#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5k s MET 2 N 0.00 4.46 0.27 4.33 1.00 -1.26 -0.97 119.30 127.13 3i5k s MET 2 Ca 0.00 1.87 0.00 0.00 0.00 0.00 0.00 55.69 57.56 3i5k s MET 2 Cb 0.00 -3.27 0.54 0.00 0.00 0.00 0.00 34.83 32.10 3i5k s MET 2 CO 0.00 -0.16 1.82 0.66 0.00 0.00 0.00 175.02 177.34 3i5k h SER 3 N 5.76 0.83 -5.01 3.03 4.64 -1.21 -3.41 113.55 118.18 3i5k h SER 3 Ca -0.44 0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 3i5k h SER 3 Cb 1.21 -0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 63.02 3i5k h SER 3 CO 0.77 0.43 -0.70 -0.31 -0.87 0.00 0.00 176.83 176.15 3i5k s TYR 4 N -5.97 0.51 0.22 4.77 2.02 -1.26 -1.02 117.35 116.62 3i5k s TYR 4 Ca -0.12 -0.80 0.09 0.00 -0.37 0.00 0.00 57.07 55.86 3i5k s TYR 4 Cb 0.22 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 41.39 3i5k s TYR 4 CO 0.80 -0.25 -0.16 -1.54 -1.57 0.00 0.00 175.55 172.83 3i5k s SER 5 N -2.30 2.78 0.02 2.29 1.04 -0.63 -4.83 113.70 112.07 3i5k s SER 5 Ca -0.02 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 55.42 3i5k s SER 5 Cb -0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 3i5k s SER 5 CO -0.05 -0.12 -0.08 0.26 0.98 0.00 0.00 173.24 174.22 3i5k s TRP 6 N -2.86 0.70 0.02 5.02 0.52 -1.26 -0.58 118.94 120.49 3i5k s TRP 6 Ca 0.24 -0.32 0.10 0.00 0.02 0.00 0.00 56.10 56.14 3i5k s TRP 6 Cb -0.02 -0.42 -0.22 0.00 -1.15 0.00 0.00 33.47 31.66 3i5k s TRP 6 CO 0.08 -0.03 0.89 1.79 0.02 0.00 0.00 176.95 179.69 3i5k h THR 7 N 4.70 1.16 0.00 2.01 1.35 -1.36 -3.48 112.91 117.28 3i5k h THR 7 Ca -0.33 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 3i5k h THR 7 Cb 1.19 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 3i5k h THR 7 CO 0.45 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.99 3i5k n GLY 8 N 1.48 2.34 3.67 5.82 0.00 -1.26 -5.09 105.19 112.15 3i5k n GLY 8 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 3i5k n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k n ALA 9 N -0.38 1.01 -1.55 4.61 0.00 -1.26 -4.95 120.51 117.99 3i5k n ALA 9 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 3i5k n ALA 9 Cb 0.00 -2.23 0.04 0.00 0.00 0.00 0.00 19.45 17.26 3i5k n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i5k s LEU 10 N -0.35 3.40 -0.28 0.00 1.02 -1.26 -4.87 118.68 116.34 3i5k s LEU 10 Ca 0.62 1.93 -0.23 0.00 0.02 0.00 0.00 54.13 56.47 3i5k s LEU 10 Cb -0.62 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.04 3i5k s LEU 10 CO 0.56 -1.50 0.77 -0.63 0.02 0.00 0.00 176.35 175.57 3i5k s ILE 11 N -2.40 4.84 0.10 -0.59 1.01 -1.26 -4.78 121.20 118.12 3i5k s ILE 11 Ca 0.66 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.64 3i5k s ILE 11 Cb -0.19 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3i5k s ILE 11 CO 0.41 -0.15 -0.11 0.42 0.00 0.00 0.00 174.94 175.51 3i5k s THR 12 N 2.84 3.31 0.76 2.92 -4.23 -1.26 -4.89 115.64 115.08 3i5k s THR 12 Ca 0.32 -1.27 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 3i5k s THR 12 Cb -0.15 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.21 3i5k s THR 12 CO 0.10 0.13 1.13 -2.16 -0.54 0.00 0.00 174.62 173.28 3i5k s PRO 13 N -2.15 2.30 -0.20 3.99 0.04 -1.26 -4.39 135.00 133.32 3i5k s PRO 13 Ca 0.21 0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.38 3i5k s PRO 13 Cb -0.11 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 3i5k s PRO 13 CO 0.13 -1.35 -0.22 0.00 0.04 0.00 0.00 177.00 175.59 3i5k s SER 15 N -6.41 5.09 0.68 0.00 1.04 -1.26 -5.10 113.70 107.74 3i5k s SER 15 Ca -0.28 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 3i5k s SER 15 Cb 0.09 -1.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.97 3i5k s SER 15 CO 0.41 0.14 0.94 -2.65 0.98 0.00 0.00 173.24 173.06 3i5k n PRO 16 N 0.29 0.65 -4.42 4.02 -0.02 -1.26 -5.01 135.00 129.24 3i5k n PRO 16 Ca -0.10 0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.43 3i5k n PRO 16 Cb 0.53 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 3i5k n PRO 16 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i5k s GLU 17 N -3.08 1.54 -0.03 -0.52 2.02 -1.26 -5.14 118.70 112.23 3i5k s GLU 17 Ca 0.74 -1.67 0.05 0.00 0.02 0.00 0.00 54.97 54.11 3i5k s GLU 17 Cb -0.37 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.27 3i5k s GLU 17 CO 0.49 0.29 -0.19 -1.21 0.02 0.00 0.00 175.26 174.66 3i5k s GLU 18 N -3.42 1.78 -0.02 1.61 2.02 -1.26 -5.04 118.70 114.38 3i5k s GLU 18 Ca 0.26 -0.70 0.18 0.00 0.02 0.00 0.00 54.97 54.73 3i5k s GLU 18 Cb -0.04 -1.63 -0.26 0.00 0.10 0.00 0.00 34.13 32.30 3i5k s GLU 18 CO 0.12 0.35 0.44 -0.85 0.02 0.00 0.00 175.26 175.34 3i5k n GLU 19 N 2.84 0.65 -4.38 1.61 0.28 -1.26 -4.48 120.64 115.89 3i5k n GLU 19 Ca -0.16 -0.14 -0.35 0.00 -0.16 0.00 0.00 57.16 56.35 3i5k n GLU 19 Cb 0.53 -1.41 -0.10 0.00 1.43 0.00 0.00 31.44 31.90 3i5k n GLU 19 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3i5k s LYS 20 N -3.15 3.04 0.03 3.44 1.02 -1.26 -0.62 119.74 122.23 3i5k s LYS 20 Ca -0.05 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3i5k s LYS 20 Cb 0.12 -2.80 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 3i5k s LYS 20 CO 0.73 0.66 1.66 -1.17 -0.92 0.00 0.00 175.35 176.31 3i5k s LEU 21 N -0.77 4.35 0.20 3.17 2.96 -1.22 -4.93 118.68 122.44 3i5k s LEU 21 Ca 0.12 2.40 -0.30 0.00 -0.22 0.00 0.00 54.13 56.13 3i5k s LEU 21 Cb -0.11 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 3i5k s LEU 21 CO 0.02 -0.90 1.30 -2.84 -1.32 0.00 0.00 176.35 172.61 3i5k s PRO 22 N 3.13 4.40 -0.20 0.98 0.02 -1.26 -4.85 135.00 137.22 3i5k s PRO 22 Ca 0.74 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 63.52 3i5k s PRO 22 Cb -0.38 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 30.95 3i5k s PRO 22 CO 0.32 -0.24 0.99 -1.50 -0.33 0.00 0.00 177.00 176.24 3i5k s ILE 23 N 0.07 4.74 -0.18 2.83 1.10 -1.26 -4.92 121.20 123.58 3i5k s ILE 23 Ca 0.56 1.94 -0.21 0.00 -0.51 0.00 0.00 60.65 62.43 3i5k s ILE 23 Cb -0.36 -4.27 0.05 0.00 0.15 0.00 0.00 42.46 38.03 3i5k s ILE 23 CO 0.38 -0.11 0.56 0.21 -2.11 0.00 0.00 174.94 173.88 3i5k s ASN 24 N 1.19 -0.57 0.30 4.50 3.84 -1.26 -5.04 114.94 117.90 3i5k s ASN 24 Ca 0.43 1.01 -0.02 0.00 0.21 0.00 0.00 52.86 54.49 3i5k s ASN 24 Cb -0.16 1.02 0.45 0.00 -0.55 0.00 0.00 41.25 42.01 3i5k s ASN 24 CO 0.09 -0.27 1.96 -0.65 -2.79 0.00 0.00 177.10 175.44 3i5k h PRO 25 N 4.84 1.08 -0.08 0.43 0.11 -1.97 0.37 132.00 136.79 3i5k h PRO 25 Ca -0.28 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3i5k h PRO 25 Cb 1.17 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i5k h PRO 25 CO 0.20 0.72 0.03 -0.07 -0.21 0.00 0.00 178.00 178.66 3i5k h LEU 26 N 1.12 0.12 0.01 2.35 3.38 -1.98 -2.72 115.31 117.59 3i5k h LEU 26 Ca 0.32 -0.20 -0.27 0.00 0.09 0.00 0.00 57.88 57.82 3i5k h LEU 26 Cb -0.08 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3i5k h LEU 26 CO -0.08 0.29 -1.14 0.77 0.09 0.00 0.00 178.44 178.37 3i5k h SER 27 N -0.05 0.61 -0.05 -0.43 4.64 -1.79 -3.22 113.55 113.27 3i5k h SER 27 Ca 0.03 -0.57 0.02 0.00 -0.47 0.00 0.00 61.79 60.80 3i5k h SER 27 Cb 0.21 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3i5k h SER 27 CO -0.00 1.39 0.06 -1.13 -0.87 0.00 0.00 176.83 176.28 3i5k h ASN 28 N 0.20 0.00 1.23 4.97 -0.73 -0.31 -0.36 115.58 120.58 3i5k h ASN 28 Ca -0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.04 3i5k h ASN 28 Cb 1.81 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.40 3i5k h ASN 28 CO 0.20 0.00 -0.13 -1.54 -0.37 0.00 0.00 177.43 175.59 3i5k n SER 29 N -3.80 0.62 -0.08 1.15 3.41 -1.03 -3.36 113.62 110.53 3i5k n SER 29 Ca -0.02 0.44 -0.16 0.00 -0.26 0.00 0.00 58.87 58.87 3i5k n SER 29 Cb 0.15 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 3i5k n SER 29 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i5k h LEU 30 N 0.00 0.00 -7.36 1.04 5.85 -1.21 -3.43 115.31 110.19 3i5k h LEU 30 Ca 0.00 -0.81 -0.14 0.00 0.84 0.00 0.00 57.88 57.78 3i5k h LEU 30 Cb 0.68 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.47 3i5k h LEU 30 CO 0.00 1.16 -0.30 -1.48 -0.34 0.00 0.00 178.44 177.49 3i5k s LEU 31 N -8.10 0.62 0.04 2.25 0.05 -0.66 -4.12 118.68 108.75 3i5k s LEU 31 Ca -0.22 0.72 0.14 0.00 0.05 0.00 0.00 54.13 54.83 3i5k s LEU 31 Cb 0.00 1.23 -0.17 0.00 -2.05 0.00 0.00 46.19 45.21 3i5k s LEU 31 CO 0.64 -0.13 0.83 0.03 -0.55 0.00 0.00 176.35 177.18 3i5k h ARG 32 N 5.60 0.00 -3.67 1.48 3.08 -0.78 -3.36 114.38 116.73 3i5k h ARG 32 Ca -0.27 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.04 3i5k h ARG 32 Cb 1.18 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 3i5k h ARG 32 CO 0.28 0.43 2.14 0.66 -1.07 0.00 0.00 179.97 182.41 3i5k n TYR 33 N -3.01 3.16 0.23 3.04 4.01 -0.58 -4.73 117.16 119.28 3i5k n TYR 33 Ca -0.11 -2.85 0.08 0.00 -0.16 0.00 0.00 57.90 54.86 3i5k n TYR 33 Cb 0.93 -2.05 0.55 0.00 -0.31 0.00 0.00 39.34 38.46 3i5k n TYR 33 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3i5k h HIS 34 N 5.88 0.00 0.00 -0.72 2.07 -1.85 -2.27 115.15 118.26 3i5k h HIS 34 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 3i5k h HIS 34 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3i5k h HIS 34 CO 1.27 0.21 0.00 -0.91 -3.07 0.00 0.00 177.93 175.44 3i5k h ASN 35 N 0.00 0.00 1.36 3.10 2.35 -1.88 -2.34 115.58 118.16 3i5k h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i5k h ASN 35 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3i5k h ASN 35 CO 0.03 0.00 -0.31 0.11 -1.65 0.00 0.00 177.43 175.60 3i5k h LYS 36 N 0.00 0.00 -5.43 0.81 1.57 -1.81 -3.45 116.57 108.25 3i5k h LYS 36 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3i5k h LYS 36 Cb 0.32 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.52 3i5k h LYS 36 CO 0.00 0.00 -0.37 0.08 -0.57 0.00 0.00 179.45 178.59 3i5k s VAL 37 N -3.18 5.34 0.12 0.50 1.01 -0.88 -0.21 120.40 123.10 3i5k s VAL 37 Ca 0.07 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.52 3i5k s VAL 37 Cb 0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3i5k s VAL 37 CO 0.68 0.41 -0.07 -0.72 0.00 0.00 0.00 175.10 175.39 3i5k s TYR 38 N 0.41 1.04 -0.09 5.22 -0.85 -0.62 -3.40 117.35 119.06 3i5k s TYR 38 Ca 0.14 -0.87 0.02 0.00 -0.52 0.00 0.00 57.07 55.84 3i5k s TYR 38 Cb -0.12 -0.57 -0.02 0.00 0.38 0.00 0.00 41.96 41.63 3i5k s TYR 38 CO 0.02 -0.08 -0.16 0.00 -1.52 0.00 0.00 175.55 173.81 3i5k s THR 40 N -0.13 3.16 0.27 0.00 -4.23 0.73 -4.44 115.64 111.00 3i5k s THR 40 Ca -0.02 1.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.67 3i5k s THR 40 Cb -0.14 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 3i5k s THR 40 CO 0.04 0.27 0.18 0.42 -0.54 0.00 0.00 174.62 174.98 3i5k s THR 41 N -1.17 0.10 -0.08 3.99 -4.23 -1.26 -3.84 115.64 109.14 3i5k s THR 41 Ca 0.47 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.18 3i5k s THR 41 Cb -0.35 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.19 3i5k s THR 41 CO 0.46 0.00 1.59 0.77 -0.54 0.00 0.00 174.62 176.89 3i5k h SER 42 N 2.36 0.00 -0.45 3.99 4.64 -1.89 -2.03 113.55 120.18 3i5k h SER 42 Ca -0.32 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3i5k h SER 42 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3i5k h SER 42 CO 0.48 0.00 0.30 0.50 -0.87 0.00 0.00 176.83 177.24 3i5k h LYS 43 N 0.00 0.32 -0.56 4.77 3.64 -1.96 -1.88 116.57 120.90 3i5k h LYS 43 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3i5k h LYS 43 Cb 0.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i5k h LYS 43 CO 0.00 0.21 0.00 -1.13 -2.27 0.00 0.00 179.45 176.26 3i5k n SER 44 N -4.47 4.47 -0.19 4.20 3.41 -0.76 -4.62 113.62 115.66 3i5k n SER 44 Ca 0.06 -2.49 -0.09 0.00 -0.26 0.00 0.00 58.87 56.09 3i5k n SER 44 Cb 0.28 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.71 3i5k n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i5k h ALA 45 N 3.52 0.74 -0.50 7.33 0.00 -1.47 -2.56 119.26 126.33 3i5k h ALA 45 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3i5k h ALA 45 Cb 1.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3i5k h ALA 45 CO 0.21 0.53 0.04 0.77 0.00 0.00 0.00 179.25 180.80 3i5k h SER 46 N 0.83 0.76 -0.83 0.00 0.02 -1.82 -0.10 113.55 112.42 3i5k h SER 46 Ca 0.16 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3i5k h SER 46 Cb 0.49 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3i5k h SER 46 CO 0.02 0.81 0.54 -0.61 -1.14 0.00 0.00 176.83 176.45 3i5k h GLN 47 N 0.76 1.10 -0.39 3.45 4.15 -1.83 -2.03 115.11 120.32 3i5k h GLN 47 Ca 0.15 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 3i5k h GLN 47 Cb 0.41 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3i5k h GLN 47 CO 0.01 0.74 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.46 3i5k h ARG 48 N 1.13 0.76 -0.80 1.69 9.65 -1.05 -3.05 114.38 122.72 3i5k h ARG 48 Ca 0.30 -0.29 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 3i5k h ARG 48 Cb -0.12 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.36 3i5k h ARG 48 CO -0.06 0.90 0.46 0.00 2.80 0.00 0.00 179.97 184.07 3i5k h ALA 49 N 0.84 1.11 -0.01 2.80 0.00 -0.84 -1.28 119.26 121.87 3i5k h ALA 49 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i5k h ALA 49 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3i5k h ALA 49 CO 0.04 0.13 -0.08 0.87 0.00 0.00 0.00 179.25 180.20 3i5k h LYS 50 N 0.81 -0.13 -0.65 0.00 1.79 -1.33 -2.85 116.57 114.20 3i5k h LYS 50 Ca 0.37 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 3i5k h LYS 50 Cb 0.28 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3i5k h LYS 50 CO -0.22 -0.09 0.25 -0.22 -1.08 0.00 0.00 179.45 178.10 3i5k h LYS 51 N -0.14 0.95 -0.01 3.15 3.64 -1.31 -2.96 116.57 119.90 3i5k h LYS 51 Ca 0.04 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3i5k h LYS 51 Cb 0.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3i5k h LYS 51 CO -0.09 0.78 -0.04 1.33 -2.27 0.00 0.00 179.45 179.16 3i5k n VAL 52 N -4.31 0.00 -3.59 2.00 0.24 -0.54 -4.72 118.33 107.42 3i5k n VAL 52 Ca 0.06 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 3i5k n VAL 52 Cb 0.18 0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.50 3i5k n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i5k s THR 53 N -2.14 4.61 0.27 3.34 2.01 -1.09 -4.68 115.64 117.96 3i5k s THR 53 Ca 0.38 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 3i5k s THR 53 Cb 0.21 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 69.16 3i5k s THR 53 CO 0.39 -0.24 0.70 0.72 -0.69 0.00 0.00 174.62 175.49 3i5k s PHE 54 N 1.56 -0.16 0.22 4.92 -0.12 -1.26 -4.96 117.98 118.18 3i5k s PHE 54 Ca 0.02 -0.29 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 3i5k s PHE 54 Cb -0.19 0.67 -0.08 0.00 -0.63 0.00 0.00 43.02 42.78 3i5k s PHE 54 CO 0.07 -1.21 0.97 0.34 -0.05 0.00 0.00 175.22 175.34 3i5k s ASP 55 N -2.92 7.56 -0.13 1.98 2.15 -1.26 -0.73 116.67 123.31 3i5k s ASP 55 Ca 0.12 1.97 0.00 0.00 0.43 0.00 0.00 52.55 55.07 3i5k s ASP 55 Cb -0.05 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3i5k s ASP 55 CO 0.07 0.07 -0.14 -0.13 -0.17 0.00 0.00 175.17 174.86 3i5k s ARG 56 N -0.99 3.32 0.23 4.34 3.00 -0.15 -4.95 118.95 123.77 3i5k s ARG 56 Ca 0.43 -0.72 0.10 0.00 0.00 0.00 0.00 55.73 55.55 3i5k s ARG 56 Cb -0.26 -2.60 -0.05 0.00 0.00 0.00 0.00 34.95 32.04 3i5k s ARG 56 CO 0.33 0.17 -0.13 0.95 0.00 0.00 0.00 175.30 176.61 3i5k s THR 57 N 0.46 2.88 -0.17 0.02 -4.23 -1.26 -2.68 115.64 110.66 3i5k s THR 57 Ca -0.10 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.32 3i5k s THR 57 Cb -0.16 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.28 3i5k s THR 57 CO 0.05 -0.27 0.38 -1.58 -0.54 0.00 0.00 174.62 172.66 3i5k s GLN 58 N -3.22 0.29 -0.22 3.99 0.74 -1.26 -4.12 119.66 115.85 3i5k s GLN 58 Ca 0.27 0.90 0.01 0.00 0.05 0.00 0.00 55.36 56.60 3i5k s GLN 58 Cb -0.07 0.16 0.05 0.00 1.10 0.00 0.00 33.01 34.25 3i5k s GLN 58 CO 0.15 -0.24 -0.11 0.08 -0.55 0.00 0.00 175.29 174.63 3i5k s VAL 59 N 2.27 1.82 0.17 1.34 1.01 -0.23 -5.02 120.40 121.76 3i5k s VAL 59 Ca -0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 3i5k s VAL 59 Cb -0.11 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3i5k s VAL 59 CO -0.12 0.10 0.36 -0.76 0.00 0.00 0.00 175.10 174.68 3i5k s LEU 60 N 1.30 4.26 0.00 3.92 1.43 -1.26 -4.10 118.68 124.23 3i5k s LEU 60 Ca -0.04 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3i5k s LEU 60 Cb -0.17 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 3i5k s LEU 60 CO -0.07 0.00 0.08 -0.90 0.23 0.00 0.00 176.35 175.69 3i5k n ASP 61 N -0.44 1.00 0.24 2.29 5.68 -1.26 -5.02 116.55 119.04 3i5k n ASP 61 Ca -0.05 -2.07 0.08 0.00 -0.50 0.00 0.00 54.79 52.25 3i5k n ASP 61 Cb 0.53 0.53 0.60 0.00 -1.14 0.00 0.00 41.12 41.64 3i5k n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i5k h ALA 62 N 1.34 1.60 -0.15 2.12 0.00 -1.99 -1.43 119.26 120.75 3i5k h ALA 62 Ca -0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3i5k h ALA 62 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i5k h ALA 62 CO 0.24 0.17 -0.06 0.45 0.00 0.00 0.00 179.25 180.06 3i5k h HIS 63 N 0.00 0.35 -0.16 0.00 3.86 -1.96 -1.46 115.15 115.77 3i5k h HIS 63 Ca -0.00 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3i5k h HIS 63 Cb 0.27 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3i5k h HIS 63 CO 0.00 0.62 -0.01 -0.92 0.86 0.00 0.00 177.93 178.48 3i5k h TYR 64 N -0.02 -0.03 -0.86 2.45 3.20 -1.77 -2.38 116.97 117.57 3i5k h TYR 64 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3i5k h TYR 64 Cb 0.52 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3i5k h TYR 64 CO 0.06 -0.03 0.53 -0.44 -1.64 0.00 0.00 178.16 176.64 3i5k h ASP 65 N 0.04 0.84 -0.17 -2.11 3.32 -1.21 -1.68 116.42 115.45 3i5k h ASP 65 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3i5k h ASP 65 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3i5k h ASP 65 CO -0.14 0.54 0.07 -1.28 -1.72 0.00 0.00 179.24 176.71 3i5k h SER 66 N 0.97 0.23 -0.30 6.45 0.87 -1.14 -1.69 113.55 118.94 3i5k h SER 66 Ca 0.37 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3i5k h SER 66 Cb 0.16 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3i5k h SER 66 CO -0.17 0.33 0.15 0.58 -0.53 0.00 0.00 176.83 177.19 3i5k h VAL 67 N 0.12 1.14 -0.67 2.23 2.07 -1.13 -2.42 116.25 117.60 3i5k h VAL 67 Ca 0.06 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.25 3i5k h VAL 67 Cb 0.17 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3i5k h VAL 67 CO -0.00 0.15 0.35 0.25 0.02 0.00 0.00 177.57 178.34 3i5k h LEU 68 N 0.36 0.49 -0.36 2.57 5.85 -1.26 -0.40 115.31 122.56 3i5k h LEU 68 Ca 0.11 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3i5k h LEU 68 Cb 0.09 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3i5k h LEU 68 CO -0.01 0.31 0.10 0.50 -0.34 0.00 0.00 178.44 179.00 3i5k h LYS 69 N 0.63 0.24 -0.76 1.25 3.64 -1.13 -1.03 116.57 119.41 3i5k h LYS 69 Ca 0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3i5k h LYS 69 Cb 0.26 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3i5k h LYS 69 CO -0.22 0.16 0.48 -0.44 -2.27 0.00 0.00 179.45 177.16 3i5k h ASP 70 N 0.24 0.90 -0.53 4.20 3.32 -0.89 -2.38 116.42 121.28 3i5k h ASP 70 Ca 0.17 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3i5k h ASP 70 Cb 0.16 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3i5k h ASP 70 CO -0.19 0.68 0.31 0.40 -1.72 0.00 0.00 179.24 178.72 3i5k h ILE 71 N 1.04 1.17 -0.70 0.35 2.04 -0.49 -1.03 117.51 119.88 3i5k h ILE 71 Ca 0.28 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3i5k h ILE 71 Cb -0.07 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3i5k h ILE 71 CO -0.06 0.17 0.24 0.11 0.00 0.00 0.00 178.15 178.61 3i5k h LYS 72 N 0.71 1.07 -0.35 2.37 1.57 -1.10 0.22 116.57 121.06 3i5k h LYS 72 Ca 0.19 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i5k h LYS 72 Cb 0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3i5k h LYS 72 CO -0.03 0.90 0.17 1.25 -0.57 0.00 0.00 179.45 181.17 3i5k h LEU 73 N 1.04 0.46 -0.76 2.94 5.85 -1.17 -2.10 115.31 121.57 3i5k h LEU 73 Ca 0.23 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3i5k h LEU 73 Cb 0.27 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3i5k h LEU 73 CO -0.01 0.46 0.48 0.00 -0.34 0.00 0.00 178.44 179.03 3i5k h ALA 74 N 1.02 0.96 -0.09 1.25 0.00 -0.80 -2.64 119.26 118.96 3i5k h ALA 74 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i5k h ALA 74 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i5k h ALA 74 CO -0.01 0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 3i5k h ALA 75 N 1.26 1.82 0.00 0.00 0.00 -0.36 -2.65 119.26 119.33 3i5k h ALA 75 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i5k h ALA 75 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i5k h ALA 75 CO -0.06 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 3i5k n SER 76 N -4.45 0.44 0.05 0.00 3.41 -0.81 -1.70 113.62 110.56 3i5k n SER 76 Ca -0.02 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 3i5k n SER 76 Cb 0.14 -0.72 0.49 0.00 -0.26 0.00 0.00 64.21 63.86 3i5k n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i5k n LYS 77 N -2.02 0.12 -3.09 4.33 4.76 -1.00 -4.56 118.16 116.71 3i5k n LYS 77 Ca 0.01 0.09 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 3i5k n LYS 77 Cb 0.14 -1.64 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 3i5k n LYS 77 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i5k s VAL 78 N -3.05 4.90 -0.06 -0.18 1.01 -0.69 -4.98 120.40 117.35 3i5k s VAL 78 Ca 0.12 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.57 3i5k s VAL 78 Cb 0.16 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3i5k s VAL 78 CO 0.58 0.35 -0.22 -0.94 0.00 0.00 0.00 175.10 174.87 3i5k s SER 79 N 0.16 3.37 0.14 3.32 1.04 -1.26 -0.38 113.70 120.08 3i5k s SER 79 Ca 0.35 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.38 3i5k s SER 79 Cb -0.19 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.99 3i5k s SER 79 CO 0.19 0.26 -0.05 0.00 0.98 0.00 0.00 173.24 174.62 3i5k s ALA 80 N -0.24 1.25 0.29 5.32 0.00 -0.63 -4.96 121.76 122.79 3i5k s ALA 80 Ca -0.01 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.55 3i5k s ALA 80 Cb -0.13 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3i5k s ALA 80 CO 0.03 -0.22 -0.05 -0.98 0.00 0.00 0.00 175.76 174.54 3i5k s ARG 81 N -3.83 1.60 0.30 0.00 1.70 -1.26 -4.34 118.95 113.11 3i5k s ARG 81 Ca 0.17 -1.82 -0.29 0.00 -0.47 0.00 0.00 55.73 53.32 3i5k s ARG 81 Cb 0.05 -1.21 -0.10 0.00 -0.57 0.00 0.00 34.95 33.11 3i5k s ARG 81 CO -0.00 0.03 1.35 -0.51 -1.08 0.00 0.00 175.30 175.09 3i5k s LEU 82 N -3.47 4.41 0.31 -1.89 1.43 -1.26 -4.51 118.68 113.70 3i5k s LEU 82 Ca 0.30 2.68 -0.27 0.00 -1.03 0.00 0.00 54.13 55.81 3i5k s LEU 82 Cb 0.04 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 3i5k s LEU 82 CO 0.13 -0.60 1.01 -0.76 0.23 0.00 0.00 176.35 176.36 3i5k s LEU 83 N -1.28 4.43 0.86 1.79 1.02 -0.51 -5.04 118.68 119.94 3i5k s LEU 83 Ca 0.53 2.02 -0.10 0.00 0.02 0.00 0.00 54.13 56.59 3i5k s LEU 83 Cb -0.40 -3.85 0.11 0.00 0.02 0.00 0.00 46.19 42.07 3i5k s LEU 83 CO 0.50 -0.12 1.11 0.42 0.02 0.00 0.00 176.35 178.28 3i5k s THR 84 N -1.40 2.63 0.18 5.49 -4.23 -1.26 -4.64 115.64 112.42 3i5k s THR 84 Ca 0.48 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 61.06 3i5k s THR 84 Cb -0.25 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.24 3i5k s THR 84 CO 0.31 -0.27 1.71 0.25 -0.54 0.00 0.00 174.62 176.09 3i5k h LEU 85 N -1.57 -0.03 -0.76 4.79 6.46 -1.98 -2.28 115.31 119.94 3i5k h LEU 85 Ca -0.44 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.48 3i5k h LEU 85 Cb 1.26 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 41.25 3i5k h LEU 85 CO 0.47 0.01 0.43 -0.08 -0.62 0.00 0.00 178.44 178.65 3i5k h GLU 86 N 0.21 0.72 -0.26 1.25 4.81 -1.99 -0.18 114.58 119.14 3i5k h GLU 86 Ca 0.24 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3i5k h GLU 86 Cb 0.32 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3i5k h GLU 86 CO -0.32 0.48 -0.42 0.93 -0.73 0.00 0.00 179.01 178.94 3i5k h GLU 87 N 0.74 0.64 -0.32 1.92 5.08 -1.86 -2.10 114.58 118.68 3i5k h GLU 87 Ca 0.36 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3i5k h GLU 87 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3i5k h GLU 87 CO -0.23 0.95 0.05 0.00 -1.00 0.00 0.00 179.01 178.78 3i5k h ALA 88 N 1.01 0.43 -0.78 3.43 0.00 -0.99 -2.88 119.26 119.47 3i5k h ALA 88 Ca 0.04 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3i5k h ALA 88 Cb 0.95 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3i5k h ALA 88 CO 0.09 0.14 0.46 0.00 0.00 0.00 0.00 179.25 179.94 3i5k h GLN 90 N 0.83 0.00 -0.00 0.00 1.08 -1.18 -2.15 115.11 113.69 3i5k h GLN 90 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3i5k h GLN 90 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3i5k h GLN 90 CO -0.19 0.00 -0.28 1.28 -0.95 0.00 0.00 178.83 178.68 3i5k n LEU 91 N -2.47 0.42 -4.68 1.46 4.77 -1.02 -4.81 117.00 110.67 3i5k n LEU 91 Ca 0.02 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3i5k n LEU 91 Cb 0.28 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3i5k n LEU 91 CO 0.23 0.09 1.10 -0.89 -1.33 0.00 0.00 177.39 176.60 3i5k s THR 92 N -2.86 3.98 0.48 -5.08 2.01 -0.81 -0.08 115.64 113.29 3i5k s THR 92 Ca 0.16 1.28 -0.24 0.00 0.31 0.00 0.00 61.69 63.20 3i5k s THR 92 Cb 0.18 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 3i5k s THR 92 CO 0.60 -0.05 1.39 -2.84 -0.69 0.00 0.00 174.62 173.03 3i5k s PRO 93 N 2.89 3.50 0.46 4.92 0.02 -1.26 -4.78 135.00 140.75 3i5k s PRO 93 Ca 0.61 2.33 0.27 0.00 0.02 0.00 0.00 61.00 64.23 3i5k s PRO 93 Cb -0.27 -2.51 1.33 0.00 0.02 0.00 0.00 34.50 33.06 3i5k s PRO 93 CO 0.22 -0.93 1.77 -1.35 -0.33 0.00 0.00 177.00 176.38 3i5k h PRO 94 N 2.02 0.19 -0.21 5.54 0.11 -1.95 -2.42 132.00 135.29 3i5k h PRO 94 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i5k h PRO 94 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i5k h PRO 94 CO 0.60 0.13 0.00 0.72 -0.21 0.00 0.00 178.00 179.23 3i5k n HIS 95 N -4.44 0.69 -1.57 0.65 8.25 -1.26 -4.36 115.22 113.18 3i5k n HIS 95 Ca 0.27 -0.87 -0.47 0.00 -0.26 0.00 0.00 57.72 56.39 3i5k n HIS 95 Cb 1.10 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.92 3i5k n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i5k n SER 96 N -0.63 1.19 -4.66 0.41 2.88 -0.91 -4.77 113.62 107.12 3i5k n SER 96 Ca 0.19 1.15 -0.58 0.00 -1.33 0.00 0.00 58.87 58.30 3i5k n SER 96 Cb 0.79 -1.22 -0.07 0.00 -0.75 0.00 0.00 64.21 62.96 3i5k n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5k n ALA 97 N 1.04 -1.04 -1.04 -1.46 0.00 -1.26 -4.09 120.51 112.66 3i5k n ALA 97 Ca 0.14 0.47 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 3i5k n ALA 97 Cb 0.27 -2.07 0.12 0.00 0.00 0.00 0.00 19.45 17.77 3i5k n ALA 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3i5k s ARG 98 N 2.20 1.69 0.50 0.00 1.70 -1.26 -4.47 118.95 119.31 3i5k s ARG 98 Ca 0.95 1.50 -0.19 0.00 -0.47 0.00 0.00 55.73 57.52 3i5k s ARG 98 Cb -1.14 -1.81 -0.08 0.00 -0.57 0.00 0.00 34.95 31.35 3i5k s ARG 98 CO 0.63 -2.12 1.03 0.45 -1.08 0.00 0.00 175.30 174.21 3i5k s SER 99 N -2.69 6.28 0.55 -2.89 0.15 0.12 -4.63 113.70 110.59 3i5k s SER 99 Ca 0.67 1.88 0.36 0.00 0.70 0.00 0.00 55.95 59.56 3i5k s SER 99 Cb -0.23 -2.55 1.77 0.00 -1.71 0.00 0.00 66.02 63.30 3i5k s SER 99 CO 0.53 -0.82 2.09 0.50 1.20 0.00 0.00 173.24 176.74 3i5k h LYS 100 N 1.35 0.00 -0.81 5.44 3.64 -1.95 -3.30 116.57 120.94 3i5k h LYS 100 Ca -0.49 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.44 3i5k h LYS 100 Cb 1.22 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.78 3i5k h LYS 100 CO 0.59 0.00 0.43 0.66 -2.27 0.00 0.00 179.45 178.86 3i5k n TYR 101 N -2.90 2.55 -0.86 1.91 4.01 -1.26 -4.91 117.16 115.70 3i5k n TYR 101 Ca -0.01 -1.98 0.00 0.00 -0.16 0.00 0.00 57.90 55.75 3i5k n TYR 101 Cb 0.16 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 3i5k n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i5k n GLY 102 N -1.09 0.70 3.32 2.72 0.00 -1.24 -4.98 105.19 104.61 3i5k n GLY 102 Ca 0.53 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 3i5k n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i5k s PHE 103 N -2.00 -0.22 0.00 1.61 -0.12 -1.26 -4.98 117.98 111.01 3i5k s PHE 103 Ca 0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 3i5k s PHE 103 Cb 0.00 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 3i5k s PHE 103 CO 0.00 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.91 3i5k n GLY 104 N -0.03 5.16 0.34 1.99 0.00 -1.26 0.13 105.19 111.52 3i5k n GLY 104 Ca -0.17 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 43.96 3i5k n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k h ALA 105 N 1.00 1.70 -0.22 4.61 0.00 -1.83 -1.95 119.26 122.57 3i5k h ALA 105 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i5k h ALA 105 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i5k h ALA 105 CO 0.00 0.21 0.14 -0.22 0.00 0.00 0.00 179.25 179.38 3i5k h LYS 106 N 0.71 0.30 -0.19 0.00 1.63 -1.91 -0.26 116.57 116.86 3i5k h LYS 106 Ca 0.27 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.95 3i5k h LYS 106 Cb 0.16 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3i5k h LYS 106 CO -0.08 0.23 -0.27 0.93 -3.45 0.00 0.00 179.45 176.82 3i5k h GLU 107 N 0.28 0.35 0.10 1.90 3.07 -1.87 -2.18 114.58 116.23 3i5k h GLU 107 Ca 0.08 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3i5k h GLU 107 Cb 0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3i5k h GLU 107 CO -0.02 0.60 -0.05 0.28 -1.40 0.00 0.00 179.01 178.42 3i5k h VAL 108 N 0.31 1.01 0.00 3.13 2.07 -1.00 -1.04 116.25 120.74 3i5k h VAL 108 Ca 0.05 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3i5k h VAL 108 Cb 0.64 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3i5k h VAL 108 CO 0.05 0.10 -0.14 0.03 0.02 0.00 0.00 177.57 177.63 3i5k h ARG 109 N -0.32 0.00 -0.69 1.57 3.08 -0.95 -1.89 114.38 115.18 3i5k h ARG 109 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i5k h ARG 109 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3i5k h ARG 109 CO 0.02 0.14 0.00 -1.13 -1.07 0.00 0.00 179.97 177.93 3i5k n SER 110 N -3.74 3.92 -3.98 7.04 3.41 -0.83 -4.85 113.62 114.58 3i5k n SER 110 Ca -0.02 -2.09 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 3i5k n SER 110 Cb 0.24 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3i5k n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i5k n LEU 111 N 1.44 -2.32 -4.71 1.04 4.77 -0.71 -4.93 117.00 111.58 3i5k n LEU 111 Ca 0.24 -0.89 -0.34 0.00 -0.03 0.00 0.00 56.01 54.99 3i5k n LEU 111 Cb 0.65 -2.38 0.11 0.00 -2.33 0.00 0.00 43.42 39.46 3i5k n LEU 111 CO 0.17 0.41 0.79 -0.94 -1.33 0.00 0.00 177.39 176.49 3i5k s SER 112 N -3.60 3.94 0.13 -1.43 1.04 -0.42 -4.79 113.70 108.58 3i5k s SER 112 Ca 0.51 2.36 -0.19 0.00 0.48 0.00 0.00 55.95 59.11 3i5k s SER 112 Cb -0.26 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.22 3i5k s SER 112 CO 0.87 -2.43 1.78 1.23 0.98 0.00 0.00 173.24 175.66 3i5k h GLY 113 N -0.55 0.35 0.91 7.32 0.00 -1.91 -0.85 103.07 108.33 3i5k h GLY 113 Ca -0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3i5k h GLY 113 CO 0.48 0.13 -0.01 -0.09 0.00 0.00 0.00 176.54 177.05 3i5k h ARG 114 N 0.33 -0.02 0.00 4.80 2.43 -1.96 -1.01 114.38 118.95 3i5k h ARG 114 Ca 0.09 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3i5k h ARG 114 Cb -0.03 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3i5k h ARG 114 CO -0.02 0.08 -0.20 0.00 -1.51 0.00 0.00 179.97 178.32 3i5k h ALA 115 N 0.87 -0.26 -0.59 2.80 0.00 -1.85 -1.80 119.26 118.42 3i5k h ALA 115 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i5k h ALA 115 Cb 0.11 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3i5k h ALA 115 CO 0.00 -0.70 0.21 0.28 0.00 0.00 0.00 179.25 179.04 3i5k h VAL 116 N -0.33 1.23 -0.57 0.00 2.07 -1.04 -0.61 116.25 117.01 3i5k h VAL 116 Ca 0.06 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3i5k h VAL 116 Cb 0.40 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3i5k h VAL 116 CO -0.19 0.29 0.13 0.78 0.02 0.00 0.00 177.57 178.61 3i5k h ASN 117 N 0.82 0.87 -0.39 0.57 2.35 -1.14 -1.08 115.58 117.59 3i5k h ASN 117 Ca 0.19 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3i5k h ASN 117 Cb 0.24 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3i5k h ASN 117 CO -0.01 0.88 0.11 -0.74 -1.65 0.00 0.00 177.43 176.03 3i5k h HIS 118 N 0.82 0.64 -0.85 1.19 2.76 -1.09 -2.04 115.15 116.58 3i5k h HIS 118 Ca 0.18 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3i5k h HIS 118 Cb 0.36 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 3i5k h HIS 118 CO 0.03 0.61 0.50 0.82 -1.30 0.00 0.00 177.93 178.58 3i5k h ILE 119 N 0.49 1.24 -0.55 6.26 2.04 -0.94 -0.35 117.51 125.69 3i5k h ILE 119 Ca 0.12 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3i5k h ILE 119 Cb 0.27 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3i5k h ILE 119 CO -0.00 0.26 0.24 0.11 0.00 0.00 0.00 178.15 178.76 3i5k h LYS 120 N 1.18 0.78 -0.20 2.37 1.57 -1.10 -1.65 116.57 119.51 3i5k h LYS 120 Ca 0.30 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 3i5k h LYS 120 Cb -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3i5k h LYS 120 CO -0.05 0.63 -0.49 1.03 -0.57 0.00 0.00 179.45 180.00 3i5k h SER 121 N 0.78 0.59 -0.38 0.86 0.87 -0.56 -2.17 113.55 113.54 3i5k h SER 121 Ca 0.19 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 3i5k h SER 121 Cb 0.12 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3i5k h SER 121 CO -0.02 0.98 -0.35 0.58 -0.53 0.00 0.00 176.83 177.49 3i5k h VAL 122 N 0.43 1.28 -0.25 2.23 2.07 -0.75 -2.56 116.25 118.70 3i5k h VAL 122 Ca 0.02 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 3i5k h VAL 122 Cb 1.01 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3i5k h VAL 122 CO 0.09 0.51 0.08 -0.25 0.02 0.00 0.00 177.57 178.02 3i5k h TRP 123 N 0.72 0.41 -0.88 1.57 2.91 -1.26 -1.55 115.95 117.86 3i5k h TRP 123 Ca 0.06 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3i5k h TRP 123 Cb 0.94 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.43 3i5k h TRP 123 CO 0.06 0.46 0.51 -0.22 -1.03 0.00 0.00 178.44 178.22 3i5k h LYS 124 N 0.24 1.21 -0.55 2.65 3.64 -1.39 -1.86 116.57 120.51 3i5k h LYS 124 Ca 0.08 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3i5k h LYS 124 Cb 0.24 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3i5k h LYS 124 CO -0.00 0.87 0.09 0.22 -2.27 0.00 0.00 179.45 178.36 3i5k h ASP 125 N 1.22 0.82 -0.83 4.20 3.58 -1.31 -1.27 116.42 122.83 3i5k h ASP 125 Ca 0.31 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.64 3i5k h ASP 125 Cb -0.01 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 40.77 3i5k h ASP 125 CO -0.05 0.82 0.55 -0.07 -2.88 0.00 0.00 179.24 177.61 3i5k h LEU 126 N 0.82 0.87 -0.64 2.28 3.38 -0.60 0.23 115.31 121.66 3i5k h LEU 126 Ca 0.17 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3i5k h LEU 126 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i5k h LEU 126 CO 0.01 0.59 -0.59 -0.07 0.09 0.00 0.00 178.44 178.47 3i5k h LEU 127 N 1.01 0.00 0.00 1.67 3.38 -0.58 -3.32 115.31 117.47 3i5k h LEU 127 Ca 0.34 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.02 3i5k h LEU 127 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3i5k h LEU 127 CO -0.10 0.59 -1.78 1.21 0.09 0.00 0.00 178.44 178.44 3i5k n GLU 128 N -3.61 0.64 -3.95 1.13 2.13 -0.56 -4.85 120.64 111.58 3i5k n GLU 128 Ca -0.00 0.23 -0.31 0.00 0.66 0.00 0.00 57.16 57.74 3i5k n GLU 128 Cb 0.64 -1.75 -0.15 0.00 0.27 0.00 0.00 31.44 30.45 3i5k n GLU 128 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3i5k s ASP 129 N -5.92 3.99 -0.01 4.31 2.15 0.03 -4.98 116.67 116.23 3i5k s ASP 129 Ca -0.05 -1.29 0.19 0.00 0.43 0.00 0.00 52.55 51.83 3i5k s ASP 129 Cb 0.08 -1.23 0.56 0.00 -0.30 0.00 0.00 42.92 42.03 3i5k s ASP 129 CO 0.83 -0.25 1.47 -0.81 -0.17 0.00 0.00 175.17 176.23 3i5k n PRO 130 N 4.63 2.56 -0.00 4.34 -0.04 -1.26 -4.63 135.00 140.60 3i5k n PRO 130 Ca -0.11 -2.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.04 3i5k n PRO 130 Cb 0.44 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 3i5k n PRO 130 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i5k n GLN 131 N 1.29 0.09 -1.74 0.54 -0.06 -1.26 -4.48 117.38 111.75 3i5k n GLN 131 Ca 0.21 0.04 -0.42 0.00 -2.00 0.00 0.00 57.00 54.83 3i5k n GLN 131 Cb 0.56 -0.65 -0.03 0.00 -4.06 0.00 0.00 30.24 26.06 3i5k n GLN 131 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3i5k s THR 132 N -2.11 3.15 0.34 1.69 2.01 -1.26 -4.61 115.64 114.84 3i5k s THR 132 Ca -0.06 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.85 3i5k s THR 132 Cb 0.02 -3.12 -0.13 0.00 0.01 0.00 0.00 72.50 69.28 3i5k s THR 132 CO 0.07 -0.03 1.06 -2.65 -0.69 0.00 0.00 174.62 172.39 3i5k n PRO 133 N 7.67 1.51 -3.51 4.92 -0.02 -1.26 -4.71 135.00 139.60 3i5k n PRO 133 Ca 0.21 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 3i5k n PRO 133 Cb 0.42 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3i5k n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i5k s ILE 134 N -1.13 5.27 0.46 4.25 1.01 0.24 -4.96 121.20 126.34 3i5k s ILE 134 Ca 0.59 0.63 -0.25 0.00 0.00 0.00 0.00 60.65 61.62 3i5k s ILE 134 Cb -0.63 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 3i5k s ILE 134 CO 0.60 0.40 1.37 -2.84 0.00 0.00 0.00 174.94 174.47 3i5k s PRO 135 N 0.32 3.66 0.25 2.79 0.02 -1.26 -4.44 135.00 136.34 3i5k s PRO 135 Ca 0.19 2.29 0.09 0.00 0.02 0.00 0.00 61.00 63.58 3i5k s PRO 135 Cb -0.14 -2.59 -0.05 0.00 0.02 0.00 0.00 34.50 31.74 3i5k s PRO 135 CO 0.06 -0.80 -0.14 0.95 -0.33 0.00 0.00 177.00 176.74 3i5k s THR 136 N -1.25 1.98 -0.12 0.99 -4.23 -0.79 -4.33 115.64 107.90 3i5k s THR 136 Ca 0.62 -2.25 -0.04 0.00 -1.18 0.00 0.00 61.69 58.84 3i5k s THR 136 Cb -0.41 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 3i5k s THR 136 CO 0.52 -0.44 0.03 -0.89 -0.54 0.00 0.00 174.62 173.30 3i5k s THR 137 N -2.82 4.55 -0.20 3.99 2.01 -0.06 -0.66 115.64 122.44 3i5k s THR 137 Ca 0.27 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3i5k s THR 137 Cb -0.01 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3i5k s THR 137 CO 0.11 0.57 0.07 -0.51 -0.69 0.00 0.00 174.62 174.17 3i5k s ILE 138 N -0.55 4.68 0.12 1.82 2.07 -0.48 -1.68 121.20 127.18 3i5k s ILE 138 Ca 0.10 -0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.35 3i5k s ILE 138 Cb -0.12 -3.14 -0.04 0.00 0.13 0.00 0.00 42.46 39.30 3i5k s ILE 138 CO 0.02 0.42 -0.18 -0.04 -1.91 0.00 0.00 174.94 173.25 3i5k s MET 139 N 0.77 1.11 -0.15 3.50 -1.94 0.16 -4.45 119.30 118.29 3i5k s MET 139 Ca 0.04 -1.22 -0.22 0.00 -1.71 0.00 0.00 55.69 52.57 3i5k s MET 139 Cb -0.13 -1.21 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 3i5k s MET 139 CO 0.02 0.26 0.67 0.00 -0.01 0.00 0.00 175.02 175.96 3i5k s ALA 140 N -1.63 3.48 0.20 3.03 0.00 -1.26 -0.43 121.76 125.14 3i5k s ALA 140 Ca 0.09 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 3i5k s ALA 140 Cb -0.08 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 3i5k s ALA 140 CO 0.04 -0.40 1.20 0.15 0.00 0.00 0.00 175.76 176.75 3i5k s LYS 141 N 1.53 4.49 -0.61 0.00 1.02 -0.08 -4.72 119.74 121.38 3i5k s LYS 141 Ca 0.32 1.89 -0.16 0.00 0.02 0.00 0.00 55.97 58.04 3i5k s LYS 141 Cb -0.16 -3.23 0.14 0.00 -0.52 0.00 0.00 37.83 34.06 3i5k s LYS 141 CO 0.13 -0.07 0.61 -0.80 -0.92 0.00 0.00 175.35 174.29 3i5k s ASN 142 N 0.03 6.30 0.10 2.83 0.02 -1.26 -4.36 114.94 118.61 3i5k s ASN 142 Ca 0.52 -1.87 0.09 0.00 -1.02 0.00 0.00 52.86 50.58 3i5k s ASN 142 Cb -0.33 -2.24 -0.03 0.00 0.02 0.00 0.00 41.25 38.67 3i5k s ASN 142 CO 0.38 -0.88 -0.22 -1.61 0.02 0.00 0.00 177.10 174.79 3i5k s GLU 143 N 1.64 1.22 -0.14 -0.60 2.02 -1.25 -4.86 118.70 116.73 3i5k s GLU 143 Ca 0.08 -1.16 -0.06 0.00 0.02 0.00 0.00 54.97 53.86 3i5k s GLU 143 Cb -0.25 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 3i5k s GLU 143 CO 0.01 0.36 0.06 0.08 0.02 0.00 0.00 175.26 175.79 3i5k s VAL 144 N -1.09 4.76 0.19 2.63 1.01 -1.26 -0.19 120.40 126.45 3i5k s VAL 144 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3i5k s VAL 144 Cb -0.10 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3i5k s VAL 144 CO 0.04 0.53 0.10 -0.36 0.00 0.00 0.00 175.10 175.42 3i5k s PHE 145 N -0.26 1.15 -0.03 5.22 0.08 -0.64 -4.72 117.98 118.78 3i5k s PHE 145 Ca 0.08 -1.31 -0.13 0.00 0.12 0.00 0.00 56.93 55.69 3i5k s PHE 145 Cb -0.12 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 3i5k s PHE 145 CO 0.02 -0.56 0.34 0.00 -0.10 0.00 0.00 175.22 174.92 3i5k n VAL 147 N 1.88 1.82 -3.89 0.00 0.24 0.71 -4.98 118.33 114.10 3i5k n VAL 147 Ca -0.15 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 3i5k n VAL 147 Cb 0.53 -1.93 -0.15 0.00 -1.47 0.00 0.00 33.84 30.82 3i5k n VAL 147 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i5k s ASP 148 N -0.03 4.39 0.25 -1.34 -1.08 -0.90 -5.00 116.67 112.95 3i5k s ASP 148 Ca 0.55 -2.11 -0.05 0.00 -0.52 0.00 0.00 52.55 50.42 3i5k s ASP 148 Cb -0.49 -1.33 0.27 0.00 -1.46 0.00 0.00 42.92 39.91 3i5k s ASP 148 CO 0.61 -0.37 1.84 1.55 0.52 0.00 0.00 175.17 179.32 3i5k h PRO 149 N 7.59 1.11 -0.87 4.34 0.13 -1.94 -1.16 132.00 141.20 3i5k h PRO 149 Ca -0.07 -0.17 0.17 0.00 -0.87 0.00 0.00 66.00 65.06 3i5k h PRO 149 Cb 1.00 -0.20 -0.07 0.00 0.13 0.00 0.00 31.00 31.86 3i5k h PRO 149 CO 0.52 0.87 0.57 0.00 -0.23 0.00 0.00 178.00 179.72 3i5k h ALA 150 N 1.28 2.02 -0.79 -0.56 0.00 -1.95 -2.82 119.26 116.44 3i5k h ALA 150 Ca 0.26 0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.65 3i5k h ALA 150 Cb 0.14 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 17.53 3i5k h ALA 150 CO -0.03 -0.28 -0.02 1.63 0.00 0.00 0.00 179.25 180.55 3i5k n LYS 151 N -4.53 2.95 -0.98 0.00 5.02 -0.73 -4.93 118.16 114.96 3i5k n LYS 151 Ca 0.18 -3.65 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 3i5k n LYS 151 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3i5k n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i5k n GLY 152 N -0.87 0.65 6.87 0.72 0.00 -1.06 -4.77 105.19 106.73 3i5k n GLY 152 Ca 0.50 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3i5k n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 153 N -2.11 1.73 3.61 -0.02 0.00 -0.52 -4.85 105.19 103.04 3i5k n GLY 153 Ca 0.00 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3i5k n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5k s LYS 154 N 0.00 2.99 0.21 1.61 1.02 -1.26 -2.12 119.74 122.19 3i5k s LYS 154 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 3i5k s LYS 154 Cb 0.00 -2.73 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 3i5k s LYS 154 CO 0.00 0.61 0.97 0.15 -0.92 0.00 0.00 175.35 176.17 3i5k s LYS 155 N -0.65 4.78 0.61 1.68 1.02 -1.26 -5.06 119.74 120.86 3i5k s LYS 155 Ca 0.10 1.53 -0.17 0.00 0.02 0.00 0.00 55.97 57.46 3i5k s LYS 155 Cb -0.12 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 3i5k s LYS 155 CO 0.02 0.39 1.13 -1.25 -0.92 0.00 0.00 175.35 174.72 3i5k s PRO 156 N -0.91 2.99 0.29 -1.68 0.04 -1.26 -4.84 135.00 129.63 3i5k s PRO 156 Ca 0.43 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 3i5k s PRO 156 Cb -0.26 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 3i5k s PRO 156 CO 0.33 -1.12 1.18 0.00 0.04 0.00 0.00 177.00 177.42 3i5k n ALA 157 N -1.96 0.43 -1.61 8.56 0.00 -1.26 -4.95 120.51 119.73 3i5k n ALA 157 Ca 0.11 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 3i5k n ALA 157 Cb 0.51 -2.14 0.03 0.00 0.00 0.00 0.00 19.45 17.85 3i5k n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i5k s ARG 158 N -1.38 3.10 -0.16 0.00 0.52 -1.26 -4.67 118.95 115.11 3i5k s ARG 158 Ca 0.60 1.29 -0.06 0.00 -0.52 0.00 0.00 55.73 57.04 3i5k s ARG 158 Cb -0.66 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 3i5k s ARG 158 CO 0.58 -0.99 0.05 -0.51 0.02 0.00 0.00 175.30 174.45 3i5k s LEU 159 N -4.64 3.76 -0.16 2.53 1.43 -1.26 -0.90 118.68 119.44 3i5k s LEU 159 Ca 0.65 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 3i5k s LEU 159 Cb -0.18 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3i5k s LEU 159 CO 0.39 0.23 -0.11 -0.51 0.23 0.00 0.00 176.35 176.57 3i5k s ILE 160 N 0.05 3.08 -0.20 -0.59 1.10 0.43 -4.83 121.20 120.24 3i5k s ILE 160 Ca 0.05 -0.63 -0.00 0.00 -0.51 0.00 0.00 60.65 59.56 3i5k s ILE 160 Cb -0.12 -2.32 0.02 0.00 0.15 0.00 0.00 42.46 40.18 3i5k s ILE 160 CO 0.01 0.50 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.49 3i5k s VAL 161 N 0.69 2.38 -0.01 4.00 1.01 -1.26 -0.67 120.40 126.55 3i5k s VAL 161 Ca -0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 3i5k s VAL 161 Cb -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3i5k s VAL 161 CO 0.02 0.47 0.25 -0.72 0.00 0.00 0.00 175.10 175.13 3i5k s TYR 162 N 1.32 -0.11 0.73 5.22 -0.85 -0.68 -0.43 117.35 122.56 3i5k s TYR 162 Ca 0.04 0.13 -0.05 0.00 -0.52 0.00 0.00 57.07 56.67 3i5k s TYR 162 Cb -0.14 0.05 0.10 0.00 0.38 0.00 0.00 41.96 42.35 3i5k s TYR 162 CO -0.10 -0.36 1.02 -1.25 -1.52 0.00 0.00 175.55 173.34 3i5k s PRO 163 N -1.37 1.87 0.56 -3.49 0.04 -1.26 -0.89 135.00 130.46 3i5k s PRO 163 Ca -0.14 -0.57 -0.20 0.00 0.04 0.00 0.00 61.00 60.13 3i5k s PRO 163 Cb -0.06 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3i5k s PRO 163 CO 0.03 -1.40 1.10 -3.47 0.04 0.00 0.00 177.00 173.30 3i5k n ASP 164 N -2.95 1.46 -0.31 6.66 2.03 -1.26 -4.73 116.55 117.45 3i5k n ASP 164 Ca 0.11 0.89 0.16 0.00 0.52 0.00 0.00 54.79 56.47 3i5k n ASP 164 Cb 0.60 -1.45 0.33 0.00 -0.72 0.00 0.00 41.12 39.89 3i5k n ASP 164 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3i5k h LEU 165 N 0.92 -0.01 -0.88 -2.67 5.85 -1.82 -0.42 115.31 116.27 3i5k h LEU 165 Ca -0.49 0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3i5k h LEU 165 Cb 1.34 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 42.60 3i5k h LEU 165 CO 0.54 -0.22 0.54 1.23 -0.34 0.00 0.00 178.44 180.19 3i5k h GLY 166 N 0.16 1.35 1.18 3.75 0.00 -1.94 -1.77 103.07 105.81 3i5k h GLY 166 Ca 0.60 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 3i5k h GLY 166 CO -0.71 0.22 -0.19 -2.08 0.00 0.00 0.00 176.54 173.78 3i5k h VAL 167 N 0.94 1.27 -0.68 4.60 2.07 -1.44 -3.00 116.25 120.01 3i5k h VAL 167 Ca 0.40 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3i5k h VAL 167 Cb 0.26 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3i5k h VAL 167 CO -0.20 0.46 0.34 0.03 0.02 0.00 0.00 177.57 178.21 3i5k h ARG 168 N 0.83 0.96 -0.35 1.57 3.08 -0.65 -0.95 114.38 118.87 3i5k h ARG 168 Ca 0.12 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3i5k h ARG 168 Cb 0.74 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3i5k h ARG 168 CO 0.06 0.73 0.13 0.28 -1.07 0.00 0.00 179.97 180.10 3i5k h VAL 169 N 0.96 1.20 -0.97 2.04 2.07 -1.35 -3.00 116.25 117.19 3i5k h VAL 169 Ca 0.24 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3i5k h VAL 169 Cb 0.08 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3i5k h VAL 169 CO -0.03 0.21 0.63 0.00 0.02 0.00 0.00 177.57 178.40 3i5k h GLU 171 N 1.16 0.72 -0.45 0.00 5.08 -1.07 -1.78 114.58 118.24 3i5k h GLU 171 Ca 0.41 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3i5k h GLU 171 Cb 0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3i5k h GLU 171 CO -0.16 0.48 0.12 0.87 -1.00 0.00 0.00 179.01 179.32 3i5k h LYS 172 N 0.74 0.71 -0.55 2.33 1.57 -1.26 0.69 116.57 120.80 3i5k h LYS 172 Ca 0.42 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 3i5k h LYS 172 Cb 0.45 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3i5k h LYS 172 CO -0.28 0.70 0.30 0.52 -0.57 0.00 0.00 179.45 180.12 3i5k h MET 173 N 0.60 0.56 0.03 3.15 2.86 -1.05 -1.15 114.93 119.92 3i5k h MET 173 Ca 0.14 -0.03 -0.27 0.00 -2.06 0.00 0.00 59.70 57.48 3i5k h MET 173 Cb 0.30 -0.13 0.02 0.00 0.06 0.00 0.00 31.60 31.86 3i5k h MET 173 CO -0.00 0.37 -1.08 0.00 1.06 0.00 0.00 176.91 177.26 3i5k h ALA 174 N 1.28 0.10 0.00 6.32 0.00 -1.13 -1.36 119.26 124.47 3i5k h ALA 174 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i5k h ALA 174 Cb 0.12 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i5k h ALA 174 CO -0.15 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.06 3i5k n LEU 175 N -3.85 0.16 -0.12 0.00 4.77 0.22 -4.80 117.00 113.37 3i5k n LEU 175 Ca -0.12 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.36 3i5k n LEU 175 Cb 0.90 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.99 3i5k n LEU 175 CO 0.56 0.04 1.00 0.22 -1.33 0.00 0.00 177.39 177.88 3i5k h TYR 176 N 0.00 0.49 -0.61 -1.77 3.20 -1.32 -1.79 116.97 115.18 3i5k h TYR 176 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3i5k h TYR 176 Cb 0.04 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3i5k h TYR 176 CO 0.00 0.36 0.40 0.22 -1.64 0.00 0.00 178.16 177.50 3i5k h ASP 177 N 0.49 0.59 -0.55 -2.11 3.58 -1.79 -1.51 116.42 115.12 3i5k h ASP 177 Ca 0.13 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3i5k h ASP 177 Cb 0.01 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3i5k h ASP 177 CO -0.03 0.40 0.35 0.40 -2.88 0.00 0.00 179.24 177.49 3i5k h ILE 178 N 0.69 1.15 0.00 2.25 2.04 -1.65 -2.46 117.51 119.52 3i5k h ILE 178 Ca 0.25 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3i5k h ILE 178 Cb 0.13 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3i5k h ILE 178 CO -0.07 0.15 -0.00 0.71 0.00 0.00 0.00 178.15 178.94 3i5k h THR 179 N 0.74 0.37 0.00 -0.27 1.35 -0.65 0.14 112.91 114.58 3i5k h THR 179 Ca 0.20 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3i5k h THR 179 Cb -0.06 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3i5k h THR 179 CO -0.04 0.00 -0.41 1.56 -0.25 0.00 0.00 175.52 176.38 3i5k h GLN 180 N 0.00 0.00 0.00 4.72 1.08 -1.23 -3.42 115.11 116.26 3i5k h GLN 180 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i5k h GLN 180 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3i5k h GLN 180 CO 0.00 0.00 -0.78 1.63 -0.95 0.00 0.00 178.83 178.73 3i5k n LYS 181 N -2.50 0.00 -0.04 1.46 5.02 -0.76 -4.90 118.16 116.43 3i5k n LYS 181 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 3i5k n LYS 181 Cb 0.48 -0.81 -0.08 0.00 -0.02 0.00 0.00 35.03 34.60 3i5k n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3i5k h LEU 182 N 0.00 0.32 -0.98 -0.35 5.85 -0.99 -2.87 115.31 116.29 3i5k h LEU 182 Ca 0.00 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.26 3i5k h LEU 182 Cb 0.78 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3i5k h LEU 182 CO 0.00 0.77 0.64 -0.65 -0.34 0.00 0.00 178.44 178.85 3i5k h PRO 183 N -0.12 1.16 -0.79 5.25 0.11 -1.82 -1.50 132.00 134.28 3i5k h PRO 183 Ca 0.01 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3i5k h PRO 183 Cb 0.69 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3i5k h PRO 183 CO 0.03 0.76 0.31 1.96 -0.21 0.00 0.00 178.00 180.86 3i5k h GLN 184 N 1.19 1.19 -0.79 1.05 7.50 -1.83 -0.84 115.11 122.58 3i5k h GLN 184 Ca 0.41 -0.22 -0.02 0.00 0.50 0.00 0.00 58.65 59.32 3i5k h GLN 184 Cb 0.09 -0.19 -0.04 0.00 0.05 0.00 0.00 27.48 27.39 3i5k h GLN 184 CO -0.15 0.97 0.43 0.00 -1.50 0.00 0.00 178.83 178.58 3i5k h ALA 185 N 1.16 1.27 0.00 3.87 0.00 -1.08 0.47 119.26 124.96 3i5k h ALA 185 Ca 0.26 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 3i5k h ALA 185 Cb 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3i5k h ALA 185 CO -0.02 0.59 -1.67 1.33 0.00 0.00 0.00 179.25 179.48 3i5k n VAL 186 N -4.35 1.44 -0.50 0.00 0.24 -0.66 -4.55 118.33 109.95 3i5k n VAL 186 Ca 0.08 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3i5k n VAL 186 Cb 0.10 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 3i5k n VAL 186 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i5k n MET 187 N -2.96 -0.19 0.00 7.34 0.00 -0.35 -4.91 117.12 116.05 3i5k n MET 187 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 57.70 57.18 3i5k n MET 187 Cb 0.99 -0.75 0.00 0.00 0.00 0.00 0.00 33.22 33.46 3i5k n MET 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i5k n GLY 188 N -0.04 3.61 0.09 3.17 0.00 0.16 -1.67 105.19 110.52 3i5k n GLY 188 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3i5k n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k n ALA 189 N 11.52 1.40 0.26 4.61 0.00 -1.26 -2.15 120.51 134.89 3i5k n ALA 189 Ca 0.00 0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.67 3i5k n ALA 189 Cb 0.00 -1.28 0.48 0.00 0.00 0.00 0.00 19.45 18.64 3i5k n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i5k h SER 190 N 0.00 0.00 -3.13 0.00 0.02 -1.49 -3.44 113.55 105.51 3i5k h SER 190 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3i5k h SER 190 Cb 0.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 3i5k h SER 190 CO 0.00 0.00 1.10 -0.47 -1.14 0.00 0.00 176.83 176.32 3i5k s TYR 191 N -3.47 2.29 0.20 3.45 5.04 -0.91 -0.26 117.35 123.69 3i5k s TYR 191 Ca 0.04 0.67 0.05 0.00 -2.44 0.00 0.00 57.07 55.38 3i5k s TYR 191 Cb 0.07 -4.23 0.13 0.00 0.35 0.00 0.00 41.96 38.28 3i5k s TYR 191 CO 0.59 -2.20 1.47 0.78 -1.34 0.00 0.00 175.55 174.86 3i5k h GLY 192 N 12.34 0.18 1.73 8.97 0.00 -1.19 -3.31 103.07 121.79 3i5k h GLY 192 Ca -0.29 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3i5k h GLY 192 CO 1.07 0.24 0.00 0.69 0.00 0.00 0.00 176.54 178.54 3i5k n PHE 193 N -3.73 0.00 1.26 5.60 3.72 -1.26 -2.35 117.46 120.70 3i5k n PHE 193 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 3i5k n PHE 193 Cb 0.72 -0.37 0.63 0.00 -0.94 0.00 0.00 39.48 39.53 3i5k n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i5k n GLN 194 N -1.37 0.33 -4.06 -1.08 10.64 -1.25 -2.71 117.38 117.89 3i5k n GLN 194 Ca 0.09 -0.06 -0.35 0.00 -1.83 0.00 0.00 57.00 54.85 3i5k n GLN 194 Cb 0.22 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.01 3i5k n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3i5k s TYR 195 N -2.71 3.31 0.80 2.61 2.02 -0.99 -4.38 117.35 118.00 3i5k s TYR 195 Ca 0.23 0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 3i5k s TYR 195 Cb 0.20 -1.98 0.07 0.00 -0.40 0.00 0.00 41.96 39.85 3i5k s TYR 195 CO 0.51 0.35 1.09 -1.54 -1.57 0.00 0.00 175.55 174.40 3i5k s SER 196 N -0.22 4.28 0.31 2.29 1.04 -1.26 -4.77 113.70 115.36 3i5k s SER 196 Ca 0.08 1.80 0.06 0.00 0.48 0.00 0.00 55.95 58.37 3i5k s SER 196 Cb -0.12 -2.48 0.74 0.00 0.10 0.00 0.00 66.02 64.26 3i5k s SER 196 CO 0.01 -2.17 1.80 -0.65 0.98 0.00 0.00 173.24 173.21 3i5k h PRO 197 N -1.23 0.75 -0.37 4.02 0.11 -1.92 0.39 132.00 133.76 3i5k h PRO 197 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3i5k h PRO 197 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3i5k h PRO 197 CO 0.51 0.50 -0.04 0.00 -0.21 0.00 0.00 178.00 178.76 3i5k h ALA 198 N 1.62 1.24 0.01 -0.75 0.00 -1.92 -1.25 119.26 118.20 3i5k h ALA 198 Ca 0.55 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 3i5k h ALA 198 Cb 0.84 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3i5k h ALA 198 CO -0.34 0.50 -0.94 1.96 0.00 0.00 0.00 179.25 180.43 3i5k h GLN 199 N 0.57 0.02 -0.07 0.00 4.20 -1.35 -1.93 115.11 116.56 3i5k h GLN 199 Ca 0.11 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3i5k h GLN 199 Cb 0.43 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3i5k h GLN 199 CO 0.02 0.95 0.00 -0.09 -0.67 0.00 0.00 178.83 179.04 3i5k h ARG 200 N 0.01 0.02 -0.27 1.46 2.43 -0.84 -1.77 114.38 115.42 3i5k h ARG 200 Ca -0.02 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3i5k h ARG 200 Cb 1.66 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.14 3i5k h ARG 200 CO 0.13 0.02 -0.12 0.28 -1.51 0.00 0.00 179.97 178.76 3i5k h VAL 201 N 0.02 0.61 -0.81 0.20 2.07 -1.16 -1.00 116.25 116.19 3i5k h VAL 201 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3i5k h VAL 201 Cb 0.03 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3i5k h VAL 201 CO -0.05 0.00 0.54 -0.08 0.02 0.00 0.00 177.57 178.00 3i5k h GLU 202 N -0.08 1.05 -0.12 1.57 4.81 -1.23 -1.15 114.58 119.42 3i5k h GLU 202 Ca 0.14 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 3i5k h GLU 202 Cb 0.30 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3i5k h GLU 202 CO -0.33 0.69 -0.54 -0.92 -0.73 0.00 0.00 179.01 177.19 3i5k h TYR 203 N 1.08 0.78 -0.52 0.92 3.20 -0.95 -2.25 116.97 119.22 3i5k h TYR 203 Ca 0.30 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3i5k h TYR 203 Cb -0.10 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3i5k h TYR 203 CO -0.00 1.12 0.17 -0.07 -1.64 0.00 0.00 178.16 177.74 3i5k h LEU 204 N 0.21 0.75 -0.45 2.82 3.38 -0.88 0.10 115.31 121.24 3i5k h LEU 204 Ca -0.03 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3i5k h LEU 204 Cb 1.18 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3i5k h LEU 204 CO 0.11 0.76 0.29 -0.07 0.09 0.00 0.00 178.44 179.61 3i5k h LEU 205 N 0.71 0.48 -0.34 1.67 3.38 -1.24 -1.41 115.31 118.56 3i5k h LEU 205 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3i5k h LEU 205 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i5k h LEU 205 CO -0.01 0.35 0.03 0.50 0.09 0.00 0.00 178.44 179.40 3i5k h LYS 206 N 0.58 0.59 -0.98 1.13 3.64 -1.26 -0.42 116.57 119.84 3i5k h LYS 206 Ca 0.17 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3i5k h LYS 206 Cb -0.04 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 3i5k h LYS 206 CO -0.05 0.69 0.62 0.00 -2.27 0.00 0.00 179.45 178.44 3i5k h ALA 207 N 0.87 1.41 0.01 5.00 0.00 -0.77 -1.95 119.26 123.82 3i5k h ALA 207 Ca 0.10 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 3i5k h ALA 207 Cb 0.41 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i5k h ALA 207 CO 0.01 0.32 -1.03 2.35 0.00 0.00 0.00 179.25 180.90 3i5k h TRP 208 N 1.06 0.94 0.00 0.00 2.91 -1.03 -3.27 115.95 116.56 3i5k h TRP 208 Ca 0.45 -0.51 -0.14 0.00 1.13 0.00 0.00 58.89 59.82 3i5k h TRP 208 Cb 0.30 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.83 3i5k h TRP 208 CO -0.01 1.35 -0.65 0.00 -1.03 0.00 0.00 178.44 178.10 3i5k h ALA 209 N 0.48 0.90 0.00 2.65 0.00 -0.85 -3.13 119.26 119.31 3i5k h ALA 209 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3i5k h ALA 209 Cb 1.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3i5k h ALA 209 CO 0.20 0.81 0.00 1.05 0.00 0.00 0.00 179.25 181.31 3i5k h GLU 210 N 0.00 0.00 -6.44 0.00 4.11 -1.41 -3.44 114.58 107.41 3i5k h GLU 210 Ca -0.01 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.88 3i5k h GLU 210 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3i5k h GLU 210 CO 0.08 0.00 0.11 0.15 0.07 0.00 0.00 179.01 179.42 3i5k s LYS 211 N -3.28 4.43 0.16 1.06 -0.14 -1.19 -4.98 119.74 115.81 3i5k s LYS 211 Ca 0.06 1.00 -0.12 0.00 -1.36 0.00 0.00 55.97 55.56 3i5k s LYS 211 Cb 0.10 -3.22 0.03 0.00 -1.68 0.00 0.00 37.83 33.06 3i5k s LYS 211 CO 0.51 0.58 1.63 -0.22 -0.76 0.00 0.00 175.35 177.09 3i5k h LYS 212 N 4.31 0.88 -2.47 1.68 3.64 -1.88 -3.38 116.57 119.35 3i5k h LYS 212 Ca -0.48 -0.25 -0.56 0.00 -1.27 0.00 0.00 60.65 58.09 3i5k h LYS 212 Cb 1.21 -0.10 -0.38 0.00 -0.41 0.00 0.00 32.23 32.55 3i5k h LYS 212 CO 0.65 0.88 -0.85 0.34 -2.27 0.00 0.00 179.45 178.20 3i5k s ASP 213 N -6.31 2.53 0.29 4.20 2.15 -1.26 -5.09 116.67 113.18 3i5k s ASP 213 Ca -0.12 -2.24 -0.29 0.00 0.43 0.00 0.00 52.55 50.32 3i5k s ASP 213 Cb 0.12 -0.28 -0.10 0.00 -0.30 0.00 0.00 42.92 42.36 3i5k s ASP 213 CO 0.82 -0.28 1.17 -2.16 -0.17 0.00 0.00 175.17 174.54 3i5k s PRO 214 N 0.97 4.54 -0.03 4.34 0.04 -1.26 -0.14 135.00 143.46 3i5k s PRO 214 Ca 0.20 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.20 3i5k s PRO 214 Cb -0.18 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.20 3i5k s PRO 214 CO -0.02 0.07 -0.09 1.41 0.04 0.00 0.00 177.00 178.41 3i5k s MET 215 N -1.44 1.00 0.17 4.56 1.75 -0.11 -4.70 119.30 120.52 3i5k s MET 215 Ca 0.46 -0.28 0.08 0.00 -1.25 0.00 0.00 55.69 54.70 3i5k s MET 215 Cb -0.34 -0.92 -0.04 0.00 2.84 0.00 0.00 34.83 36.36 3i5k s MET 215 CO 0.44 0.08 -0.17 0.20 -0.65 0.00 0.00 175.02 174.92 3i5k s GLY 216 N 0.32 1.35 0.09 2.11 0.00 -0.10 -0.42 107.32 110.68 3i5k s GLY 216 Ca -0.05 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.05 3i5k s GLY 216 CO 0.01 -1.57 0.28 -0.11 0.00 0.00 0.00 173.10 171.71 3i5k s PHE 217 N -2.29 -0.01 -0.10 1.90 -0.12 -0.37 -0.22 117.98 116.76 3i5k s PHE 217 Ca 0.16 -0.33 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 3i5k s PHE 217 Cb -0.04 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 3i5k s PHE 217 CO 0.06 -0.59 0.04 -1.12 -0.05 0.00 0.00 175.22 173.56 3i5k s SER 218 N -2.70 5.56 -0.26 1.98 0.01 -1.26 -0.94 113.70 116.09 3i5k s SER 218 Ca 0.03 0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.44 3i5k s SER 218 Cb 0.03 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 3i5k s SER 218 CO -0.10 0.36 0.04 -0.47 0.41 0.00 0.00 173.24 173.49 3i5k s TYR 219 N -0.78 3.07 -0.46 2.43 5.04 -0.65 -4.49 117.35 121.52 3i5k s TYR 219 Ca 0.12 -0.75 -0.16 0.00 -2.44 0.00 0.00 57.07 53.85 3i5k s TYR 219 Cb -0.12 -2.21 0.06 0.00 0.35 0.00 0.00 41.96 40.05 3i5k s TYR 219 CO 0.03 -0.48 0.39 0.34 -1.34 0.00 0.00 175.55 174.48 3i5k s ASP 220 N 1.54 6.15 0.01 4.32 2.15 -1.26 -4.10 116.67 125.47 3i5k s ASP 220 Ca 0.05 -1.20 -0.30 0.00 0.43 0.00 0.00 52.55 51.53 3i5k s ASP 220 Cb -0.16 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 3i5k s ASP 220 CO 0.01 -0.62 1.06 -0.89 -0.17 0.00 0.00 175.17 174.57 3i5k s THR 221 N 1.72 4.57 -0.25 1.71 2.01 -1.26 0.93 115.64 125.06 3i5k s THR 221 Ca 0.05 1.85 -0.29 0.00 0.31 0.00 0.00 61.69 63.61 3i5k s THR 221 Cb -0.23 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 3i5k s THR 221 CO 0.08 0.13 1.76 -0.60 -0.69 0.00 0.00 174.62 175.30 3i5k s ARG 222 N 1.14 3.57 -0.92 4.92 3.52 -0.49 -3.92 118.95 126.78 3i5k s ARG 222 Ca 0.54 1.64 -0.08 0.00 -0.13 0.00 0.00 55.73 57.70 3i5k s ARG 222 Cb -0.24 -4.14 -0.00 0.00 -1.56 0.00 0.00 34.95 29.01 3i5k s ARG 222 CO 0.27 -1.58 0.70 0.00 -0.81 0.00 0.00 175.30 173.89 3i5k h PHE 224 N -0.68 -0.21 -0.87 0.00 3.57 -1.96 -0.81 116.94 115.98 3i5k h PHE 224 Ca -0.46 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.25 3i5k h PHE 224 Cb 1.27 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 40.07 3i5k h PHE 224 CO 0.26 -0.19 0.43 -0.44 -2.23 0.00 0.00 178.31 176.14 3i5k h ASP 225 N 0.02 0.47 0.72 0.41 3.32 -1.91 -0.07 116.42 119.37 3i5k h ASP 225 Ca 0.23 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3i5k h ASP 225 Cb 0.35 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3i5k h ASP 225 CO -0.47 0.15 -0.21 0.28 -1.72 0.00 0.00 179.24 177.27 3i5k h SER 226 N 0.55 0.00 1.48 6.45 0.02 -1.45 -2.84 113.55 117.76 3i5k h SER 226 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3i5k h SER 226 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3i5k h SER 226 CO -0.42 0.21 -0.28 0.71 -1.14 0.00 0.00 176.83 175.92 3i5k h THR 227 N 0.00 0.00 -2.75 -2.27 1.35 -0.74 -3.44 112.91 105.06 3i5k h THR 227 Ca -0.00 -0.76 -0.56 0.00 -0.55 0.00 0.00 66.41 64.54 3i5k h THR 227 Cb 0.63 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 3i5k h THR 227 CO 0.03 0.00 1.03 -0.69 -0.25 0.00 0.00 175.52 175.64 3i5k s VAL 228 N -3.20 3.84 0.43 6.82 1.01 -1.04 -4.78 120.40 123.49 3i5k s VAL 228 Ca 0.07 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 3i5k s VAL 228 Cb 0.09 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3i5k s VAL 228 CO 0.68 -0.15 0.66 0.42 0.00 0.00 0.00 175.10 176.71 3i5k s THR 229 N 4.12 4.27 0.27 3.92 -4.23 -1.26 -3.87 115.64 118.85 3i5k s THR 229 Ca 0.67 -0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 60.73 3i5k s THR 229 Cb -0.27 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.24 3i5k s THR 229 CO 0.25 -0.41 1.78 -0.33 -0.54 0.00 0.00 174.62 175.37 3i5k h GLU 230 N 0.45 0.71 -0.80 3.99 5.08 -1.84 -1.33 114.58 120.82 3i5k h GLU 230 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3i5k h GLU 230 Cb 1.24 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 3i5k h GLU 230 CO 0.58 0.47 0.52 -0.09 -1.00 0.00 0.00 179.01 179.49 3i5k h ARG 231 N 0.73 1.07 -0.65 2.33 2.43 -1.96 -0.29 114.38 118.05 3i5k h ARG 231 Ca 0.47 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.64 3i5k h ARG 231 Cb 0.61 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 3i5k h ARG 231 CO -0.33 0.73 0.33 -0.44 -1.51 0.00 0.00 179.97 178.74 3i5k h ASP 232 N 1.10 0.45 0.08 -3.80 3.32 -1.66 0.14 116.42 116.04 3i5k h ASP 232 Ca 0.29 0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.20 3i5k h ASP 232 Cb -0.10 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3i5k h ASP 232 CO -0.06 0.28 -0.71 0.40 -1.72 0.00 0.00 179.24 177.42 3i5k h ILE 233 N 0.59 1.33 -0.11 0.35 2.04 -0.77 -1.51 117.51 119.43 3i5k h ILE 233 Ca 0.31 -2.02 -0.12 0.00 1.00 0.00 0.00 64.86 64.02 3i5k h ILE 233 Cb 0.27 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3i5k h ILE 233 CO -0.23 0.62 -0.45 0.03 0.00 0.00 0.00 178.15 178.13 3i5k h ARG 234 N 0.39 0.27 -0.60 2.37 3.08 -0.83 -2.13 114.38 116.94 3i5k h ARG 234 Ca -0.03 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 3i5k h ARG 234 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 3i5k h ARG 234 CO 0.13 0.67 0.06 1.15 -1.07 0.00 0.00 179.97 180.92 3i5k h THR 235 N 0.22 1.26 -0.83 2.04 2.02 -0.51 -1.13 112.91 115.98 3i5k h THR 235 Ca 0.02 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3i5k h THR 235 Cb 0.88 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3i5k h THR 235 CO 0.07 0.38 0.47 -0.33 0.37 0.00 0.00 175.52 176.49 3i5k h GLU 236 N 0.93 1.14 -0.65 6.66 5.08 -0.94 -1.61 114.58 125.20 3i5k h GLU 236 Ca 0.18 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3i5k h GLU 236 Cb 0.46 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3i5k h GLU 236 CO 0.02 0.83 0.41 1.49 -1.00 0.00 0.00 179.01 180.75 3i5k h GLU 237 N 1.15 0.79 0.00 2.33 4.81 -1.01 -0.20 114.58 122.45 3i5k h GLU 237 Ca 0.29 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3i5k h GLU 237 Cb -0.00 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3i5k h GLU 237 CO -0.05 0.53 -0.16 0.66 -0.73 0.00 0.00 179.01 179.26 3i5k h SER 238 N 0.82 0.00 -0.09 1.04 4.64 -0.60 0.11 113.55 119.48 3i5k h SER 238 Ca 0.25 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 3i5k h SER 238 Cb -0.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3i5k h SER 238 CO -0.09 0.16 -0.47 0.40 -0.87 0.00 0.00 176.83 175.97 3i5k h ILE 239 N 0.00 1.38 -0.52 0.95 2.04 -0.48 -2.44 117.51 118.45 3i5k h ILE 239 Ca -0.00 -1.82 0.07 0.00 1.00 0.00 0.00 64.86 64.11 3i5k h ILE 239 Cb 0.30 2.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 3i5k h ILE 239 CO 0.02 0.54 0.19 1.88 0.00 0.00 0.00 178.15 180.78 3i5k h TYR 240 N 0.04 0.33 0.00 1.37 0.05 -0.42 -2.48 116.97 115.85 3i5k h TYR 240 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3i5k h TYR 240 Cb 1.12 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.79 3i5k h TYR 240 CO 0.12 0.10 0.00 1.96 -1.05 0.00 0.00 178.16 179.29 3i5k h GLN 241 N 0.36 0.00 0.00 4.88 1.08 -0.77 -2.68 115.11 117.99 3i5k h GLN 241 Ca 0.25 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 3i5k h GLN 241 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3i5k h GLN 241 CO -0.25 0.00 -0.17 0.00 -0.95 0.00 0.00 178.83 177.45 3i5k h ALA 242 N 2.27 1.04 -2.40 3.87 0.00 -0.94 -3.45 119.26 119.65 3i5k h ALA 242 Ca 0.00 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 3i5k h ALA 242 Cb 0.41 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.31 3i5k h ALA 242 CO 0.00 0.22 0.33 0.00 0.00 0.00 0.00 179.25 179.80 3i5k s SER 244 N -2.85 6.78 0.20 0.00 0.01 0.48 -4.98 113.70 113.35 3i5k s SER 244 Ca 0.66 0.93 0.09 0.00 1.31 0.00 0.00 55.95 58.94 3i5k s SER 244 Cb -0.21 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 3i5k s SER 244 CO 0.50 -1.03 -0.18 -0.76 0.41 0.00 0.00 173.24 172.18 3i5k s LEU 245 N 4.06 2.51 0.58 2.44 1.43 -1.26 -1.61 118.68 126.83 3i5k s LEU 245 Ca 0.49 -0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 3i5k s LEU 245 Cb -0.12 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 3i5k s LEU 245 CO 0.22 -0.05 1.17 -2.16 0.23 0.00 0.00 176.35 175.76 3i5k s PRO 246 N -3.21 3.09 0.40 1.29 0.04 -1.26 -4.92 135.00 130.44 3i5k s PRO 246 Ca 0.21 1.72 0.12 0.00 0.04 0.00 0.00 61.00 63.09 3i5k s PRO 246 Cb -0.04 -1.96 0.95 0.00 0.04 0.00 0.00 34.50 33.49 3i5k s PRO 246 CO 0.09 -1.09 1.93 1.49 0.04 0.00 0.00 177.00 179.46 3i5k h GLU 247 N 0.92 0.51 -0.80 4.56 4.81 -2.00 -2.22 114.58 120.36 3i5k h GLU 247 Ca -0.50 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 3i5k h GLU 247 Cb 1.28 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3i5k h GLU 247 CO 0.56 0.33 0.34 1.49 -0.73 0.00 0.00 179.01 181.00 3i5k h GLU 248 N 0.52 1.18 -0.56 1.92 4.81 -2.00 -1.41 114.58 119.04 3i5k h GLU 248 Ca 0.35 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 3i5k h GLU 248 Cb 0.65 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3i5k h GLU 248 CO -0.12 0.93 -0.07 0.00 -0.73 0.00 0.00 179.01 179.02 3i5k h ALA 249 N 1.22 0.81 -0.56 2.92 0.00 -1.79 -2.03 119.26 119.83 3i5k h ALA 249 Ca 0.27 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i5k h ALA 249 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3i5k h ALA 249 CO -0.03 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.21 3i5k h ARG 250 N 0.92 0.59 0.07 0.00 3.08 -1.07 0.36 114.38 118.34 3i5k h ARG 250 Ca 0.15 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3i5k h ARG 250 Cb 0.63 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3i5k h ARG 250 CO 0.04 0.39 -0.04 1.15 -1.07 0.00 0.00 179.97 180.45 3i5k h THR 251 N 0.61 0.99 -0.67 2.04 2.02 -1.15 -2.13 112.91 114.62 3i5k h THR 251 Ca 0.24 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 3i5k h THR 251 Cb 0.10 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3i5k h THR 251 CO -0.14 0.05 0.17 0.00 0.37 0.00 0.00 175.52 175.97 3i5k h ALA 252 N 0.73 0.89 -0.60 6.16 0.00 -1.10 -1.71 119.26 123.63 3i5k h ALA 252 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3i5k h ALA 252 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i5k h ALA 252 CO 0.02 0.60 0.11 0.82 0.00 0.00 0.00 179.25 180.80 3i5k h ILE 253 N 1.01 1.26 -0.40 0.00 2.04 -0.93 0.13 117.51 120.61 3i5k h ILE 253 Ca 0.21 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 3i5k h ILE 253 Cb 0.36 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3i5k h ILE 253 CO 0.00 0.36 0.12 -0.74 0.00 0.00 0.00 178.15 177.89 3i5k h HIS 254 N 0.89 0.64 -0.52 1.37 2.76 -1.17 -0.75 115.15 118.37 3i5k h HIS 254 Ca 0.18 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3i5k h HIS 254 Cb 0.41 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 3i5k h HIS 254 CO 0.03 0.61 0.33 0.77 -1.30 0.00 0.00 177.93 178.37 3i5k h SER 255 N 0.49 0.57 -0.59 3.26 0.02 -1.15 -1.22 113.55 114.92 3i5k h SER 255 Ca 0.13 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3i5k h SER 255 Cb 0.27 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3i5k h SER 255 CO -0.00 0.41 0.15 -0.07 -1.14 0.00 0.00 176.83 176.18 3i5k h LEU 256 N 0.68 0.89 0.18 5.07 3.38 -0.85 0.19 115.31 124.85 3i5k h LEU 256 Ca 0.20 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i5k h LEU 256 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3i5k h LEU 256 CO -0.06 0.89 -0.26 0.74 0.09 0.00 0.00 178.44 179.84 3i5k h THR 257 N 0.85 0.44 0.00 0.22 2.02 -0.93 0.63 112.91 116.14 3i5k h THR 257 Ca 0.19 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.24 3i5k h THR 257 Cb 0.34 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3i5k h THR 257 CO 0.00 0.00 -0.61 -0.33 0.37 0.00 0.00 175.52 174.95 3i5k h GLU 258 N -0.51 0.00 0.00 6.66 4.39 -1.00 -0.19 114.58 123.93 3i5k h GLU 258 Ca 0.01 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.45 3i5k h GLU 258 Cb 0.50 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 3i5k h GLU 258 CO -0.11 0.61 -2.06 0.54 -1.16 0.00 0.00 179.01 176.84 3i5k n ARG 259 N -3.51 0.66 0.06 2.33 1.74 0.66 -4.73 116.66 113.87 3i5k n ARG 259 Ca -0.00 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3i5k n ARG 259 Cb 0.68 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 3i5k n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i5k n LEU 260 N -2.75 0.72 -0.27 0.55 7.94 0.01 -0.59 117.00 122.61 3i5k n LEU 260 Ca -0.22 0.17 -0.06 0.00 -1.11 0.00 0.00 56.01 54.79 3i5k n LEU 260 Cb 1.00 -0.16 0.06 0.00 0.53 0.00 0.00 43.42 44.85 3i5k n LEU 260 CO 0.44 -0.65 1.05 1.88 -1.11 0.00 0.00 177.39 178.99 3i5k h TYR 261 N 0.00 1.13 0.00 1.96 0.05 -0.71 -3.01 116.97 116.40 3i5k h TYR 261 Ca 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3i5k h TYR 261 Cb 0.14 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.54 3i5k h TYR 261 CO 0.00 0.86 -0.06 -0.39 -1.05 0.00 0.00 178.16 177.52 3i5k h VAL 262 N 1.08 0.15 0.00 -2.88 -1.51 -1.29 -3.41 116.25 108.39 3i5k h VAL 262 Ca 0.25 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3i5k h VAL 262 Cb 0.19 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3i5k h VAL 262 CO -0.02 0.06 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 3i5k n GLY 263 N 0.18 -1.36 0.00 5.19 0.00 -1.14 -4.02 105.19 104.04 3i5k n GLY 263 Ca 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3i5k n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 264 N -1.09 0.76 3.77 -0.02 0.00 -0.56 -4.22 105.19 103.84 3i5k n GLY 264 Ca 0.00 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 3i5k n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i5k s PRO 265 N -1.90 4.58 -0.11 1.61 0.04 -1.26 -0.91 135.00 137.05 3i5k s PRO 265 Ca 0.00 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 3i5k s PRO 265 Cb 0.00 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 3i5k s PRO 265 CO 0.00 0.25 -0.06 -1.64 0.04 0.00 0.00 177.00 175.59 3i5k s MET 266 N -1.82 3.20 0.07 4.56 -1.94 0.59 -1.88 119.30 122.07 3i5k s MET 266 Ca 0.48 -0.54 0.09 0.00 -1.71 0.00 0.00 55.69 54.01 3i5k s MET 266 Cb -0.23 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 3i5k s MET 266 CO 0.30 0.45 -0.25 -0.06 -0.01 0.00 0.00 175.02 175.44 3i5k s PHE 267 N -0.22 2.35 1.02 -0.03 0.08 0.16 0.20 117.98 121.53 3i5k s PHE 267 Ca 0.03 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 3i5k s PHE 267 Cb -0.13 -1.37 0.24 0.00 -0.57 0.00 0.00 43.02 41.19 3i5k s PHE 267 CO 0.03 0.20 1.34 0.27 -0.10 0.00 0.00 175.22 176.96 3i5k n ASN 268 N 1.52 -0.04 0.24 1.36 0.23 -0.43 -1.38 115.26 116.76 3i5k n ASN 268 Ca -0.17 -1.47 0.16 0.00 -0.53 0.00 0.00 54.58 52.57 3i5k n ASN 268 Cb 0.52 -1.04 0.72 0.00 -2.08 0.00 0.00 39.78 37.90 3i5k n ASN 268 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3i5k h SER 269 N -1.85 0.00 -0.03 0.53 4.64 -1.78 -0.83 113.55 114.22 3i5k h SER 269 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3i5k h SER 269 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3i5k h SER 269 CO 0.31 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.56 3i5k n LYS 270 N -2.76 1.58 -1.01 4.77 5.02 -1.26 -4.93 118.16 119.56 3i5k n LYS 270 Ca 0.00 -0.84 -0.00 0.00 -2.02 0.00 0.00 58.31 55.44 3i5k n LYS 270 Cb 0.21 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3i5k n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i5k n GLY 271 N 1.14 0.47 3.75 0.72 0.00 -0.32 -5.04 105.19 105.91 3i5k n GLY 271 Ca 0.19 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3i5k n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i5k s GLN 272 N -0.66 4.77 0.09 1.61 -0.21 -1.26 -4.81 119.66 119.19 3i5k s GLN 272 Ca 0.00 1.56 -0.31 0.00 0.02 0.00 0.00 55.36 56.64 3i5k s GLN 272 Cb 0.00 -3.28 -0.10 0.00 1.00 0.00 0.00 33.01 30.63 3i5k s GLN 272 CO 0.00 0.37 1.89 0.99 -2.12 0.00 0.00 175.29 176.41 3i5k s THR 273 N -0.88 2.69 -0.23 -0.19 2.01 -1.26 -1.32 115.64 116.47 3i5k s THR 273 Ca 0.43 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.49 3i5k s THR 273 Cb -0.27 -3.02 -0.16 0.00 0.01 0.00 0.00 72.50 69.07 3i5k s THR 273 CO 0.34 -0.00 -0.18 0.00 -0.69 0.00 0.00 174.62 174.08 3i5k n GLY 275 N 2.36 -0.67 2.98 0.00 0.00 -1.04 -1.03 105.19 107.80 3i5k n GLY 275 Ca -0.40 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 3i5k n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i5k s TYR 276 N -3.00 0.64 -0.15 1.61 5.04 0.26 -0.30 117.35 121.44 3i5k s TYR 276 Ca 0.00 -0.12 -0.05 0.00 -2.44 0.00 0.00 57.07 54.45 3i5k s TYR 276 Cb 0.00 -0.42 -0.03 0.00 0.35 0.00 0.00 41.96 41.85 3i5k s TYR 276 CO 0.00 -0.02 0.02 0.50 -1.34 0.00 0.00 175.55 174.71 3i5k s ARG 277 N -0.10 3.68 -0.15 4.97 3.52 -0.09 -1.60 118.95 129.18 3i5k s ARG 277 Ca 0.02 -0.41 0.15 0.00 -0.13 0.00 0.00 55.73 55.36 3i5k s ARG 277 Cb -0.03 -3.03 0.40 0.00 -1.56 0.00 0.00 34.95 30.73 3i5k s ARG 277 CO -0.00 0.36 1.20 0.54 -0.81 0.00 0.00 175.30 176.58 3i5k n ARG 278 N 3.23 1.14 -2.09 5.12 1.74 -0.19 -1.49 116.66 124.13 3i5k n ARG 278 Ca -0.17 -2.89 -0.01 0.00 -0.77 0.00 0.00 57.85 54.01 3i5k n ARG 278 Cb 0.53 -1.19 -0.00 0.00 -1.02 0.00 0.00 32.46 30.78 3i5k n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5k n ARG 280 N -0.04 2.69 -2.77 0.00 3.00 -1.09 -4.45 116.66 114.00 3i5k n ARG 280 Ca 0.00 0.96 -0.42 0.00 -0.00 0.00 0.00 57.85 58.40 3i5k n ARG 280 Cb 0.04 -2.75 -0.03 0.00 0.00 0.00 0.00 32.46 29.72 3i5k n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i5k s ALA 281 N 0.10 3.26 -0.37 5.13 0.00 -1.26 -4.78 121.76 123.84 3i5k s ALA 281 Ca 0.65 0.41 0.25 0.00 0.00 0.00 0.00 51.96 53.27 3i5k s ALA 281 Cb -0.50 -3.29 1.06 0.00 0.00 0.00 0.00 23.12 20.39 3i5k s ALA 281 CO 0.47 -0.31 1.75 0.66 0.00 0.00 0.00 175.76 178.32 3i5k h SER 282 N 6.89 0.00 -0.98 0.00 4.64 -1.88 -3.35 113.55 118.86 3i5k h SER 282 Ca -0.38 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.48 3i5k h SER 282 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.87 3i5k h SER 282 CO 0.78 0.00 -0.93 0.61 -0.87 0.00 0.00 176.83 176.42 3i5k n GLY 283 N -0.14 4.34 3.47 -0.77 0.00 0.43 -4.78 105.19 107.74 3i5k n GLY 283 Ca 0.02 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 3i5k n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i5k s VAL 284 N -4.42 1.55 0.35 1.61 -7.23 -1.26 -4.46 120.40 106.54 3i5k s VAL 284 Ca 0.40 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 3i5k s VAL 284 Cb 0.40 -2.67 0.13 0.00 0.56 0.00 0.00 36.38 34.80 3i5k s VAL 284 CO -0.05 -0.14 1.86 0.25 -0.31 0.00 0.00 175.10 176.71 3i5k h LEU 285 N 2.13 0.34 -0.78 1.32 5.85 -1.95 -2.73 115.31 119.49 3i5k h LEU 285 Ca -0.41 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3i5k h LEU 285 Cb 1.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3i5k h LEU 285 CO 0.70 0.51 0.00 0.35 -0.34 0.00 0.00 178.44 179.66 3i5k n THR 286 N -4.23 0.19 -0.05 1.05 -2.24 -1.26 -4.28 114.28 103.45 3i5k n THR 286 Ca -0.00 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 3i5k n THR 286 Cb 0.30 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 3i5k n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i5k h THR 287 N 1.47 1.14 0.07 4.28 2.02 -1.75 0.28 112.91 120.43 3i5k h THR 287 Ca 0.00 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3i5k h THR 287 Cb 0.33 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i5k h THR 287 CO 0.00 0.14 -0.03 -1.28 0.37 0.00 0.00 175.52 174.71 3i5k h SER 288 N 0.19 -0.08 -0.51 4.18 0.87 -1.82 -1.80 113.55 114.59 3i5k h SER 288 Ca 0.07 -0.54 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 3i5k h SER 288 Cb 0.13 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3i5k h SER 288 CO -0.01 0.58 0.30 -0.03 -0.53 0.00 0.00 176.83 177.15 3i5k h MET 289 N -0.84 0.59 -0.33 2.24 -1.53 -1.76 -0.13 114.93 113.18 3i5k h MET 289 Ca -0.01 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.24 3i5k h MET 289 Cb 0.61 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.50 3i5k h MET 289 CO 0.02 0.39 0.14 0.78 0.14 0.00 0.00 176.91 178.38 3i5k h GLY 290 N 0.61 0.44 0.95 1.39 0.00 -0.52 -1.24 103.07 104.70 3i5k h GLY 290 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3i5k h GLY 290 CO -0.09 0.06 0.18 3.43 0.00 0.00 0.00 176.54 180.12 3i5k h ASN 291 N 0.30 0.45 0.02 0.19 2.35 -1.15 -0.64 115.58 117.10 3i5k h ASN 291 Ca 0.14 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3i5k h ASN 291 Cb 0.09 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3i5k h ASN 291 CO -0.12 0.43 -0.28 0.74 -1.65 0.00 0.00 177.43 176.55 3i5k h THR 292 N 0.43 0.38 -0.34 2.81 2.02 -0.81 0.18 112.91 117.59 3i5k h THR 292 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3i5k h THR 292 Cb 0.09 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3i5k h THR 292 CO -0.02 0.00 0.07 0.40 0.37 0.00 0.00 175.52 176.34 3i5k h ILE 293 N -0.43 1.23 -0.15 3.11 2.04 -1.17 -0.65 117.51 121.50 3i5k h ILE 293 Ca 0.06 -0.79 -0.16 0.00 1.00 0.00 0.00 64.86 64.97 3i5k h ILE 293 Cb 0.51 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3i5k h ILE 293 CO -0.23 0.26 -0.57 0.74 0.00 0.00 0.00 178.15 178.36 3i5k h THR 294 N 0.39 1.34 -0.42 -0.27 2.02 -0.98 -1.23 112.91 113.76 3i5k h THR 294 Ca 0.10 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 3i5k h THR 294 Cb 0.33 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3i5k h THR 294 CO 0.00 0.57 0.10 0.00 0.37 0.00 0.00 175.52 176.56 3i5k h TYR 296 N 0.53 0.51 0.13 0.00 3.20 -0.88 0.62 116.97 121.08 3i5k h TYR 296 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3i5k h TYR 296 Cb 0.32 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3i5k h TYR 296 CO 0.02 0.37 -0.06 0.28 -1.64 0.00 0.00 178.16 177.12 3i5k h VAL 297 N 0.50 0.94 -0.27 1.81 2.07 -1.22 -1.08 116.25 119.00 3i5k h VAL 297 Ca 0.14 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3i5k h VAL 297 Cb 0.01 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3i5k h VAL 297 CO -0.03 0.06 0.17 0.11 0.02 0.00 0.00 177.57 177.91 3i5k h LYS 298 N -0.29 0.35 -0.81 1.57 1.57 -1.32 -2.38 116.57 115.26 3i5k h LYS 298 Ca -0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3i5k h LYS 298 Cb 0.23 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3i5k h LYS 298 CO 0.03 0.23 0.35 0.00 -0.57 0.00 0.00 179.45 179.49 3i5k h ALA 299 N 1.10 1.05 -0.24 3.86 0.00 -0.81 -0.09 119.26 124.14 3i5k h ALA 299 Ca 0.10 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3i5k h ALA 299 Cb -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3i5k h ALA 299 CO -0.03 0.65 -0.39 1.25 0.00 0.00 0.00 179.25 180.73 3i5k h LEU 300 N 1.17 0.75 -0.70 0.00 5.85 -1.13 -0.64 115.31 120.61 3i5k h LEU 300 Ca 0.27 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3i5k h LEU 300 Cb 0.18 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3i5k h LEU 300 CO -0.03 1.13 0.37 0.00 -0.34 0.00 0.00 178.44 179.57 3i5k h ALA 301 N 0.64 0.90 -0.52 1.25 0.00 -1.32 -2.46 119.26 117.74 3i5k h ALA 301 Ca 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3i5k h ALA 301 Cb 0.98 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3i5k h ALA 301 CO 0.09 0.43 0.12 0.00 0.00 0.00 0.00 179.25 179.89 3i5k h ALA 302 N 1.18 1.23 -0.72 0.00 0.00 -0.85 -0.10 119.26 120.00 3i5k h ALA 302 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i5k h ALA 302 Cb 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3i5k h ALA 302 CO -0.04 0.53 0.46 0.00 0.00 0.00 0.00 179.25 180.21 3i5k h LYS 304 N 0.92 0.86 -0.56 0.00 1.57 -0.99 0.09 116.57 118.45 3i5k h LYS 304 Ca 0.28 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3i5k h LYS 304 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3i5k h LYS 304 CO -0.09 0.90 0.25 0.00 -0.57 0.00 0.00 179.45 179.94 3i5k h ALA 305 N 0.93 1.39 0.00 3.86 0.00 -0.75 -3.11 119.26 121.57 3i5k h ALA 305 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i5k h ALA 305 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i5k h ALA 305 CO 0.02 0.47 -0.36 0.00 0.00 0.00 0.00 179.25 179.39 3i5k h ALA 306 N 1.48 0.81 -2.42 0.00 0.00 -0.59 -3.48 119.26 115.07 3i5k h ALA 306 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3i5k h ALA 306 Cb 0.12 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.94 3i5k h ALA 306 CO -0.02 0.00 -0.28 0.41 0.00 0.00 0.00 179.25 179.36 3i5k n GLY 307 N 1.18 0.17 3.71 0.00 0.00 -0.13 -4.74 105.19 105.38 3i5k n GLY 307 Ca 0.03 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3i5k n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5k s ILE 308 N -2.87 3.40 -0.30 -0.61 -1.09 -0.34 -4.98 121.20 114.40 3i5k s ILE 308 Ca 0.16 0.99 -0.13 0.00 -2.23 0.00 0.00 60.65 59.43 3i5k s ILE 308 Cb -0.07 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 3i5k s ILE 308 CO 0.19 0.07 0.29 -0.69 -1.23 0.00 0.00 174.94 173.57 3i5k s VAL 309 N 1.26 5.24 -0.97 2.92 1.01 -1.26 -4.56 120.40 124.03 3i5k s VAL 309 Ca 0.64 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 3i5k s VAL 309 Cb -0.36 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3i5k s VAL 309 CO 0.30 0.10 0.85 0.00 0.00 0.00 0.00 175.10 176.34 3i5k n ALA 310 N 5.22 -2.23 -2.02 5.51 0.00 -1.26 -1.03 120.51 124.69 3i5k n ALA 310 Ca -0.11 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3i5k n ALA 310 Cb 0.51 -4.86 -0.03 0.00 0.00 0.00 0.00 19.45 15.07 3i5k n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5k s PRO 311 N -4.41 4.48 -0.20 0.00 0.04 -1.26 -4.30 135.00 129.35 3i5k s PRO 311 Ca 0.35 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.31 3i5k s PRO 311 Cb -0.05 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.31 3i5k s PRO 311 CO 0.67 -0.10 -0.13 0.99 0.04 0.00 0.00 177.00 178.47 3i5k s THR 312 N -0.11 1.78 0.08 1.26 2.01 0.63 -4.97 115.64 116.32 3i5k s THR 312 Ca 0.53 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 61.54 3i5k s THR 312 Cb -0.33 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3i5k s THR 312 CO 0.38 0.25 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.50 3i5k s MET 313 N 1.35 2.55 -0.19 4.92 -1.94 -1.26 -0.66 119.30 124.07 3i5k s MET 313 Ca -0.00 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 3i5k s MET 313 Cb -0.16 -2.54 0.04 0.00 2.01 0.00 0.00 34.83 34.18 3i5k s MET 313 CO -0.09 0.55 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.18 3i5k s LEU 314 N -2.20 2.22 -0.18 -0.03 2.96 -0.54 -4.23 118.68 116.68 3i5k s LEU 314 Ca 0.25 -0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3i5k s LEU 314 Cb -0.12 -1.27 0.01 0.00 0.50 0.00 0.00 46.19 45.31 3i5k s LEU 314 CO 0.17 -0.12 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.25 3i5k s VAL 315 N 1.38 2.54 -0.39 1.68 1.01 0.65 -1.84 120.40 125.43 3i5k s VAL 315 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3i5k s VAL 315 Cb -0.15 -2.10 0.12 0.00 0.00 0.00 0.00 36.38 34.25 3i5k s VAL 315 CO -0.09 0.50 0.17 0.00 0.00 0.00 0.00 175.10 175.68 3i5k n GLY 317 N 4.00 3.27 0.20 0.00 0.00 -1.26 -1.70 105.19 109.70 3i5k n GLY 317 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3i5k n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i5k n ASP 318 N 5.56 0.61 -4.55 1.61 5.75 -1.26 -3.55 116.55 120.72 3i5k n ASP 318 Ca 0.00 -1.49 -0.41 0.00 -0.01 0.00 0.00 54.79 52.87 3i5k n ASP 318 Cb 0.00 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 39.98 3i5k n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i5k s ASP 319 N -1.62 6.32 -0.13 -1.12 -1.08 -0.69 -4.67 116.67 113.69 3i5k s ASP 319 Ca 0.31 -0.05 0.02 0.00 -0.52 0.00 0.00 52.55 52.31 3i5k s ASP 319 Cb 0.15 -2.27 0.01 0.00 -1.46 0.00 0.00 42.92 39.35 3i5k s ASP 319 CO 0.24 -0.50 -0.18 -0.22 0.52 0.00 0.00 175.17 175.03 3i5k s LEU 320 N 2.42 1.88 -0.12 -1.34 2.96 -1.26 -1.30 118.68 121.92 3i5k s LEU 320 Ca 0.19 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3i5k s LEU 320 Cb -0.15 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3i5k s LEU 320 CO 0.14 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.38 3i5k s VAL 321 N 0.99 3.14 -0.18 1.68 1.01 -0.77 -1.63 120.40 124.64 3i5k s VAL 321 Ca -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3i5k s VAL 321 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3i5k s VAL 321 CO -0.03 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.74 3i5k s VAL 322 N 0.13 1.95 -0.20 2.92 1.01 -0.11 -1.47 120.40 124.62 3i5k s VAL 322 Ca -0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3i5k s VAL 322 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3i5k s VAL 322 CO 0.05 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.93 3i5k s ILE 323 N 1.32 3.49 0.34 2.22 1.01 0.17 -1.24 121.20 128.51 3i5k s ILE 323 Ca 0.04 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3i5k s ILE 323 Cb -0.14 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3i5k s ILE 323 CO -0.12 0.44 0.31 -1.54 0.00 0.00 0.00 174.94 174.03 3i5k n SER 324 N 4.49 -0.81 -4.67 3.58 3.41 0.44 -0.27 113.62 119.79 3i5k n SER 324 Ca -0.18 -3.16 -0.43 0.00 -0.26 0.00 0.00 58.87 54.85 3i5k n SER 324 Cb 0.51 1.81 -0.02 0.00 -0.26 0.00 0.00 64.21 66.25 3i5k n SER 324 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i5k s GLU 325 N -3.28 4.29 0.23 4.33 0.41 -0.20 -0.93 118.70 123.55 3i5k s GLU 325 Ca 0.38 1.60 -0.31 0.00 -0.41 0.00 0.00 54.97 56.24 3i5k s GLU 325 Cb 0.02 -3.66 -0.10 0.00 -1.78 0.00 0.00 34.13 28.60 3i5k s GLU 325 CO 0.27 -0.58 1.52 0.45 -0.49 0.00 0.00 175.26 176.43 3i5k s SER 326 N 1.64 6.57 -0.15 -0.19 0.15 0.80 -4.45 113.70 118.08 3i5k s SER 326 Ca 0.53 2.71 0.16 0.00 0.70 0.00 0.00 55.95 60.05 3i5k s SER 326 Cb -0.21 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.19 3i5k s SER 326 CO 0.16 -0.79 1.60 0.00 1.20 0.00 0.00 173.24 175.41 3i5k n GLN 327 N 2.87 3.94 0.00 5.44 1.13 -1.26 -4.92 117.38 124.58 3i5k n GLN 327 Ca 0.10 -2.76 0.00 0.00 -1.94 0.00 0.00 57.00 52.39 3i5k n GLN 327 Cb 0.39 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.75 3i5k n GLN 327 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5k n GLY 328 N 0.91 2.34 0.06 1.08 0.00 -1.26 -4.59 105.19 103.72 3i5k n GLY 328 Ca 0.25 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 3i5k n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i5k h THR 329 N 0.00 1.03 0.02 2.61 2.02 -1.99 0.02 112.91 116.62 3i5k h THR 329 Ca 0.00 -0.19 -0.21 0.00 0.77 0.00 0.00 66.41 66.78 3i5k h THR 329 Cb 0.00 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3i5k h THR 329 CO 0.00 0.05 -0.95 -0.33 0.37 0.00 0.00 175.52 174.66 3i5k h GLU 330 N -0.12 0.19 -0.46 6.66 5.08 -2.00 -2.81 114.58 121.12 3i5k h GLU 330 Ca -0.00 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 3i5k h GLU 330 Cb 0.11 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i5k h GLU 330 CO 0.01 1.00 -0.10 0.93 -1.00 0.00 0.00 179.01 179.84 3i5k h GLU 331 N 0.09 0.88 -0.53 2.33 3.07 -1.79 -1.99 114.58 116.64 3i5k h GLU 331 Ca -0.05 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.36 58.45 3i5k h GLU 331 Cb 1.61 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.44 3i5k h GLU 331 CO 0.14 0.98 0.26 -0.44 -1.40 0.00 0.00 179.01 178.55 3i5k h ASP 332 N 0.72 0.69 -0.45 1.42 3.32 -0.98 0.18 116.42 121.33 3i5k h ASP 332 Ca 0.12 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3i5k h ASP 332 Cb 0.65 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3i5k h ASP 332 CO 0.04 0.62 0.20 -0.33 -1.72 0.00 0.00 179.24 178.06 3i5k h GLU 333 N 0.72 0.39 0.12 3.56 4.39 -1.36 -1.63 114.58 120.77 3i5k h GLU 333 Ca 0.18 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 3i5k h GLU 333 Cb 0.11 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3i5k h GLU 333 CO -0.02 0.26 -0.06 -0.09 -1.16 0.00 0.00 179.01 177.94 3i5k h ARG 334 N 0.40 -0.15 -0.96 2.33 2.43 -1.00 -2.33 114.38 115.10 3i5k h ARG 334 Ca 0.20 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3i5k h ARG 334 Cb 0.14 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3i5k h ARG 334 CO -0.16 -0.10 0.63 -0.91 -1.51 0.00 0.00 179.97 177.92 3i5k h ASN 335 N -0.16 1.05 0.08 -3.80 2.35 -0.40 -1.16 115.58 113.53 3i5k h ASN 335 Ca -0.02 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3i5k h ASN 335 Cb 0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3i5k h ASN 335 CO 0.03 0.72 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.16 3i5k h LEU 336 N 1.22 0.35 -0.42 1.61 4.07 -1.21 0.15 115.31 121.07 3i5k h LEU 336 Ca 0.38 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 3i5k h LEU 336 Cb -0.00 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3i5k h LEU 336 CO -0.11 0.64 0.13 0.03 -1.08 0.00 0.00 178.44 178.05 3i5k h ARG 337 N 0.30 0.65 -0.63 1.13 3.08 -0.76 -1.45 114.38 116.69 3i5k h ARG 337 Ca 0.04 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3i5k h ARG 337 Cb 0.69 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3i5k h ARG 337 CO 0.05 0.63 0.21 0.00 -1.07 0.00 0.00 179.97 179.80 3i5k h ALA 338 N 0.98 0.82 -0.43 0.04 0.00 -0.85 -0.82 119.26 119.00 3i5k h ALA 338 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3i5k h ALA 338 Cb 0.26 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3i5k h ALA 338 CO -0.00 0.47 0.12 0.35 0.00 0.00 0.00 179.25 180.18 3i5k h PHE 339 N 0.89 0.20 -0.54 0.00 3.57 -0.63 -0.46 116.94 119.97 3i5k h PHE 339 Ca 0.20 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3i5k h PHE 339 Cb 0.26 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3i5k h PHE 339 CO 0.02 0.05 0.16 1.15 -2.23 0.00 0.00 178.31 177.46 3i5k h THR 340 N 0.26 1.24 -0.66 4.41 2.02 -0.87 0.23 112.91 119.54 3i5k h THR 340 Ca 0.20 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3i5k h THR 340 Cb 0.23 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3i5k h THR 340 CO -0.24 0.30 0.35 -0.33 0.37 0.00 0.00 175.52 175.97 3i5k h GLU 341 N 0.75 0.92 -0.07 6.66 5.08 -0.87 0.23 114.58 127.29 3i5k h GLU 341 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3i5k h GLU 341 Cb 0.29 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i5k h GLU 341 CO -0.00 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3i5k h ALA 342 N 1.17 0.10 -0.56 3.43 0.00 -0.83 -1.06 119.26 121.50 3i5k h ALA 342 Ca 0.23 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3i5k h ALA 342 Cb 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3i5k h ALA 342 CO -0.04 -0.23 0.10 0.52 0.00 0.00 0.00 179.25 179.61 3i5k h MET 343 N -0.16 0.23 -0.29 0.00 2.86 -0.82 -0.99 114.93 115.76 3i5k h MET 343 Ca 0.02 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i5k h MET 343 Cb 0.33 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3i5k h MET 343 CO 0.00 0.15 0.06 1.15 1.06 0.00 0.00 176.91 179.33 3i5k h THR 344 N 0.23 0.86 -0.83 2.22 2.02 -0.38 0.56 112.91 117.59 3i5k h THR 344 Ca 0.29 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.51 3i5k h THR 344 Cb 0.43 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 3i5k h THR 344 CO -0.39 0.03 0.48 0.03 0.37 0.00 0.00 175.52 176.04 3i5k h ARG 345 N 0.16 0.79 0.00 6.66 3.08 -0.70 0.51 114.38 124.88 3i5k h ARG 345 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i5k h ARG 345 Cb 0.14 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3i5k h ARG 345 CO -0.18 0.52 0.00 0.66 -1.07 0.00 0.00 179.97 179.90 3i5k n TYR 346 N -4.73 0.00 -2.48 3.04 4.01 -0.42 -1.07 117.16 115.52 3i5k n TYR 346 Ca 0.14 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.80 3i5k n TYR 346 Cb 0.27 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 3i5k n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i5k n SER 347 N -0.77 -3.03 -2.98 7.72 2.88 0.17 -4.89 113.62 112.73 3i5k n SER 347 Ca 0.09 -0.30 -0.15 0.00 -1.33 0.00 0.00 58.87 57.18 3i5k n SER 347 Cb 0.04 -2.61 0.01 0.00 -0.75 0.00 0.00 64.21 60.90 3i5k n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5k n ALA 348 N -2.35 0.67 -1.55 -1.46 0.00 0.11 -4.56 120.51 111.36 3i5k n ALA 348 Ca -0.08 -2.48 -0.34 0.00 0.00 0.00 0.00 53.44 50.54 3i5k n ALA 348 Cb 0.57 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 19.02 3i5k n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5k s PRO 349 N -0.81 2.80 0.48 0.00 0.04 -1.26 -3.87 135.00 132.38 3i5k s PRO 349 Ca 0.32 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 3i5k s PRO 349 Cb 0.27 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 3i5k s PRO 349 CO -0.11 -1.28 0.98 -1.25 0.04 0.00 0.00 177.00 175.38 3i5k s PRO 350 N -3.85 4.02 0.00 0.56 0.04 -1.26 -1.39 135.00 133.12 3i5k s PRO 350 Ca 0.70 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3i5k s PRO 350 Cb -0.23 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3i5k s PRO 350 CO 0.39 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3i5k n GLY 351 N -1.10 1.29 3.70 0.56 0.00 0.26 -4.23 105.19 105.67 3i5k n GLY 351 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3i5k n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5k s ASP 352 N -1.00 7.30 0.41 1.61 1.01 -1.26 -4.96 116.67 119.78 3i5k s ASP 352 Ca 0.00 1.58 -0.25 0.00 0.71 0.00 0.00 52.55 54.59 3i5k s ASP 352 Cb 0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 3i5k s ASP 352 CO 0.00 -0.36 1.20 -0.81 0.21 0.00 0.00 175.17 175.41 3i5k n PRO 353 N 4.49 1.77 -2.32 8.23 -0.04 -1.26 -4.26 135.00 141.62 3i5k n PRO 353 Ca 0.07 0.63 -0.36 0.00 -0.04 0.00 0.00 63.50 63.80 3i5k n PRO 353 Cb 0.50 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 3i5k n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3i5k s PRO 354 N -2.11 3.76 -0.05 0.54 0.04 -1.26 -4.99 135.00 130.92 3i5k s PRO 354 Ca 0.61 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.39 3i5k s PRO 354 Cb -0.53 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 3i5k s PRO 354 CO 0.58 -0.53 -0.20 1.03 0.04 0.00 0.00 177.00 177.92 3i5k s ARG 355 N -2.79 2.14 0.10 4.56 0.52 -1.26 -4.97 118.95 117.26 3i5k s ARG 355 Ca 0.64 -0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 54.81 3i5k s ARG 355 Cb -0.26 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 3i5k s ARG 355 CO 0.32 0.29 1.56 -2.14 0.02 0.00 0.00 175.30 175.35 3i5k s PRO 356 N -0.01 4.23 -0.03 3.54 0.02 -1.26 -4.55 135.00 136.94 3i5k s PRO 356 Ca -0.05 2.27 0.07 0.00 0.02 0.00 0.00 61.00 63.31 3i5k s PRO 356 Cb -0.13 -3.40 -0.02 0.00 0.02 0.00 0.00 34.50 30.97 3i5k s PRO 356 CO 0.03 -0.63 -0.24 -1.21 -0.33 0.00 0.00 177.00 174.62 3i5k s GLU 357 N 1.90 2.21 -0.00 5.54 2.02 0.69 -4.96 118.70 126.10 3i5k s GLU 357 Ca 0.70 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.82 3i5k s GLU 357 Cb -0.40 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 31.75 3i5k s GLU 357 CO 0.31 0.56 1.02 0.66 0.02 0.00 0.00 175.26 177.84 3i5k n TYR 358 N 2.44 0.04 -4.67 1.61 4.01 -1.26 -0.93 117.16 118.40 3i5k n TYR 358 Ca -0.16 -0.52 -0.29 0.00 -0.16 0.00 0.00 57.90 56.77 3i5k n TYR 358 Cb 0.51 -0.05 -0.17 0.00 -0.31 0.00 0.00 39.34 39.32 3i5k n TYR 358 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i5k s ASP 359 N -1.06 2.53 0.24 7.72 1.01 -1.26 -5.00 116.67 120.85 3i5k s ASP 359 Ca 0.03 -0.45 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 3i5k s ASP 359 Cb 0.02 -1.15 0.40 0.00 1.01 0.00 0.00 42.92 43.20 3i5k s ASP 359 CO 0.01 0.06 1.80 0.25 0.21 0.00 0.00 175.17 177.50 3i5k h LEU 360 N 7.17 0.62 -0.08 1.23 5.85 -1.97 -1.87 115.31 126.27 3i5k h LEU 360 Ca -0.29 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3i5k h LEU 360 Cb 1.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3i5k h LEU 360 CO 0.49 0.35 0.00 -1.84 -0.34 0.00 0.00 178.44 177.10 3i5k n GLU 361 N -4.78 0.02 0.12 1.25 0.28 -1.26 -0.93 120.64 115.34 3i5k n GLU 361 Ca 0.13 0.32 0.12 0.00 -0.16 0.00 0.00 57.16 57.57 3i5k n GLU 361 Cb 0.29 -1.54 0.10 0.00 1.43 0.00 0.00 31.44 31.72 3i5k n GLU 361 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3i5k h LEU 362 N 0.00 0.00 -9.12 -1.84 3.38 -1.66 -3.42 115.31 102.64 3i5k h LEU 362 Ca 0.00 -0.04 -0.56 0.00 0.09 0.00 0.00 57.88 57.36 3i5k h LEU 362 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3i5k h LEU 362 CO 0.00 0.02 1.06 -0.63 0.09 0.00 0.00 178.44 178.98 3i5k s ILE 363 N -3.27 3.80 -0.18 1.22 -1.09 -0.11 -4.99 121.20 116.58 3i5k s ILE 363 Ca 0.03 0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 59.36 3i5k s ILE 363 Cb 0.09 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3i5k s ILE 363 CO 0.74 -0.20 -0.06 0.42 -1.23 0.00 0.00 174.94 174.61 3i5k s THR 364 N 4.46 3.46 -0.25 2.92 -4.23 -1.26 -4.38 115.64 116.35 3i5k s THR 364 Ca 0.68 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 3i5k s THR 364 Cb -0.26 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 3i5k s THR 364 CO 0.26 0.46 0.01 -0.55 -0.54 0.00 0.00 174.62 174.26 3i5k s SER 365 N 0.92 4.69 -1.47 3.99 0.15 0.73 -4.64 113.70 118.08 3i5k s SER 365 Ca -0.01 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.02 3i5k s SER 365 Cb -0.15 -1.80 0.06 0.00 -1.71 0.00 0.00 66.02 62.42 3i5k s SER 365 CO 0.01 -0.09 0.80 0.00 1.20 0.00 0.00 173.24 175.16 3i5k n SER 367 N -2.90 0.00 -4.82 0.00 7.64 -1.26 -5.00 113.62 107.27 3i5k n SER 367 Ca -0.10 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.50 3i5k n SER 367 Cb 0.59 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 3i5k n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3i5k s SER 368 N -2.76 5.70 0.06 6.43 0.01 -0.14 -4.44 113.70 118.56 3i5k s SER 368 Ca 0.00 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 3i5k s SER 368 Cb 0.00 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 3i5k s SER 368 CO 0.00 0.10 0.01 0.54 0.41 0.00 0.00 173.24 174.30 3i5k s ASN 369 N -2.90 0.42 0.11 2.44 4.22 -0.35 -0.19 114.94 118.70 3i5k s ASN 369 Ca 0.31 -0.95 -0.25 0.00 -2.14 0.00 0.00 52.86 49.83 3i5k s ASN 369 Cb -0.11 0.23 -0.07 0.00 1.28 0.00 0.00 41.25 42.58 3i5k s ASN 369 CO 0.24 -0.63 0.77 -0.69 -2.04 0.00 0.00 177.10 174.75 3i5k s VAL 370 N -3.91 4.53 0.27 3.54 1.01 -1.26 -1.23 120.40 123.35 3i5k s VAL 370 Ca 0.07 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.74 3i5k s VAL 370 Cb 0.07 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3i5k s VAL 370 CO -0.10 0.46 0.20 -0.55 0.00 0.00 0.00 175.10 175.11 3i5k s SER 371 N -0.68 1.03 0.01 3.32 0.15 -0.75 -4.42 113.70 112.35 3i5k s SER 371 Ca 0.37 -1.58 0.01 0.00 0.70 0.00 0.00 55.95 55.45 3i5k s SER 371 Cb -0.22 0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 3i5k s SER 371 CO 0.25 -0.95 -0.04 0.54 1.20 0.00 0.00 173.24 174.24 3i5k s VAL 372 N -3.76 0.31 0.07 4.45 0.11 -1.26 -1.93 120.40 118.38 3i5k s VAL 372 Ca 0.39 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3i5k s VAL 372 Cb 0.05 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3i5k s VAL 372 CO 0.20 -0.06 0.07 0.00 -3.33 0.00 0.00 175.10 171.98 3i5k n ALA 373 N 2.59 0.06 -2.71 1.54 0.00 -0.32 -3.40 120.51 118.27 3i5k n ALA 373 Ca -0.15 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 3i5k n ALA 373 Cb 0.58 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 3i5k n ALA 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i5k s LEU 374 N 0.00 3.50 0.86 0.00 1.43 0.49 -0.54 118.68 124.43 3i5k s LEU 374 Ca 0.07 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 3i5k s LEU 374 Cb 0.00 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.59 3i5k s LEU 374 CO 0.05 0.34 1.18 -0.83 0.23 0.00 0.00 176.35 177.33 3i5k s GLY 375 N -0.68 1.78 0.64 -3.19 0.00 0.62 -1.37 107.32 105.12 3i5k s GLY 375 Ca 0.11 -1.51 0.39 0.00 0.00 0.00 0.00 44.72 43.71 3i5k s GLY 375 CO 0.02 -0.81 2.30 -0.56 0.00 0.00 0.00 173.10 174.06 3i5k h PRO 376 N -1.17 0.00 -0.33 2.90 0.13 -1.88 -1.81 132.00 129.85 3i5k h PRO 376 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 3i5k h PRO 376 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 3i5k h PRO 376 CO 0.37 0.00 0.01 0.54 -0.23 0.00 0.00 178.00 178.69 3i5k n ARG 377 N -3.31 2.83 -0.92 0.86 3.00 -1.26 -4.94 116.66 112.92 3i5k n ARG 377 Ca -0.03 -2.93 0.00 0.00 -0.01 0.00 0.00 57.85 54.88 3i5k n ARG 377 Cb 0.11 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 30.68 3i5k n ARG 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i5k n GLY 378 N -0.57 0.84 3.77 -0.13 0.00 -0.68 -5.03 105.19 103.38 3i5k n GLY 378 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3i5k n GLY 378 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5k s ARG 379 N -0.08 4.45 0.21 1.61 1.81 -1.26 -4.78 118.95 120.91 3i5k s ARG 379 Ca 0.00 1.70 -0.31 0.00 -1.72 0.00 0.00 55.73 55.40 3i5k s ARG 379 Cb 0.00 -2.94 -0.10 0.00 -0.45 0.00 0.00 34.95 31.46 3i5k s ARG 379 CO 0.00 0.07 1.53 1.03 -0.68 0.00 0.00 175.30 177.25 3i5k s ARG 380 N -1.85 4.22 -0.08 3.54 0.52 -1.26 -0.28 118.95 123.76 3i5k s ARG 380 Ca 0.50 2.38 0.01 0.00 -0.52 0.00 0.00 55.73 58.10 3i5k s ARG 380 Cb -0.28 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.08 3i5k s ARG 380 CO 0.36 -0.55 -0.10 1.03 0.02 0.00 0.00 175.30 176.06 3i5k s ARG 381 N 0.45 1.55 0.10 3.54 1.81 0.30 -4.85 118.95 121.86 3i5k s ARG 381 Ca 0.66 -0.33 -0.09 0.00 -1.72 0.00 0.00 55.73 54.25 3i5k s ARG 381 Cb -0.44 -1.40 -0.06 0.00 -0.45 0.00 0.00 34.95 32.60 3i5k s ARG 381 CO 0.37 -0.08 0.42 0.71 -0.68 0.00 0.00 175.30 176.04 3i5k s TYR 382 N 1.03 3.55 0.19 -0.53 2.02 -1.26 -1.17 117.35 121.17 3i5k s TYR 382 Ca -0.08 0.78 -0.19 0.00 -0.37 0.00 0.00 57.07 57.20 3i5k s TYR 382 Cb -0.15 -2.16 0.04 0.00 -0.40 0.00 0.00 41.96 39.30 3i5k s TYR 382 CO -0.00 0.48 0.55 1.52 -1.57 0.00 0.00 175.55 176.53 3i5k s TYR 383 N -1.47 -0.25 -0.09 2.71 -0.85 -0.81 -5.00 117.35 111.58 3i5k s TYR 383 Ca 0.36 -0.07 -0.12 0.00 -0.52 0.00 0.00 57.07 56.72 3i5k s TYR 383 Cb -0.13 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 3i5k s TYR 383 CO 0.19 -0.91 0.28 -1.17 -1.52 0.00 0.00 175.55 172.42 3i5k s LEU 384 N -2.84 4.37 0.35 -3.49 2.96 -1.26 -1.82 118.68 116.95 3i5k s LEU 384 Ca 0.06 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 3i5k s LEU 384 Cb -0.01 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3i5k s LEU 384 CO -0.06 0.28 0.39 0.28 -1.32 0.00 0.00 176.35 175.93 3i5k s THR 385 N -0.57 0.00 0.30 3.68 -1.32 -0.37 -4.78 115.64 112.58 3i5k s THR 385 Ca 0.18 -1.78 -0.20 0.00 -1.21 0.00 0.00 61.69 58.68 3i5k s THR 385 Cb -0.14 -2.60 0.04 0.00 -1.51 0.00 0.00 72.50 68.29 3i5k s THR 385 CO 0.07 0.00 0.77 0.00 -2.21 0.00 0.00 174.62 173.26 3i5k s ARG 386 N -3.16 1.85 0.14 7.08 1.70 -1.26 -1.21 118.95 124.09 3i5k s ARG 386 Ca 0.35 -1.08 -0.31 0.00 -0.47 0.00 0.00 55.73 54.22 3i5k s ARG 386 Cb 0.01 0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 34.88 3i5k s ARG 386 CO 0.25 -0.85 1.52 0.34 -1.08 0.00 0.00 175.30 175.47 3i5k s ASP 387 N -2.98 6.66 0.00 -2.89 3.68 -1.26 -4.91 116.67 114.96 3i5k s ASP 387 Ca 0.13 2.52 0.31 0.00 2.13 0.00 0.00 52.55 57.63 3i5k s ASP 387 Cb -0.05 -2.59 1.70 0.00 -1.45 0.00 0.00 42.92 40.53 3i5k s ASP 387 CO 0.08 -0.78 2.14 -0.81 0.13 0.00 0.00 175.17 175.93 3i5k n PRO 388 N 4.08 0.69 0.01 4.34 -0.04 -1.26 -4.37 135.00 138.45 3i5k n PRO 388 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 3i5k n PRO 388 Cb 0.40 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 3i5k n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i5k h THR 389 N 0.00 0.35 -0.09 0.52 2.02 -1.93 0.40 112.91 114.19 3i5k h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3i5k h THR 389 Cb 0.16 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3i5k h THR 389 CO 0.00 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.52 3i5k h THR 390 N -0.36 1.37 -0.81 3.16 2.02 -1.95 -1.43 112.91 114.92 3i5k h THR 390 Ca 0.09 -1.30 0.19 0.00 0.77 0.00 0.00 66.41 66.17 3i5k h THR 390 Cb 0.51 2.03 -0.12 0.00 -1.74 0.00 0.00 68.15 68.82 3i5k h THR 390 CO -0.32 0.37 0.23 -0.65 0.37 0.00 0.00 175.52 175.52 3i5k h PRO 391 N -0.20 0.28 -0.33 6.66 0.11 -1.80 -1.42 132.00 135.30 3i5k h PRO 391 Ca 0.01 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 3i5k h PRO 391 Cb 0.64 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3i5k h PRO 391 CO 0.03 0.18 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.76 3i5k h LEU 392 N 0.29 0.72 -0.83 2.35 3.38 -0.72 0.01 115.31 120.50 3i5k h LEU 392 Ca 0.48 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3i5k h LEU 392 Cb 0.87 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3i5k h LEU 392 CO -0.55 0.97 0.49 0.00 0.09 0.00 0.00 178.44 179.44 3i5k h ALA 393 N 0.77 1.06 -0.30 1.53 0.00 -0.99 -1.45 119.26 119.88 3i5k h ALA 393 Ca 0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3i5k h ALA 393 Cb 0.71 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i5k h ALA 393 CO 0.05 0.54 -0.43 0.00 0.00 0.00 0.00 179.25 179.41 3i5k h ARG 394 N 1.14 0.82 -0.54 0.00 3.08 -1.18 -2.48 114.38 115.22 3i5k h ARG 394 Ca 0.30 -0.48 0.10 0.00 0.07 0.00 0.00 59.98 59.97 3i5k h ARG 394 Cb -0.03 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 3i5k h ARG 394 CO -0.05 1.11 0.08 0.00 -1.07 0.00 0.00 179.97 180.04 3i5k h ALA 395 N 0.69 0.60 0.00 0.04 0.00 -0.65 0.10 119.26 120.04 3i5k h ALA 395 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i5k h ALA 395 Cb 1.03 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i5k h ALA 395 CO 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 179.25 179.02 3i5k h ALA 396 N 1.45 -0.00 -0.39 0.00 0.00 -1.19 -0.78 119.26 118.34 3i5k h ALA 396 Ca 0.28 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3i5k h ALA 396 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i5k h ALA 396 CO -0.39 -0.50 0.25 2.35 0.00 0.00 0.00 179.25 180.97 3i5k h TRP 397 N -0.00 0.48 0.00 0.00 2.91 -1.16 -2.42 115.95 115.76 3i5k h TRP 397 Ca -0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3i5k h TRP 397 Cb 0.00 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.49 3i5k h TRP 397 CO -0.08 0.30 0.00 0.39 -1.03 0.00 0.00 178.44 178.02 3i5k n GLU 398 N -4.82 0.01 0.07 2.65 1.02 0.33 -0.56 120.64 119.33 3i5k n GLU 398 Ca 0.00 0.13 -0.19 0.00 -0.02 0.00 0.00 57.16 57.09 3i5k n GLU 398 Cb 0.03 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 3i5k n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3i5k h THR 399 N 0.00 1.32 0.00 2.62 2.02 -0.63 -3.39 112.91 114.85 3i5k h THR 399 Ca 0.00 -2.41 -0.35 0.00 0.77 0.00 0.00 66.41 64.43 3i5k h THR 399 Cb 0.36 2.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 3i5k h THR 399 CO 0.00 0.73 -2.26 0.55 0.37 0.00 0.00 175.52 174.91 3i5k n VAL 400 N -3.79 1.39 -3.95 3.16 3.14 -0.95 -4.79 118.33 112.54 3i5k n VAL 400 Ca -0.11 -0.84 -0.34 0.00 -2.96 0.00 0.00 64.34 60.09 3i5k n VAL 400 Cb 0.91 -0.55 -0.14 0.00 -1.06 0.00 0.00 33.84 33.00 3i5k n VAL 400 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3i5k s ARG 401 N -2.54 2.68 0.01 1.45 1.81 0.27 -5.09 118.95 117.55 3i5k s ARG 401 Ca -0.09 -1.08 -0.30 0.00 -1.72 0.00 0.00 55.73 52.54 3i5k s ARG 401 Cb 0.07 -3.03 -0.06 0.00 -0.45 0.00 0.00 34.95 31.47 3i5k s ARG 401 CO 0.83 -0.47 1.51 -1.58 -0.68 0.00 0.00 175.30 174.91 3i5k s HIS 402 N 1.29 2.62 -0.18 -0.53 5.65 -1.26 -4.15 115.29 118.74 3i5k s HIS 402 Ca -0.02 0.59 -0.10 0.00 0.25 0.00 0.00 55.06 55.79 3i5k s HIS 402 Cb -0.18 -3.78 -0.05 0.00 -1.18 0.00 0.00 32.58 27.39 3i5k s HIS 402 CO -0.04 -3.04 0.15 -1.12 -0.65 0.00 0.00 174.74 170.04 3i5k s SER 403 N 2.20 6.27 0.26 9.88 0.01 -1.26 -4.99 113.70 126.06 3i5k s SER 403 Ca 0.68 0.31 -0.04 0.00 1.31 0.00 0.00 55.95 58.21 3i5k s SER 403 Cb -0.34 -2.09 0.34 0.00 0.21 0.00 0.00 66.02 64.14 3i5k s SER 403 CO 0.28 0.22 1.90 -0.65 0.41 0.00 0.00 173.24 175.40 3i5k h PRO 404 N 6.30 1.19 -4.60 12.44 0.11 -1.94 -3.35 132.00 142.15 3i5k h PRO 404 Ca -0.44 -0.07 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 3i5k h PRO 404 Cb 1.17 -0.27 -0.38 0.00 0.11 0.00 0.00 31.00 31.63 3i5k h PRO 404 CO 0.72 0.79 -0.78 0.42 -0.21 0.00 0.00 178.00 178.94 3i5k s ILE 405 N -6.07 1.89 0.68 4.15 -1.09 -1.26 -4.31 121.20 115.18 3i5k s ILE 405 Ca -0.13 -1.57 -0.01 0.00 -2.23 0.00 0.00 60.65 56.72 3i5k s ILE 405 Cb 0.19 -2.13 0.14 0.00 -1.58 0.00 0.00 42.46 39.08 3i5k s ILE 405 CO 0.81 -0.16 0.93 -0.46 -1.23 0.00 0.00 174.94 174.83 3i5k n ASN 406 N 4.51 1.16 0.00 3.58 0.23 -0.39 -4.78 115.26 119.58 3i5k n ASN 406 Ca -0.10 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 3i5k n ASN 406 Cb 0.43 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 3i5k n ASN 406 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3i5k n SER 407 N -2.96 4.90 -0.06 0.53 3.41 -1.26 -1.54 113.62 116.63 3i5k n SER 407 Ca 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.78 3i5k n SER 407 Cb 0.54 0.45 0.33 0.00 -0.26 0.00 0.00 64.21 65.27 3i5k n SER 407 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3i5k h TRP 408 N 0.00 0.65 -0.09 7.33 5.08 -1.91 -1.03 115.95 125.98 3i5k h TRP 408 Ca 0.00 -0.01 -0.20 0.00 1.08 0.00 0.00 58.89 59.77 3i5k h TRP 408 Cb 1.00 -0.21 -0.00 0.00 -3.00 0.00 0.00 29.16 26.95 3i5k h TRP 408 CO 0.00 0.47 -0.75 1.25 -1.28 0.00 0.00 178.44 178.12 3i5k h LEU 409 N 0.67 0.60 -0.86 0.11 5.85 -1.94 -1.29 115.31 118.45 3i5k h LEU 409 Ca 0.17 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3i5k h LEU 409 Cb 0.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3i5k h LEU 409 CO -0.03 1.15 0.54 1.23 -0.34 0.00 0.00 178.44 180.99 3i5k h GLY 410 N 1.10 1.24 0.85 3.75 0.00 -1.61 -1.85 103.07 106.55 3i5k h GLY 410 Ca -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3i5k h GLY 410 CO 0.14 0.48 0.01 3.43 0.00 0.00 0.00 176.54 180.60 3i5k h ASN 411 N 1.18 0.40 -0.65 0.19 -0.26 -1.04 0.51 115.58 115.91 3i5k h ASN 411 Ca 0.31 -0.29 0.13 0.00 -0.56 0.00 0.00 56.30 55.88 3i5k h ASN 411 Cb -0.08 -0.11 -0.09 0.00 -1.06 0.00 0.00 38.32 36.98 3i5k h ASN 411 CO -0.06 0.60 0.16 0.40 -1.06 0.00 0.00 177.43 177.47 3i5k h ILE 412 N 0.20 0.62 0.10 2.81 2.04 -1.15 0.14 117.51 122.27 3i5k h ILE 412 Ca 0.07 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3i5k h ILE 412 Cb 0.38 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3i5k h ILE 412 CO 0.01 0.05 -0.05 0.40 0.00 0.00 0.00 178.15 178.56 3i5k h ILE 413 N 0.29 1.11 -0.73 -0.67 2.04 -1.07 -1.33 117.51 117.15 3i5k h ILE 413 Ca 0.35 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3i5k h ILE 413 Cb 0.54 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 3i5k h ILE 413 CO -0.43 0.26 0.37 1.56 0.00 0.00 0.00 178.15 179.92 3i5k h GLN 414 N -0.70 1.02 -0.24 2.37 4.20 -0.82 -3.27 115.11 117.67 3i5k h GLN 414 Ca -0.01 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 3i5k h GLN 414 Cb 0.54 -0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 3i5k h GLN 414 CO 0.02 0.78 -0.11 0.66 -0.67 0.00 0.00 178.83 179.51 3i5k n TYR 415 N -4.34 0.78 -0.28 2.96 4.01 0.49 -4.81 117.16 115.97 3i5k n TYR 415 Ca 0.07 -1.36 0.13 0.00 -0.16 0.00 0.00 57.90 56.58 3i5k n TYR 415 Cb 0.12 -0.38 0.38 0.00 -0.31 0.00 0.00 39.34 39.15 3i5k n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i5k h ALA 416 N 1.05 1.85 0.00 -0.72 0.00 -1.30 -0.92 119.26 119.22 3i5k h ALA 416 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i5k h ALA 416 Cb 1.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3i5k h ALA 416 CO 0.26 -0.12 0.00 -0.35 0.00 0.00 0.00 179.25 179.04 3i5k n PRO 417 N -4.59 0.88 -2.68 0.00 -0.04 -1.26 -4.47 135.00 122.84 3i5k n PRO 417 Ca 0.19 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.32 3i5k n PRO 417 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 3i5k n PRO 417 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i5k s THR 418 N -2.07 4.32 0.35 0.52 -4.23 -0.35 -4.91 115.64 109.27 3i5k s THR 418 Ca 0.43 1.37 0.08 0.00 -1.18 0.00 0.00 61.69 62.39 3i5k s THR 418 Cb 0.20 -3.59 0.12 0.00 1.34 0.00 0.00 72.50 70.57 3i5k s THR 418 CO 0.36 -0.38 1.84 -0.29 -0.54 0.00 0.00 174.62 175.60 3i5k h ILE 419 N 1.63 1.22 -0.02 2.99 2.10 -1.90 -2.55 117.51 120.98 3i5k h ILE 419 Ca -0.49 -1.03 -0.20 0.00 1.08 0.00 0.00 64.86 64.23 3i5k h ILE 419 Cb 1.19 1.35 -0.01 0.00 -1.09 0.00 0.00 36.82 38.26 3i5k h ILE 419 CO 0.61 0.32 -0.84 4.11 -1.08 0.00 0.00 178.15 181.27 3i5k h TRP 420 N 0.24 0.46 0.05 2.19 5.08 -1.93 -0.88 115.95 121.17 3i5k h TRP 420 Ca 0.04 -0.23 -0.00 0.00 1.08 0.00 0.00 58.89 59.78 3i5k h TRP 420 Cb 0.52 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 3i5k h TRP 420 CO 0.01 1.02 -0.03 0.28 -1.28 0.00 0.00 178.44 178.44 3i5k h VAL 421 N 0.20 1.22 -0.40 0.12 2.07 -1.78 -1.77 116.25 115.91 3i5k h VAL 421 Ca -0.05 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3i5k h VAL 421 Cb 1.44 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 3i5k h VAL 421 CO 0.14 0.24 0.20 0.03 0.02 0.00 0.00 177.57 178.20 3i5k h ARG 422 N -0.51 0.56 0.11 1.57 3.08 -1.46 0.38 114.38 118.11 3i5k h ARG 422 Ca -0.01 -0.08 -0.31 0.00 0.07 0.00 0.00 59.98 59.65 3i5k h ARG 422 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3i5k h ARG 422 CO 0.01 0.48 -1.63 0.52 -1.07 0.00 0.00 179.97 178.28 3i5k h MET 423 N 0.50 0.23 0.00 0.04 2.86 -1.26 -3.37 114.93 113.94 3i5k h MET 423 Ca 0.14 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 3i5k h MET 423 Cb 0.09 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3i5k h MET 423 CO -0.02 1.07 -1.00 0.28 1.06 0.00 0.00 176.91 178.30 3i5k n VAL 424 N -3.42 1.44 -0.03 -2.22 0.31 -0.72 -4.30 118.33 109.39 3i5k n VAL 424 Ca -0.19 0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 3i5k n VAL 424 Cb 1.05 -2.18 -0.08 0.00 -0.91 0.00 0.00 33.84 31.72 3i5k n VAL 424 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5k h LEU 425 N -0.83 0.20 -0.28 7.52 4.07 -0.83 -1.13 115.31 124.03 3i5k h LEU 425 Ca -0.07 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3i5k h LEU 425 Cb 0.91 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 3i5k h LEU 425 CO -0.04 0.59 0.18 0.24 -1.08 0.00 0.00 178.44 178.33 3i5k h MET 426 N -0.20 0.36 -0.01 1.13 2.86 -0.47 -1.34 114.93 117.26 3i5k h MET 426 Ca 0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3i5k h MET 426 Cb 0.53 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3i5k h MET 426 CO 0.02 0.24 -0.12 1.15 1.06 0.00 0.00 176.91 179.25 3i5k h THR 427 N 0.37 0.69 0.08 2.22 2.02 -1.70 -1.69 112.91 114.89 3i5k h THR 427 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3i5k h THR 427 Cb -0.04 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3i5k h THR 427 CO -0.03 0.00 -0.04 -0.74 0.37 0.00 0.00 175.52 175.09 3i5k h HIS 428 N -0.21 -0.09 -0.21 3.16 6.17 -1.11 -1.94 115.15 120.92 3i5k h HIS 428 Ca 0.05 -0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.95 3i5k h HIS 428 Cb 0.27 0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.23 3i5k h HIS 428 CO -0.19 0.06 -0.59 0.74 0.71 0.00 0.00 177.93 178.67 3i5k h PHE 429 N -0.24 0.86 -0.47 5.26 0.04 -1.23 -0.39 116.94 120.77 3i5k h PHE 429 Ca -0.01 -0.32 -0.06 0.00 2.80 0.00 0.00 57.97 60.38 3i5k h PHE 429 Cb 0.20 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3i5k h PHE 429 CO -0.03 1.10 0.06 0.74 -0.60 0.00 0.00 178.31 179.58 3i5k h PHE 430 N 0.51 0.76 0.41 -0.55 -1.00 -1.34 0.41 116.94 116.13 3i5k h PHE 430 Ca 0.00 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 3i5k h PHE 430 Cb 1.17 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 3i5k h PHE 430 CO 0.06 0.68 -0.27 1.03 -1.61 0.00 0.00 178.31 178.20 3i5k h SER 431 N 0.70 -0.68 -0.86 2.17 0.87 -1.18 -2.49 113.55 112.07 3i5k h SER 431 Ca 0.15 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.83 3i5k h SER 431 Cb 0.35 0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 3i5k h SER 431 CO 0.01 -0.42 0.52 0.40 -0.53 0.00 0.00 176.83 176.81 3i5k h ILE 432 N -0.65 1.00 -0.54 2.23 1.08 -0.84 -1.39 117.51 118.39 3i5k h ILE 432 Ca -0.04 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 3i5k h ILE 432 Cb 0.55 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 3i5k h ILE 432 CO 0.03 0.17 0.16 -0.07 -0.69 0.00 0.00 178.15 177.75 3i5k h LEU 433 N 0.93 0.74 -0.54 1.44 3.38 -0.89 -0.54 115.31 119.83 3i5k h LEU 433 Ca 0.39 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 3i5k h LEU 433 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3i5k h LEU 433 CO -0.20 0.71 -0.48 0.24 0.09 0.00 0.00 178.44 178.80 3i5k h MET 434 N 0.78 0.63 -0.79 1.13 2.86 -0.92 0.83 114.93 119.46 3i5k h MET 434 Ca 0.18 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3i5k h MET 434 Cb 0.24 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3i5k h MET 434 CO -0.01 0.97 0.40 0.28 1.06 0.00 0.00 176.91 179.62 3i5k h VAL 435 N 0.50 1.24 0.00 -2.22 2.07 -0.79 -2.39 116.25 114.67 3i5k h VAL 435 Ca 0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3i5k h VAL 435 Cb 1.02 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3i5k h VAL 435 CO 0.10 0.28 -0.20 0.00 0.02 0.00 0.00 177.57 177.76 3i5k n GLN 436 N -4.40 0.20 -3.74 1.57 6.02 -0.25 -4.96 117.38 111.83 3i5k n GLN 436 Ca 0.07 0.13 -0.24 0.00 -0.01 0.00 0.00 57.00 56.95 3i5k n GLN 436 Cb 0.11 -1.70 0.04 0.00 1.02 0.00 0.00 30.24 29.71 3i5k n GLN 436 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3i5k n ASP 437 N -2.03 -2.71 -0.76 1.08 2.03 0.14 -4.93 116.55 109.38 3i5k n ASP 437 Ca 0.05 -0.78 0.06 0.00 0.52 0.00 0.00 54.79 54.64 3i5k n ASP 437 Cb 0.41 -4.14 0.15 0.00 -0.72 0.00 0.00 41.12 36.82 3i5k n ASP 437 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3i5k n THR 438 N -4.45 1.52 -0.14 5.18 -2.24 -0.35 -4.85 114.28 108.96 3i5k n THR 438 Ca -0.17 -2.43 -0.04 0.00 -2.27 0.00 0.00 64.05 59.14 3i5k n THR 438 Cb 0.62 0.10 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3i5k n THR 438 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i5k h LEU 439 N 0.84 -0.08 -7.01 3.22 3.38 -1.92 -3.31 115.31 110.43 3i5k h LEU 439 Ca -0.06 0.09 -0.77 0.00 0.09 0.00 0.00 57.88 57.24 3i5k h LEU 439 Cb 1.24 0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.94 3i5k h LEU 439 CO 0.02 -0.01 1.45 -0.67 0.09 0.00 0.00 178.44 179.33 3i5k n ASP 440 N -5.15 5.41 -3.61 -0.43 2.03 -1.26 -4.21 116.55 109.33 3i5k n ASP 440 Ca 0.04 -3.12 -0.01 0.00 0.52 0.00 0.00 54.79 52.21 3i5k n ASP 440 Cb 0.22 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.12 3i5k n ASP 440 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3i5k s GLN 441 N -0.02 0.54 0.26 -0.67 0.74 -1.25 -5.10 119.66 114.16 3i5k s GLN 441 Ca 0.38 1.27 -0.30 0.00 0.05 0.00 0.00 55.36 56.76 3i5k s GLN 441 Cb 0.03 0.66 -0.11 0.00 1.10 0.00 0.00 33.01 34.70 3i5k s GLN 441 CO 0.01 -0.17 1.55 -0.80 -0.55 0.00 0.00 175.29 175.33 3i5k s ASN 442 N 2.58 6.49 0.03 6.67 -0.87 -1.26 -4.29 114.94 124.29 3i5k s ASN 442 Ca -0.06 2.82 0.08 0.00 -1.57 0.00 0.00 52.86 54.13 3i5k s ASN 442 Cb -0.10 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.25 38.48 3i5k s ASN 442 CO -0.19 -0.84 -0.24 -0.76 -2.57 0.00 0.00 177.10 172.51 3i5k s LEU 443 N -0.20 2.14 0.07 0.60 1.43 -0.02 -4.92 118.68 117.78 3i5k s LEU 443 Ca 0.63 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 3i5k s LEU 443 Cb -0.46 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 3i5k s LEU 443 CO 0.44 0.23 0.53 0.20 0.23 0.00 0.00 176.35 177.98 3i5k s ASN 444 N -1.08 6.97 0.19 2.29 0.02 -1.26 -1.70 114.94 120.38 3i5k s ASN 444 Ca 0.10 1.17 -0.09 0.00 -1.02 0.00 0.00 52.86 53.01 3i5k s ASN 444 Cb -0.09 -2.32 -0.01 0.00 0.02 0.00 0.00 41.25 38.84 3i5k s ASN 444 CO 0.01 0.26 0.32 0.72 0.02 0.00 0.00 177.10 178.44 3i5k s PHE 445 N -1.15 0.45 -0.15 2.20 -0.12 -0.28 -1.26 117.98 117.67 3i5k s PHE 445 Ca 0.29 -0.80 -0.08 0.00 -0.05 0.00 0.00 56.93 56.29 3i5k s PHE 445 Cb -0.18 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3i5k s PHE 445 CO 0.18 -0.78 0.13 -2.00 -0.05 0.00 0.00 175.22 172.70 3i5k s GLU 446 N -4.00 3.73 -0.15 1.99 2.56 -0.59 -1.22 118.70 121.03 3i5k s GLU 446 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 54.97 54.92 3i5k s GLU 446 Cb 0.03 -3.28 0.06 0.00 2.00 0.00 0.00 34.13 32.94 3i5k s GLU 446 CO 0.03 0.58 0.36 1.41 -0.56 0.00 0.00 175.26 177.08 3i5k s MET 447 N -0.46 0.32 -1.58 4.30 -2.45 -0.55 -4.40 119.30 114.47 3i5k s MET 447 Ca 0.12 0.73 -0.17 0.00 -1.25 0.00 0.00 55.69 55.13 3i5k s MET 447 Cb -0.12 -0.03 0.14 0.00 1.25 0.00 0.00 34.83 36.08 3i5k s MET 447 CO 0.02 -0.17 0.71 0.66 1.05 0.00 0.00 175.02 177.29 3i5k n TYR 448 N 4.40 -1.76 -0.93 4.11 4.02 -1.26 -1.83 117.16 123.91 3i5k n TYR 448 Ca -0.22 0.71 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 3i5k n TYR 448 Cb 0.54 -2.88 0.00 0.00 -0.02 0.00 0.00 39.34 36.98 3i5k n TYR 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5k n GLY 449 N -1.32 0.61 3.68 2.72 0.00 -1.26 -4.19 105.19 105.44 3i5k n GLY 449 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3i5k n GLY 449 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i5k n SER 450 N -0.09 2.84 -4.55 1.61 3.41 -0.76 0.02 113.62 116.10 3i5k n SER 450 Ca 0.00 -3.28 -0.34 0.00 -0.26 0.00 0.00 58.87 54.99 3i5k n SER 450 Cb 0.05 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 64.44 3i5k n SER 450 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i5k s VAL 451 N -2.96 3.67 0.14 -3.33 1.01 -0.17 -1.48 120.40 117.28 3i5k s VAL 451 Ca 0.06 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3i5k s VAL 451 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3i5k s VAL 451 CO 0.04 0.57 -0.08 -0.31 0.00 0.00 0.00 175.10 175.32 3i5k s TYR 452 N -0.50 1.16 -0.08 5.22 2.02 -0.36 -0.94 117.35 123.87 3i5k s TYR 452 Ca 0.07 -0.82 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 3i5k s TYR 452 Cb -0.12 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.85 3i5k s TYR 452 CO 0.02 -0.00 -0.08 0.45 -1.57 0.00 0.00 175.55 174.37 3i5k s SER 453 N -3.14 1.81 0.00 2.29 0.15 -0.25 -1.12 113.70 113.44 3i5k s SER 453 Ca 0.16 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.56 3i5k s SER 453 Cb 0.04 -0.74 -0.00 0.00 -1.71 0.00 0.00 66.02 63.61 3i5k s SER 453 CO -0.01 -0.07 -0.00 -0.69 1.20 0.00 0.00 173.24 173.67 3i5k s VAL 454 N 1.29 0.01 -0.20 4.45 1.01 -0.69 -3.19 120.40 123.09 3i5k s VAL 454 Ca -0.04 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3i5k s VAL 454 Cb -0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 3i5k s VAL 454 CO -0.03 -0.03 0.89 0.21 0.00 0.00 0.00 175.10 176.14 3i5k s ASN 455 N -0.08 6.97 0.58 3.32 3.84 -1.26 -0.84 114.94 127.46 3i5k s ASN 455 Ca -0.01 1.20 0.28 0.00 0.21 0.00 0.00 52.86 54.54 3i5k s ASN 455 Cb -0.01 -2.47 1.53 0.00 -0.55 0.00 0.00 41.25 39.75 3i5k s ASN 455 CO -0.00 -0.50 1.99 -0.65 -2.79 0.00 0.00 177.10 175.15 3i5k h PRO 456 N 7.45 0.00 0.00 0.43 0.11 -1.76 0.22 132.00 138.46 3i5k h PRO 456 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3i5k h PRO 456 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i5k h PRO 456 CO 0.88 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 3i5k n LEU 457 N -3.87 0.33 -0.83 2.35 4.77 -1.26 -2.09 117.00 116.40 3i5k n LEU 457 Ca 0.06 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 3i5k n LEU 457 Cb 0.53 -0.57 0.27 0.00 -2.33 0.00 0.00 43.42 41.32 3i5k n LEU 457 CO 0.29 -0.48 0.73 0.47 -1.33 0.00 0.00 177.39 177.06 3i5k n ASP 458 N -1.88 2.55 -0.25 -1.43 8.00 0.77 -4.57 116.55 119.74 3i5k n ASP 458 Ca 0.02 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.68 3i5k n ASP 458 Cb 0.16 -0.07 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 3i5k n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i5k h LEU 459 N 3.72 0.57 -0.43 0.64 3.38 -1.52 -1.52 115.31 120.16 3i5k h LEU 459 Ca 0.00 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3i5k h LEU 459 Cb 0.80 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 3i5k h LEU 459 CO 0.00 0.35 0.08 -0.65 0.09 0.00 0.00 178.44 178.31 3i5k h PRO 460 N 0.70 0.21 -0.35 1.13 0.11 -1.83 0.17 132.00 132.14 3i5k h PRO 460 Ca 0.34 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 3i5k h PRO 460 Cb 0.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3i5k h PRO 460 CO -0.22 0.14 -0.28 0.00 -0.21 0.00 0.00 178.00 177.43 3i5k h ALA 461 N 1.33 0.86 -0.14 -0.75 0.00 -1.84 -1.15 119.26 117.56 3i5k h ALA 461 Ca 0.21 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3i5k h ALA 461 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i5k h ALA 461 CO -0.27 0.63 0.01 0.82 0.00 0.00 0.00 179.25 180.44 3i5k h ILE 462 N 0.62 1.23 -0.47 0.00 2.04 -0.79 -1.22 117.51 118.92 3i5k h ILE 462 Ca 0.08 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3i5k h ILE 462 Cb 0.79 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3i5k h ILE 462 CO 0.07 0.22 0.23 0.40 0.00 0.00 0.00 178.15 179.07 3i5k h ILE 463 N -0.01 1.18 -0.41 -0.67 2.04 -0.64 -1.63 117.51 117.37 3i5k h ILE 463 Ca 0.04 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.41 3i5k h ILE 463 Cb 0.33 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3i5k h ILE 463 CO 0.00 0.20 0.22 -0.08 0.00 0.00 0.00 178.15 178.49 3i5k h GLU 464 N 0.62 0.42 -0.42 2.37 4.81 -1.17 0.26 114.58 121.48 3i5k h GLU 464 Ca 0.16 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 3i5k h GLU 464 Cb 0.11 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3i5k h GLU 464 CO -0.02 0.28 0.11 -0.09 -0.73 0.00 0.00 179.01 178.56 3i5k h ARG 465 N 0.44 0.25 0.23 1.92 9.65 -0.85 0.33 114.38 126.36 3i5k h ARG 465 Ca 0.17 -0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.71 3i5k h ARG 465 Cb 0.06 -0.06 0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3i5k h ARG 465 CO -0.10 0.16 -1.46 -0.07 2.80 0.00 0.00 179.97 181.30 3i5k h LEU 466 N 0.26 0.76 0.00 3.80 3.38 -0.98 -3.40 115.31 119.13 3i5k h LEU 466 Ca 0.20 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3i5k h LEU 466 Cb 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i5k h LEU 466 CO -0.24 1.65 -0.25 1.41 0.09 0.00 0.00 178.44 181.11 3i5k n HIS 467 N -3.68 0.00 -0.02 1.13 8.25 0.89 -4.66 115.22 117.14 3i5k n HIS 467 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3i5k n HIS 467 Cb 1.09 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 32.19 3i5k n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i5k n GLY 468 N 1.19 -2.32 0.35 -1.41 0.00 0.12 -4.25 105.19 98.87 3i5k n GLY 468 Ca 0.01 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 44.74 3i5k n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5k h LEU 469 N -0.02 0.00 -1.77 0.99 3.38 -1.89 -2.11 115.31 113.90 3i5k h LEU 469 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3i5k h LEU 469 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3i5k h LEU 469 CO 0.00 0.00 0.40 0.44 0.09 0.00 0.00 178.44 179.37 3i5k h ASP 470 N 0.00 0.22 -0.06 -0.43 3.32 -1.96 -2.24 116.42 115.28 3i5k h ASP 470 Ca 0.08 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3i5k h ASP 470 Cb 0.60 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3i5k h ASP 470 CO -0.00 0.13 0.24 0.00 -1.72 0.00 0.00 179.24 177.89 3i5k h ALA 471 N 1.72 1.38 -0.16 3.45 0.00 -1.55 -0.42 119.26 123.67 3i5k h ALA 471 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3i5k h ALA 471 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i5k h ALA 471 CO -0.06 -0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.11 3i5k n PHE 472 N -3.12 0.18 -0.84 0.00 3.72 -0.84 -4.46 117.46 112.11 3i5k n PHE 472 Ca -0.01 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3i5k n PHE 472 Cb 0.32 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3i5k n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3i5k n SER 473 N 1.19 0.23 -4.77 4.37 7.64 -0.28 -4.53 113.62 117.47 3i5k n SER 473 Ca 0.17 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 3i5k n SER 473 Cb 0.55 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.76 3i5k n SER 473 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3i5k n MET 474 N -0.03 2.43 -3.90 1.43 1.56 -0.54 -4.22 117.12 113.85 3i5k n MET 474 Ca 0.00 0.86 -0.08 0.00 -0.27 0.00 0.00 57.70 58.21 3i5k n MET 474 Cb 0.31 -2.64 -0.02 0.00 2.15 0.00 0.00 33.22 33.02 3i5k n MET 474 CO 0.00 0.00 0.00 -3.38 -0.73 0.00 0.00 175.97 171.86 3i5k s HIS 475 N -1.16 0.07 -1.13 1.12 -3.43 -0.47 -4.98 115.29 105.31 3i5k s HIS 475 Ca 0.57 -0.53 -0.07 0.00 -0.80 0.00 0.00 55.06 54.23 3i5k s HIS 475 Cb -0.46 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 3i5k s HIS 475 CO 0.60 -1.23 0.87 2.41 -2.00 0.00 0.00 174.74 175.40 3i5k n THR 476 N -0.46 -7.36 -1.20 -5.38 -1.04 -1.26 -0.38 114.28 97.21 3i5k n THR 476 Ca -0.04 -1.02 -0.31 0.00 -2.04 0.00 0.00 64.05 60.63 3i5k n THR 476 Cb 0.60 -5.46 0.10 0.00 -1.82 0.00 0.00 70.33 63.75 3i5k n THR 476 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3i5k s TYR 477 N -3.44 2.41 0.60 -1.42 2.02 -1.26 -4.03 117.35 112.23 3i5k s TYR 477 Ca 0.33 1.60 -0.16 0.00 -0.37 0.00 0.00 57.07 58.47 3i5k s TYR 477 Cb -0.06 -3.11 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 3i5k s TYR 477 CO 0.77 -1.97 1.07 -1.54 -1.57 0.00 0.00 175.55 172.31 3i5k s SER 478 N -3.20 5.66 0.31 2.29 1.04 -1.22 -4.85 113.70 113.73 3i5k s SER 478 Ca 0.63 1.86 -0.00 0.00 0.48 0.00 0.00 55.95 58.92 3i5k s SER 478 Cb -0.18 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 63.90 3i5k s SER 478 CO 0.55 -1.25 1.95 0.45 0.98 0.00 0.00 173.24 175.93 3i5k h HIS 479 N 0.40 0.92 -0.72 5.02 3.86 -1.95 -0.29 115.15 122.39 3i5k h HIS 479 Ca -0.47 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.72 3i5k h HIS 479 Cb 1.23 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 3i5k h HIS 479 CO 0.57 0.62 0.36 0.45 0.86 0.00 0.00 177.93 180.79 3i5k h HIS 480 N 0.97 1.03 0.02 2.45 3.86 -1.99 0.11 115.15 121.60 3i5k h HIS 480 Ca 0.25 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3i5k h HIS 480 Cb -0.03 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.11 3i5k h HIS 480 CO 0.00 0.75 -0.01 1.49 0.86 0.00 0.00 177.93 181.02 3i5k h GLU 481 N 1.01 -0.03 -0.65 2.45 4.57 -1.88 -2.22 114.58 117.82 3i5k h GLU 481 Ca 0.25 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.49 3i5k h GLU 481 Cb 0.09 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 3i5k h GLU 481 CO -0.03 0.41 0.36 -0.07 -1.18 0.00 0.00 179.01 178.50 3i5k h LEU 482 N -0.48 0.55 -0.64 1.64 3.38 -0.97 -1.26 115.31 117.52 3i5k h LEU 482 Ca -0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i5k h LEU 482 Cb 0.45 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3i5k h LEU 482 CO 0.01 0.36 0.42 0.74 0.09 0.00 0.00 178.44 180.06 3i5k h THR 483 N 0.68 1.16 -0.20 0.22 2.02 -0.79 -0.11 112.91 115.90 3i5k h THR 483 Ca 0.29 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3i5k h THR 483 Cb 0.17 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3i5k h THR 483 CO -0.17 0.16 0.08 -0.09 0.37 0.00 0.00 175.52 175.87 3i5k h ARG 484 N 0.86 0.29 0.33 6.66 2.43 -0.92 -1.28 114.38 122.76 3i5k h ARG 484 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3i5k h ARG 484 Cb -0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3i5k h ARG 484 CO -0.06 0.35 -0.22 0.28 -1.51 0.00 0.00 179.97 178.81 3i5k h VAL 485 N 0.17 0.53 -0.96 0.20 2.07 -1.10 -1.84 116.25 115.32 3i5k h VAL 485 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 3i5k h VAL 485 Cb 0.16 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3i5k h VAL 485 CO -0.01 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.21 3i5k h ALA 486 N 0.09 1.39 -0.52 1.67 0.00 -0.97 -1.94 119.26 118.98 3i5k h ALA 486 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3i5k h ALA 486 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i5k h ALA 486 CO 0.02 0.52 -0.15 1.03 0.00 0.00 0.00 179.25 180.67 3i5k h SER 487 N 1.20 1.03 -0.58 0.00 0.87 -1.13 -1.74 113.55 113.22 3i5k h SER 487 Ca 0.38 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3i5k h SER 487 Cb 0.01 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 3i5k h SER 487 CO -0.12 1.16 0.31 0.00 -0.53 0.00 0.00 176.83 177.65 3i5k h ALA 488 N 0.90 0.74 -0.75 6.23 0.00 -0.98 -0.78 119.26 124.62 3i5k h ALA 488 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3i5k h ALA 488 Cb 0.72 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3i5k h ALA 488 CO 0.06 0.27 0.48 -0.07 0.00 0.00 0.00 179.25 179.98 3i5k h LEU 489 N 0.78 0.80 -0.66 0.00 3.38 -1.19 -1.85 115.31 116.56 3i5k h LEU 489 Ca 0.20 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3i5k h LEU 489 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3i5k h LEU 489 CO -0.03 0.56 0.01 0.03 0.09 0.00 0.00 178.44 179.10 3i5k h ARG 490 N 0.95 1.05 -0.66 1.13 3.08 -1.08 -0.14 114.38 118.71 3i5k h ARG 490 Ca 0.29 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i5k h ARG 490 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3i5k h ARG 490 CO -0.10 1.02 0.42 -0.22 -1.07 0.00 0.00 179.97 180.03 3i5k h LYS 491 N 0.97 0.88 -0.00 0.04 3.64 -0.79 -2.87 116.57 118.43 3i5k h LYS 491 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3i5k h LYS 491 Cb 0.54 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3i5k h LYS 491 CO 0.03 0.60 -0.21 1.28 -2.27 0.00 0.00 179.45 178.87 3i5k n LEU 492 N -4.61 0.63 -2.63 5.20 4.77 -0.73 -4.92 117.00 114.71 3i5k n LEU 492 Ca 0.05 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3i5k n LEU 492 Cb 0.03 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3i5k n LEU 492 CO 0.36 0.12 0.15 0.61 -1.33 0.00 0.00 177.39 177.30 3i5k n GLY 493 N 1.35 -0.08 3.91 -0.72 0.00 -0.79 -1.52 105.19 107.33 3i5k n GLY 493 Ca 0.12 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3i5k n GLY 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k s ALA 494 N -3.22 3.64 0.65 4.61 0.00 -0.13 -0.60 121.76 126.70 3i5k s ALA 494 Ca 0.32 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 3i5k s ALA 494 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 3i5k s ALA 494 CO 0.50 0.21 1.26 -2.14 0.00 0.00 0.00 175.76 175.58 3i5k s PRO 495 N -3.66 2.57 0.88 0.00 0.02 -1.26 -4.65 135.00 128.90 3i5k s PRO 495 Ca 0.43 1.95 -0.12 0.00 0.02 0.00 0.00 61.00 63.28 3i5k s PRO 495 Cb -0.11 -1.86 0.12 0.00 0.02 0.00 0.00 34.50 32.67 3i5k s PRO 495 CO 0.31 -1.55 1.10 -1.25 -0.33 0.00 0.00 177.00 175.28 3i5k s PRO 496 N -3.47 1.37 0.55 5.54 0.04 -1.26 -4.81 135.00 132.97 3i5k s PRO 496 Ca 0.80 0.63 0.23 0.00 0.04 0.00 0.00 61.00 62.70 3i5k s PRO 496 Cb -0.34 -1.84 1.45 0.00 0.04 0.00 0.00 34.50 33.82 3i5k s PRO 496 CO 0.39 -2.11 2.10 -0.07 0.04 0.00 0.00 177.00 177.35 3i5k h LEU 497 N -1.45 0.00 -1.09 -3.56 3.38 -1.99 -0.55 115.31 110.06 3i5k h LEU 497 Ca -0.50 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 3i5k h LEU 497 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3i5k h LEU 497 CO 0.58 0.00 -0.43 0.08 0.09 0.00 0.00 178.44 178.76 3i5k h ARG 498 N 0.00 0.04 -0.16 1.13 0.11 -2.00 -0.22 114.38 113.28 3i5k h ARG 498 Ca 0.09 -0.02 -0.22 0.00 0.10 0.00 0.00 59.98 59.94 3i5k h ARG 498 Cb 0.41 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.50 3i5k h ARG 498 CO -0.00 0.47 -0.75 0.28 0.10 0.00 0.00 179.97 180.07 3i5k h VAL 499 N 0.04 1.28 -0.88 0.08 2.07 -1.46 -2.87 116.25 114.50 3i5k h VAL 499 Ca -0.00 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 65.61 3i5k h VAL 499 Cb 0.78 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 3i5k h VAL 499 CO 0.06 0.62 0.58 -0.50 0.02 0.00 0.00 177.57 178.35 3i5k h TRP 500 N 0.54 1.07 -0.45 1.57 4.06 -0.95 -1.27 115.95 120.51 3i5k h TRP 500 Ca -0.05 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 3i5k h TRP 500 Cb 1.38 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 3i5k h TRP 500 CO 0.09 0.62 -0.01 -0.22 -3.56 0.00 0.00 178.44 175.35 3i5k h LYS 501 N 1.11 0.80 -0.44 0.49 3.64 -1.03 -0.14 116.57 120.99 3i5k h LYS 501 Ca 0.35 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3i5k h LYS 501 Cb 0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3i5k h LYS 501 CO -0.10 0.87 0.27 0.77 -2.27 0.00 0.00 179.45 178.98 3i5k h SER 502 N 0.64 0.53 -0.81 4.20 0.02 -1.28 -2.32 113.55 114.53 3i5k h SER 502 Ca 0.12 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3i5k h SER 502 Cb 0.52 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3i5k h SER 502 CO 0.03 0.43 0.49 -0.09 -1.14 0.00 0.00 176.83 176.55 3i5k h ARG 503 N 0.59 1.10 -0.18 3.45 2.43 -1.08 -2.86 114.38 117.82 3i5k h ARG 503 Ca 0.16 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3i5k h ARG 503 Cb -0.00 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3i5k h ARG 503 CO -0.03 0.77 -0.20 0.00 -1.51 0.00 0.00 179.97 179.00 3i5k h ALA 504 N 1.27 1.32 -0.75 2.80 0.00 -0.84 -0.91 119.26 122.14 3i5k h ALA 504 Ca 0.29 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i5k h ALA 504 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3i5k h ALA 504 CO -0.06 0.46 0.33 0.00 0.00 0.00 0.00 179.25 179.98 3i5k h ARG 505 N 0.29 1.11 -0.18 0.00 3.08 -1.19 0.96 114.38 118.45 3i5k h ARG 505 Ca 0.05 -0.18 -0.18 0.00 0.07 0.00 0.00 59.98 59.74 3i5k h ARG 505 Cb 0.53 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3i5k h ARG 505 CO 0.04 0.89 -0.58 0.00 -1.07 0.00 0.00 179.97 179.24 3i5k h ALA 506 N 1.17 0.31 -0.46 0.04 0.00 -1.41 -2.11 119.26 116.80 3i5k h ALA 506 Ca 0.25 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3i5k h ALA 506 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i5k h ALA 506 CO -0.03 0.54 0.30 0.28 0.00 0.00 0.00 179.25 180.35 3i5k h VAL 507 N 0.41 1.11 -0.08 0.00 2.07 -0.95 -1.50 116.25 117.31 3i5k h VAL 507 Ca -0.02 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3i5k h VAL 507 Cb 1.20 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3i5k h VAL 507 CO 0.12 0.11 -0.09 -0.09 0.02 0.00 0.00 177.57 177.64 3i5k h ARG 508 N 0.61 -0.12 -0.67 1.57 2.43 -0.81 -1.14 114.38 116.26 3i5k h ARG 508 Ca 0.17 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3i5k h ARG 508 Cb -0.06 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 3i5k h ARG 508 CO -0.04 -0.08 0.39 0.00 -1.51 0.00 0.00 179.97 178.73 3i5k h ALA 509 N 0.93 0.88 -0.58 2.80 0.00 -1.13 -0.39 119.26 121.78 3i5k h ALA 509 Ca 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3i5k h ALA 509 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i5k h ALA 509 CO -0.15 0.11 0.13 0.77 0.00 0.00 0.00 179.25 180.10 3i5k h SER 510 N 0.74 0.90 -0.28 0.00 0.02 -1.00 -1.64 113.55 112.29 3i5k h SER 510 Ca 0.29 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3i5k h SER 510 Cb 0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3i5k h SER 510 CO -0.15 0.90 0.17 -0.07 -1.14 0.00 0.00 176.83 176.55 3i5k h LEU 511 N 0.85 0.34 -0.94 5.07 3.38 -0.91 -2.97 115.31 120.13 3i5k h LEU 511 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i5k h LEU 511 Cb 0.37 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3i5k h LEU 511 CO 0.00 0.29 0.60 0.40 0.09 0.00 0.00 178.44 179.83 3i5k h ILE 512 N 0.36 1.25 0.00 1.22 2.04 -0.90 -2.40 117.51 119.08 3i5k h ILE 512 Ca 0.10 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3i5k h ILE 512 Cb 0.01 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 35.98 3i5k h ILE 512 CO -0.02 0.25 -0.01 0.77 0.00 0.00 0.00 178.15 179.14 3i5k h SER 513 N 1.28 0.00 1.23 1.72 4.64 -1.15 -1.86 113.55 119.41 3i5k h SER 513 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3i5k h SER 513 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3i5k h SER 513 CO -0.07 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.44 3i5k n ARG 514 N -3.16 0.23 -0.20 4.77 1.74 -0.91 -5.05 116.66 114.07 3i5k n ARG 514 Ca -0.02 0.28 0.03 0.00 -0.77 0.00 0.00 57.85 57.37 3i5k n ARG 514 Cb 0.16 -1.82 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 3i5k n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i5k n GLY 515 N 0.89 -1.33 7.00 -0.13 0.00 -0.70 -4.85 105.19 106.07 3i5k n GLY 515 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3i5k n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 516 N -0.63 1.97 0.22 -0.02 0.00 -1.26 -1.87 105.19 103.61 3i5k n GLY 516 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 3i5k n GLY 516 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5k h LYS 517 N 0.00 0.32 -0.93 1.61 1.57 -1.92 -2.46 116.57 114.76 3i5k h LYS 517 Ca 0.00 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3i5k h LYS 517 Cb 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 3i5k h LYS 517 CO 0.00 0.61 0.59 0.00 -0.57 0.00 0.00 179.45 180.09 3i5k h ALA 518 N 1.39 1.25 -0.05 3.86 0.00 -1.84 -0.53 119.26 123.35 3i5k h ALA 518 Ca 0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3i5k h ALA 518 Cb 0.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i5k h ALA 518 CO 0.05 0.41 -0.58 0.00 0.00 0.00 0.00 179.25 179.14 3i5k h ALA 519 N 1.41 0.94 -0.74 0.00 0.00 -0.90 -1.09 119.26 118.88 3i5k h ALA 519 Ca 0.39 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3i5k h ALA 519 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3i5k h ALA 519 CO -0.15 0.71 0.23 0.28 0.00 0.00 0.00 179.25 180.33 3i5k h VAL 520 N 0.11 1.26 -0.48 0.00 2.07 -1.19 -0.61 116.25 117.42 3i5k h VAL 520 Ca -0.00 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3i5k h VAL 520 Cb 1.05 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3i5k h VAL 520 CO 0.08 0.36 0.27 0.00 0.02 0.00 0.00 177.57 178.30 3i5k h GLY 522 N 0.64 0.45 0.82 0.00 0.00 -1.02 -1.64 103.07 102.32 3i5k h GLY 522 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3i5k h GLY 522 CO -0.03 0.17 -0.02 3.21 0.00 0.00 0.00 176.54 179.87 3i5k h ARG 523 N 0.42 0.39 0.03 4.80 3.08 -0.92 -2.99 114.38 119.19 3i5k h ARG 523 Ca 0.11 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3i5k h ARG 523 Cb -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3i5k h ARG 523 CO -0.02 0.60 -0.29 1.88 -1.07 0.00 0.00 179.97 181.07 3i5k h TYR 524 N 0.14 0.11 0.00 3.04 -1.99 -1.29 -3.05 116.97 113.93 3i5k h TYR 524 Ca 0.06 -0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.59 3i5k h TYR 524 Cb 0.44 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 3i5k h TYR 524 CO 0.04 1.11 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.70 3i5k h LEU 525 N -0.86 0.00 -3.05 3.88 3.38 -1.45 -3.31 115.31 113.90 3i5k h LEU 525 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i5k h LEU 525 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3i5k h LEU 525 CO 0.01 0.55 0.00 0.49 0.09 0.00 0.00 178.44 179.58 3i5k n PHE 526 N -3.41 0.39 0.21 1.13 3.72 -1.13 -4.62 117.46 113.76 3i5k n PHE 526 Ca 0.01 -0.74 0.14 0.00 -0.05 0.00 0.00 57.45 56.81 3i5k n PHE 526 Cb 0.68 -0.15 0.76 0.00 -0.94 0.00 0.00 39.48 39.83 3i5k n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3i5k h ASN 527 N 1.03 0.00 0.25 4.37 -1.24 -1.62 -1.32 115.58 117.05 3i5k h ASN 527 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 3i5k h ASN 527 Cb 0.96 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 3i5k h ASN 527 CO 0.07 0.00 -0.13 4.11 -1.29 0.00 0.00 177.43 180.19 3i5k h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -3.20 115.95 116.68 3i5k h TRP 528 Ca 0.06 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.93 3i5k h TRP 528 Cb 0.29 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 3i5k h TRP 528 CO 0.00 0.13 -0.50 0.00 -1.28 0.00 0.00 178.44 176.79 3i5k h ALA 529 N 1.87 0.69 -2.46 0.11 0.00 -1.60 -3.46 119.26 114.41 3i5k h ALA 529 Ca -0.00 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.93 3i5k h ALA 529 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i5k h ALA 529 CO 0.02 0.62 -0.31 0.14 0.00 0.00 0.00 179.25 179.72 3i5k s VAL 530 N -2.99 5.18 -0.05 0.00 -7.23 -1.21 -4.83 120.40 109.26 3i5k s VAL 530 Ca 0.04 -0.38 -0.25 0.00 -1.81 0.00 0.00 61.98 59.58 3i5k s VAL 530 Cb 0.08 -3.75 -0.24 0.00 0.56 0.00 0.00 36.38 33.03 3i5k s VAL 530 CO 0.74 -0.23 1.02 0.50 -0.31 0.00 0.00 175.10 176.82 3i5k h LYS 531 N 1.80 0.16 -4.99 4.82 3.64 -1.90 -3.39 116.57 116.71 3i5k h LYS 531 Ca -0.48 -0.18 -0.68 0.00 -1.27 0.00 0.00 60.65 58.04 3i5k h LYS 531 Cb 1.20 0.05 -0.18 0.00 -0.41 0.00 0.00 32.23 32.89 3i5k h LYS 531 CO 0.67 0.92 0.50 0.99 -2.27 0.00 0.00 179.45 180.25 3i5k s THR 532 N -3.09 4.68 0.45 1.00 2.01 -1.26 -5.03 115.64 114.40 3i5k s THR 532 Ca -0.16 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 60.52 3i5k s THR 532 Cb 0.01 -4.65 -0.08 0.00 0.01 0.00 0.00 72.50 67.79 3i5k s THR 532 CO 0.74 -1.36 1.21 -0.54 -0.69 0.00 0.00 174.62 173.98 3i5k s LYS 533 N 2.97 3.79 0.39 4.92 -0.14 -1.26 -5.03 119.74 125.37 3i5k s LYS 533 Ca 0.22 1.90 -0.08 0.00 -1.36 0.00 0.00 55.97 56.66 3i5k s LYS 533 Cb -0.14 -2.51 -0.05 0.00 -1.68 0.00 0.00 37.83 33.44 3i5k s LYS 533 CO 0.01 -0.56 0.71 -0.51 -0.76 0.00 0.00 175.35 174.24 3i5k s LEU 534 N -2.86 3.85 -0.29 3.17 1.43 -1.26 -5.05 118.68 117.67 3i5k s LEU 534 Ca 0.62 0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 54.45 3i5k s LEU 534 Cb -0.32 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.06 3i5k s LEU 534 CO 0.39 -0.38 0.76 -0.75 0.23 0.00 0.00 176.35 176.60 3i5k s LYS 535 N -3.99 4.02 -0.28 1.70 2.20 -1.26 -5.02 119.74 117.11 3i5k s LYS 535 Ca 0.48 0.62 -0.17 0.00 -0.36 0.00 0.00 55.97 56.54 3i5k s LYS 535 Cb -0.10 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 3i5k s LYS 535 CO 0.34 -0.60 0.49 -0.51 -0.36 0.00 0.00 175.35 174.71 3i5k s LEU 536 N 2.84 4.09 0.27 5.43 1.43 -1.26 -5.07 118.68 126.42 3i5k s LEU 536 Ca 0.31 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3i5k s LEU 536 Cb -0.15 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3i5k s LEU 536 CO 0.11 -0.30 0.45 0.42 0.23 0.00 0.00 176.35 177.26 3i5k s THR 537 N 2.29 5.17 0.25 5.49 -4.23 -1.26 -5.06 115.64 118.29 3i5k s THR 537 Ca 0.20 -0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 59.84 3i5k s THR 537 Cb -0.16 -3.82 -0.13 0.00 1.34 0.00 0.00 72.50 69.73 3i5k s THR 537 CO 0.10 -0.38 1.40 -2.65 -0.54 0.00 0.00 174.62 172.55 3i5k n PRO 538 N -1.33 2.07 -2.82 3.99 -0.02 -1.26 -4.95 135.00 130.68 3i5k n PRO 538 Ca -0.06 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 3i5k n PRO 538 Cb 0.56 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3i5k n PRO 538 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i5k s LEU 539 N -0.04 4.32 0.32 2.45 1.43 -1.26 -4.95 118.68 120.95 3i5k s LEU 539 Ca 0.67 1.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 3i5k s LEU 539 Cb -0.63 -3.40 0.68 0.00 0.03 0.00 0.00 46.19 42.87 3i5k s LEU 539 CO 0.51 -0.25 1.86 -0.65 0.23 0.00 0.00 176.35 178.05 3i5k h PRO 540 N 6.88 0.83 0.00 1.29 0.11 -2.02 -1.92 132.00 137.16 3i5k h PRO 540 Ca -0.39 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3i5k h PRO 540 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i5k h PRO 540 CO 0.77 0.55 -0.16 1.49 -0.21 0.00 0.00 178.00 180.44 3i5k h GLU 541 N 0.85 0.00 -0.98 1.05 4.57 -1.98 -3.07 114.58 115.02 3i5k h GLU 541 Ca 0.46 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.65 3i5k h GLU 541 Cb 0.55 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 3i5k h GLU 541 CO -0.22 0.16 0.65 0.00 -1.18 0.00 0.00 179.01 178.42 3i5k h ALA 542 N 1.84 1.30 0.00 2.92 0.00 -1.58 -1.87 119.26 121.87 3i5k h ALA 542 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i5k h ALA 542 Cb 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i5k h ALA 542 CO 0.02 0.65 -0.20 0.07 0.00 0.00 0.00 179.25 179.78 3i5k h ARG 543 N 1.33 0.00 0.00 0.00 0.11 -1.66 -3.07 114.38 111.08 3i5k h ARG 543 Ca 0.36 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.40 3i5k h ARG 543 Cb -0.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.92 3i5k h ARG 543 CO -0.08 0.20 -0.21 -0.07 0.10 0.00 0.00 179.97 179.91 3i5k h LEU 544 N 0.00 0.00 -9.54 0.08 4.07 -1.40 -3.44 115.31 105.08 3i5k h LEU 544 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3i5k h LEU 544 Cb 0.75 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.49 3i5k h LEU 544 CO 0.03 0.21 0.47 -0.76 -1.08 0.00 0.00 178.44 177.31 3i5k s LEU 545 N -6.49 4.43 -0.42 1.67 1.43 -1.03 -4.53 118.68 113.73 3i5k s LEU 545 Ca 0.03 1.96 -0.05 0.00 -1.03 0.00 0.00 54.13 55.04 3i5k s LEU 545 Cb 0.08 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.82 3i5k s LEU 545 CO 0.66 -0.30 0.23 -0.62 0.23 0.00 0.00 176.35 176.55 3i5k s ASP 546 N 0.50 5.39 0.00 2.29 2.15 0.27 -4.89 116.67 122.39 3i5k s ASP 546 Ca 0.53 -1.87 0.10 0.00 0.43 0.00 0.00 52.55 51.74 3i5k s ASP 546 Cb -0.27 -1.89 0.22 0.00 -0.30 0.00 0.00 42.92 40.68 3i5k s ASP 546 CO 0.31 -0.56 1.11 0.18 -0.17 0.00 0.00 175.17 176.04 3i5k n LEU 547 N 4.72 2.54 0.29 -1.34 4.32 -1.26 -4.41 117.00 121.85 3i5k n LEU 547 Ca -0.06 -1.68 0.14 0.00 -0.02 0.00 0.00 56.01 54.39 3i5k n LEU 547 Cb 0.42 -0.15 0.87 0.00 -1.62 0.00 0.00 43.42 42.94 3i5k n LEU 547 CO 0.36 0.60 1.09 0.77 -1.22 0.00 0.00 177.39 178.99 3i5k h SER 548 N 1.91 0.00 -0.02 -1.43 4.64 -1.96 0.65 113.55 117.34 3i5k h SER 548 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3i5k h SER 548 Cb 0.62 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.62 3i5k h SER 548 CO 0.00 0.02 -0.62 -1.54 -0.87 0.00 0.00 176.83 173.83 3i5k n SER 549 N -3.85 1.67 0.27 4.97 3.41 -1.26 -4.82 113.62 114.01 3i5k n SER 549 Ca -0.03 -3.53 0.09 0.00 -0.26 0.00 0.00 58.87 55.15 3i5k n SER 549 Cb 0.11 -0.48 0.69 0.00 -0.26 0.00 0.00 64.21 64.27 3i5k n SER 549 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3i5k h TRP 550 N 1.05 0.00 0.03 7.33 7.01 -1.19 -0.95 115.95 129.23 3i5k h TRP 550 Ca -0.03 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.77 3i5k h TRP 550 Cb 1.19 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.23 3i5k h TRP 550 CO 0.65 0.01 -1.05 0.74 -2.79 0.00 0.00 178.44 176.00 3i5k h PHE 551 N 0.00 0.13 -0.28 2.65 -1.00 -1.83 -3.34 116.94 113.27 3i5k h PHE 551 Ca -0.00 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 3i5k h PHE 551 Cb 0.02 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 3i5k h PHE 551 CO 0.00 1.41 0.11 0.00 -1.61 0.00 0.00 178.31 178.22 3i5k h THR 552 N -0.79 1.12 0.00 -1.55 1.03 -1.27 -1.75 112.91 109.70 3i5k h THR 552 Ca -0.27 -0.37 -0.01 0.00 -0.01 0.00 0.00 66.41 65.76 3i5k h THR 552 Cb 1.38 0.79 -0.00 0.00 -1.07 0.00 0.00 68.15 69.25 3i5k h THR 552 CO -0.09 0.14 -0.03 -0.37 -0.01 0.00 0.00 175.52 175.16 3i5k h VAL 553 N 0.39 0.57 -0.07 0.00 -1.51 -1.34 -1.63 116.25 112.66 3i5k h VAL 553 Ca 0.10 -0.14 -0.09 0.00 -1.23 0.00 0.00 66.70 65.34 3i5k h VAL 553 Cb 0.09 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 3i5k h VAL 553 CO -0.01 0.03 -0.37 1.23 -1.23 0.00 0.00 177.57 177.22 3i5k h GLY 554 N 0.20 0.17 -0.83 5.19 0.00 -1.43 -3.47 103.07 102.90 3i5k h GLY 554 Ca -0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 47.33 46.83 3i5k h GLY 554 CO 0.00 0.13 -0.32 0.00 0.00 0.00 0.00 176.54 176.35 3i5k n ALA 555 N -2.47 -0.27 -1.41 3.60 0.00 -0.61 -0.75 120.51 118.60 3i5k n ALA 555 Ca -0.01 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 3i5k n ALA 555 Cb 0.44 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 3i5k n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5k n GLY 556 N -0.28 1.37 1.11 0.00 0.00 -1.26 -4.35 105.19 101.78 3i5k n GLY 556 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3i5k n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 557 N 0.02 1.86 4.11 -0.02 0.00 0.07 -4.60 105.19 106.63 3i5k n GLY 557 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i5k n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 558 N 1.40 1.82 1.92 -0.02 0.00 0.10 -4.52 105.19 105.90 3i5k n GLY 558 Ca 0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3i5k n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i5k n ASP 559 N 4.98 5.90 -4.20 1.61 2.03 -1.26 -4.36 116.55 121.25 3i5k n ASP 559 Ca 0.00 -2.79 -0.28 0.00 0.52 0.00 0.00 54.79 52.25 3i5k n ASP 559 Cb 0.00 -1.19 -0.16 0.00 -0.72 0.00 0.00 41.12 39.05 3i5k n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i5k s ILE 560 N -0.94 1.65 -0.02 5.18 -1.09 -1.26 -4.44 121.20 120.27 3i5k s ILE 560 Ca 0.36 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.95 3i5k s ILE 560 Cb 0.22 -1.39 -0.00 0.00 -1.58 0.00 0.00 42.46 39.71 3i5k s ILE 560 CO -0.05 0.47 -0.13 0.12 -1.23 0.00 0.00 174.94 174.12 3i5k s PHE 561 N -0.23 1.24 -0.06 3.97 5.36 0.89 -1.00 117.98 128.15 3i5k s PHE 561 Ca 0.01 -0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 55.66 3i5k s PHE 561 Cb -0.10 -0.83 0.03 0.00 -0.34 0.00 0.00 43.02 41.78 3i5k s PHE 561 CO 0.01 -0.08 0.15 -1.01 -1.46 0.00 0.00 175.22 172.83 3i5k s HIS 562 N -0.09 -0.17 0.73 10.12 3.76 -0.12 -4.65 115.29 124.87 3i5k s HIS 562 Ca 0.01 0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 55.32 3i5k s HIS 562 Cb -0.08 -0.04 0.16 0.00 1.11 0.00 0.00 32.58 33.73 3i5k s HIS 562 CO 0.00 -0.15 0.99 0.43 -0.85 0.00 0.00 174.74 175.17 3i5k n SER 563 N 3.90 0.71 -4.72 1.40 7.64 -1.26 -1.09 113.62 120.20 3i5k n SER 563 Ca -0.23 -1.75 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 3i5k n SER 563 Cb 0.54 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 3i5k n SER 563 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i5k s VAL 564 N -3.03 4.16 -0.75 0.44 1.01 -1.19 -4.81 120.40 116.22 3i5k s VAL 564 Ca 0.61 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 64.05 3i5k s VAL 564 Cb -0.03 -4.05 0.13 0.00 0.00 0.00 0.00 36.38 32.43 3i5k s VAL 564 CO 0.42 0.18 0.90 -0.44 0.00 0.00 0.00 175.10 176.15 3i5k s SER 565 N 0.64 6.42 0.00 3.32 0.01 -1.26 -5.06 113.70 117.78 3i5k s SER 565 Ca 0.54 -1.77 0.24 0.00 1.31 0.00 0.00 55.95 56.28 3i5k s SER 565 Cb -0.28 -2.34 0.28 0.00 0.21 0.00 0.00 66.02 63.90 3i5k s SER 565 CO 0.31 -1.06 1.31 0.52 0.41 0.00 0.00 173.24 174.72