#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6m s SER 40 N 0.00 4.86 1.14 6.41 1.04 -1.26 -5.11 113.70 120.78 1k6m s SER 40 Ca 0.00 -0.13 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 1k6m s SER 40 Cb 0.00 -1.17 0.17 0.00 0.10 0.00 0.00 66.02 65.11 1k6m s SER 40 CO 0.00 0.25 0.23 -0.81 0.98 0.00 0.00 173.24 173.89 1k6m n PRO 41 N 1.21 -2.20 -4.06 4.02 -0.04 -1.26 -4.66 135.00 128.01 1k6m n PRO 41 Ca -0.14 -0.63 -0.13 0.00 -0.04 0.00 0.00 63.50 62.56 1k6m n PRO 41 Cb 0.52 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 1k6m n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k6m s THR 42 N -2.19 0.40 -0.15 0.52 2.01 -0.35 -1.76 115.64 114.12 1k6m s THR 42 Ca 0.53 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 1k6m s THR 42 Cb -0.11 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1k6m s THR 42 CO 0.57 -0.24 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.08 1k6m s MET 43 N -1.06 3.31 -0.24 4.92 -1.94 -0.11 -0.65 119.30 123.53 1k6m s MET 43 Ca -0.07 -0.71 -0.07 0.00 -1.71 0.00 0.00 55.69 53.13 1k6m s MET 43 Cb -0.07 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 1k6m s MET 43 CO -0.00 0.11 0.07 0.08 -0.01 0.00 0.00 175.02 175.27 1k6m s VAL 44 N 0.62 4.39 -0.29 -6.03 1.01 -0.22 -1.53 120.40 118.35 1k6m s VAL 44 Ca -0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1k6m s VAL 44 Cb -0.16 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1k6m s VAL 44 CO 0.03 0.35 0.11 -0.63 0.00 0.00 0.00 175.10 174.96 1k6m s ILE 45 N 1.47 4.36 0.23 2.22 -1.09 0.18 0.20 121.20 128.77 1k6m s ILE 45 Ca 0.06 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 57.73 1k6m s ILE 45 Cb -0.15 -3.19 -0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1k6m s ILE 45 CO 0.04 0.13 1.11 -0.04 -1.23 0.00 0.00 174.94 174.94 1k6m s MET 46 N 1.58 4.61 -0.03 2.79 -1.94 -0.58 -0.24 119.30 125.50 1k6m s MET 46 Ca 0.04 1.78 0.00 0.00 -1.71 0.00 0.00 55.69 55.80 1k6m s MET 46 Cb -0.17 -3.23 0.03 0.00 2.01 0.00 0.00 34.83 33.48 1k6m s MET 46 CO 0.05 0.14 0.02 0.08 -0.01 0.00 0.00 175.02 175.29 1k6m s VAL 47 N -0.73 0.06 0.00 -6.03 1.01 0.63 -4.34 120.40 111.01 1k6m s VAL 47 Ca 0.47 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1k6m s VAL 47 Cb -0.31 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1k6m s VAL 47 CO 0.38 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1k6m n GLY 48 N 4.18 3.47 3.69 4.51 0.00 0.23 -1.70 105.19 119.57 1k6m n GLY 48 Ca -0.27 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1k6m n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k6m s LEU 49 N 0.00 2.63 0.40 0.99 1.43 -1.26 -4.39 118.68 118.47 1k6m s LEU 49 Ca 0.00 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 1k6m s LEU 49 Cb 0.00 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 1k6m s LEU 49 CO 0.00 -2.81 1.33 -2.84 0.23 0.00 0.00 176.35 172.26 1k6m s PRO 50 N -4.75 4.00 -0.45 1.29 0.02 -1.26 -3.38 135.00 130.46 1k6m s PRO 50 Ca 0.65 2.22 -0.03 0.00 0.02 0.00 0.00 61.00 63.86 1k6m s PRO 50 Cb -0.21 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1k6m s PRO 50 CO 0.58 -0.49 0.40 0.00 -0.33 0.00 0.00 177.00 177.16 1k6m n ALA 51 N 0.21 -0.44 0.31 -1.55 0.00 -1.26 -4.94 120.51 112.84 1k6m n ALA 51 Ca 0.03 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1k6m n ALA 51 Cb 0.43 -2.17 0.04 0.00 0.00 0.00 0.00 19.45 17.75 1k6m n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k6m n ARG 52 N -2.01 0.41 -1.43 0.00 3.00 -1.22 -4.78 116.66 110.63 1k6m n ARG 52 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.85 56.76 1k6m n ARG 52 Cb 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.81 1k6m n ARG 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k6m n GLY 53 N 0.46 0.75 0.10 -0.13 0.00 -1.26 -4.88 105.19 100.23 1k6m n GLY 53 Ca 0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1k6m n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k6m h LYS 54 N 0.00 0.20 -0.09 1.61 1.57 -1.94 -1.40 116.57 116.53 1k6m h LYS 54 Ca 0.00 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1k6m h LYS 54 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1k6m h LYS 54 CO 0.00 0.55 -0.31 1.15 -0.57 0.00 0.00 179.45 180.27 1k6m h THR 55 N -0.15 1.26 -0.17 -0.16 2.02 -1.97 0.15 112.91 113.89 1k6m h THR 55 Ca 0.02 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 1k6m h THR 55 Cb 0.48 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1k6m h THR 55 CO 0.01 0.36 0.04 0.22 0.37 0.00 0.00 175.52 176.52 1k6m h TYR 56 N 0.14 0.28 -0.61 3.16 3.20 -1.94 -1.01 116.97 120.20 1k6m h TYR 56 Ca 0.02 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1k6m h TYR 56 Cb 0.63 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1k6m h TYR 56 CO 0.01 0.41 0.05 0.82 -1.64 0.00 0.00 178.16 177.80 1k6m h ILE 57 N 0.08 1.26 -0.10 1.81 2.04 -0.98 -1.89 117.51 119.73 1k6m h ILE 57 Ca 0.05 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.87 1k6m h ILE 57 Cb 0.27 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1k6m h ILE 57 CO 0.00 0.39 -0.12 0.28 0.00 0.00 0.00 178.15 178.70 1k6m h SER 58 N 0.96 -0.38 0.69 1.72 0.02 -0.48 -1.37 113.55 114.71 1k6m h SER 58 Ca 0.18 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1k6m h SER 58 Cb 0.49 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1k6m h SER 58 CO 0.02 -0.17 -0.42 0.74 -1.14 0.00 0.00 176.83 175.86 1k6m h THR 59 N -0.16 0.15 -0.64 -2.27 2.02 -1.04 -0.97 112.91 110.00 1k6m h THR 59 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1k6m h THR 59 Cb 0.27 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1k6m h THR 59 CO -0.20 0.00 0.39 0.11 0.37 0.00 0.00 175.52 176.19 1k6m h LYS 60 N -1.04 0.74 -0.42 6.66 1.57 -1.29 -1.49 116.57 121.30 1k6m h LYS 60 Ca -0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1k6m h LYS 60 Cb 0.84 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1k6m h LYS 60 CO 0.09 0.49 0.02 1.25 -0.57 0.00 0.00 179.45 180.73 1k6m h LEU 61 N 0.76 0.71 -0.10 2.94 6.46 -1.22 -0.69 115.31 124.16 1k6m h LEU 61 Ca 0.26 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1k6m h LEU 61 Cb 0.05 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 1k6m h LEU 61 CO -0.12 0.83 -0.06 0.74 -0.62 0.00 0.00 178.44 179.21 1k6m h THR 62 N 0.56 0.81 0.04 1.05 2.02 -0.81 -0.00 112.91 116.59 1k6m h THR 62 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1k6m h THR 62 Cb 0.45 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1k6m h THR 62 CO 0.02 0.00 -0.02 0.03 0.37 0.00 0.00 175.52 175.92 1k6m h ARG 63 N -0.06 -0.05 -0.39 6.66 3.08 -1.13 -0.88 114.38 121.61 1k6m h ARG 63 Ca 0.06 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1k6m h ARG 63 Cb 0.15 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 1k6m h ARG 63 CO -0.14 0.01 -0.52 -0.92 -1.07 0.00 0.00 179.97 177.32 1k6m h TYR 64 N -0.10 -1.58 -0.54 3.04 3.20 -0.72 0.42 116.97 120.68 1k6m h TYR 64 Ca -0.01 0.08 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1k6m h TYR 64 Cb 0.08 0.74 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 1k6m h TYR 64 CO -0.06 -0.48 0.17 -0.07 -1.64 0.00 0.00 178.16 176.08 1k6m h LEU 65 N -0.40 0.14 -0.38 2.82 3.38 -0.86 0.28 115.31 120.30 1k6m h LEU 65 Ca 0.09 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1k6m h LEU 65 Cb 0.60 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1k6m h LEU 65 CO -0.58 0.10 0.24 0.78 0.09 0.00 0.00 178.44 179.08 1k6m h ASN 66 N 0.34 0.42 -1.00 -0.43 2.35 -0.34 0.16 115.58 117.08 1k6m h ASN 66 Ca 0.27 -0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.11 1k6m h ASN 66 Cb 0.32 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 1k6m h ASN 66 CO -0.29 0.30 0.64 0.15 -1.65 0.00 0.00 177.43 176.58 1k6m h PHE 67 N 0.50 1.16 -0.23 1.19 3.57 0.16 -0.56 116.94 122.72 1k6m h PHE 67 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1k6m h PHE 67 Cb -0.04 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.33 1k6m h PHE 67 CO -0.06 0.53 0.00 0.44 -2.23 0.00 0.00 178.31 176.99 1k6m n ILE 68 N -4.56 0.94 -0.45 1.41 -5.35 -0.09 -4.86 119.36 106.39 1k6m n ILE 68 Ca 0.17 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1k6m n ILE 68 Cb 0.28 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1k6m n ILE 68 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k6m n GLY 69 N 0.37 0.74 3.11 3.28 0.00 -0.22 -5.05 105.19 107.42 1k6m n GLY 69 Ca 0.11 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1k6m n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k6m s THR 70 N -2.00 3.00 -0.50 2.61 2.01 0.50 -5.00 115.64 116.26 1k6m s THR 70 Ca 0.00 -1.97 -0.29 0.00 0.31 0.00 0.00 61.69 59.74 1k6m s THR 70 Cb 0.00 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.40 1k6m s THR 70 CO 0.00 -0.54 2.38 -2.65 -0.69 0.00 0.00 174.62 173.12 1k6m n PRO 71 N 4.53 1.01 -4.64 4.92 -0.02 -1.26 -2.70 135.00 136.84 1k6m n PRO 71 Ca -0.03 0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 1k6m n PRO 71 Cb 0.42 -2.85 -0.14 0.00 -0.02 0.00 0.00 33.50 30.91 1k6m n PRO 71 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1k6m s THR 72 N 9.90 1.88 0.02 3.45 2.01 -1.26 -0.61 115.64 131.02 1k6m s THR 72 Ca 1.08 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1k6m s THR 72 Cb -0.55 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1k6m s THR 72 CO 0.37 0.20 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.72 1k6m s LYS 73 N -1.41 0.29 -0.09 4.92 2.20 -0.78 -4.90 119.74 119.97 1k6m s LYS 73 Ca 0.09 -0.47 -0.06 0.00 -0.36 0.00 0.00 55.97 55.18 1k6m s LYS 73 Cb -0.09 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1k6m s LYS 73 CO 0.03 -0.01 0.15 0.08 -0.36 0.00 0.00 175.35 175.24 1k6m s VAL 74 N -1.02 5.45 -0.33 4.02 1.01 -1.26 -1.27 120.40 127.01 1k6m s VAL 74 Ca -0.10 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1k6m s VAL 74 Cb -0.07 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1k6m s VAL 74 CO -0.00 0.55 0.06 -0.36 0.00 0.00 0.00 175.10 175.34 1k6m s PHE 75 N -1.10 3.22 -0.29 5.22 0.40 -0.08 -4.94 117.98 120.41 1k6m s PHE 75 Ca 0.18 -2.66 -0.16 0.00 -0.60 0.00 0.00 56.93 53.68 1k6m s PHE 75 Cb -0.12 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.79 1k6m s PHE 75 CO 0.08 -0.93 0.44 1.21 0.70 0.00 0.00 175.22 176.71 1k6m s ASN 76 N 1.09 6.30 0.15 1.36 3.84 -1.26 -0.62 114.94 125.80 1k6m s ASN 76 Ca 0.10 0.23 -0.11 0.00 0.21 0.00 0.00 52.86 53.29 1k6m s ASN 76 Cb -0.19 -2.24 -0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1k6m s ASN 76 CO -0.12 -0.29 1.55 -0.07 -2.79 0.00 0.00 177.10 175.38 1k6m h LEU 77 N 8.76 0.95 -1.34 3.21 3.38 -1.70 -2.50 115.31 126.07 1k6m h LEU 77 Ca -0.30 -0.38 0.27 0.00 0.09 0.00 0.00 57.88 57.56 1k6m h LEU 77 Cb 1.15 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1k6m h LEU 77 CO 0.69 1.11 0.67 1.23 0.09 0.00 0.00 178.44 182.23 1k6m h GLY 78 N 0.77 1.27 0.87 0.83 0.00 -1.93 0.18 103.07 105.06 1k6m h GLY 78 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1k6m h GLY 78 CO 0.06 -0.16 -0.42 1.46 0.00 0.00 0.00 176.54 177.48 1k6m h GLN 79 N 0.39 -1.13 -0.68 4.80 4.20 -1.84 -2.70 115.11 118.16 1k6m h GLN 79 Ca 0.61 0.08 0.13 0.00 0.06 0.00 0.00 58.65 59.53 1k6m h GLN 79 Cb 1.54 0.26 -0.13 0.00 0.30 0.00 0.00 27.48 29.44 1k6m h GLN 79 CO -0.32 -0.75 -0.20 1.88 -0.67 0.00 0.00 178.83 178.77 1k6m h TYR 80 N -1.19 -0.45 -0.61 2.96 -1.99 -0.67 -0.64 116.97 114.38 1k6m h TYR 80 Ca -0.12 0.06 0.12 0.00 2.00 0.00 0.00 58.73 60.80 1k6m h TYR 80 Cb 0.90 0.30 -0.11 0.00 2.00 0.00 0.00 36.73 39.82 1k6m h TYR 80 CO 0.03 -0.31 -0.11 -0.09 -0.00 0.00 0.00 178.16 177.68 1k6m h ARG 81 N -0.03 0.03 0.00 4.88 2.43 -0.84 0.18 114.38 121.03 1k6m h ARG 81 Ca 0.32 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1k6m h ARG 81 Cb 0.51 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1k6m h ARG 81 CO -0.71 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 177.77 1k6m h ARG 82 N 0.03 0.00 -0.06 0.20 3.08 -0.79 0.45 114.38 117.30 1k6m h ARG 82 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1k6m h ARG 82 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1k6m h ARG 82 CO -0.60 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.39 1k6m n GLU 83 N -3.05 1.27 0.00 0.04 2.13 0.60 -4.18 120.64 117.44 1k6m n GLU 83 Ca -0.01 -0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.41 1k6m n GLU 83 Cb 0.21 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1k6m n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k6m n ALA 84 N -0.38 1.18 -3.53 4.31 0.00 0.14 -5.09 120.51 117.15 1k6m n ALA 84 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1k6m n ALA 84 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.64 1k6m n ALA 84 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1k6m n VAL 85 N -0.96 0.00 -4.01 0.00 3.14 -0.28 -5.10 118.33 111.11 1k6m n VAL 85 Ca 0.00 -1.86 -0.23 0.00 -2.96 0.00 0.00 64.34 59.29 1k6m n VAL 85 Cb 0.00 -0.27 -0.03 0.00 -1.06 0.00 0.00 33.84 32.48 1k6m n VAL 85 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1k6m s SER 86 N -4.01 6.05 0.01 6.55 1.04 -1.26 -4.38 113.70 117.70 1k6m s SER 86 Ca 0.38 -0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.81 1k6m s SER 86 Cb -0.03 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.36 1k6m s SER 86 CO 0.24 -0.02 -0.01 -0.47 0.98 0.00 0.00 173.24 173.96 1k6m s TYR 87 N -1.94 0.13 0.00 5.02 5.04 -1.26 -4.97 117.35 119.37 1k6m s TYR 87 Ca 0.34 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1k6m s TYR 87 Cb -0.09 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1k6m s TYR 87 CO 0.27 -0.10 0.00 1.17 -1.34 0.00 0.00 175.55 175.56 1k6m n LYS 88 N 2.32 0.00 0.00 4.97 3.00 -1.26 -4.51 118.16 122.68 1k6m n LYS 88 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1k6m n LYS 88 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1k6m n LYS 88 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1k6m n ASN 89 N 0.00 0.00 -0.11 3.14 2.04 -1.26 -5.03 115.26 114.04 1k6m n ASN 89 Ca 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.13 1k6m n ASN 89 Cb 0.00 0.00 0.25 0.00 -2.53 0.00 0.00 39.78 37.50 1k6m n ASN 89 CO 0.00 0.00 0.00 0.10 -0.44 0.00 0.00 177.26 176.92 1k6m h TYR 90 N 0.00 0.78 0.00 -2.53 -0.00 -1.98 -2.86 116.97 110.38 1k6m h TYR 90 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.69 1k6m h TYR 90 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 36.73 36.49 1k6m h TYR 90 CO 0.00 0.62 0.15 0.39 -0.00 0.00 0.00 178.16 179.32 1k6m n GLU 91 N -4.33 0.00 0.21 0.10 1.02 -1.26 -0.42 120.64 115.97 1k6m n GLU 91 Ca 0.04 0.19 0.10 0.00 -0.02 0.00 0.00 57.16 57.47 1k6m n GLU 91 Cb 0.17 -1.65 0.38 0.00 -0.02 0.00 0.00 31.44 30.31 1k6m n GLU 91 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1k6m h PHE 92 N 0.00 0.00 -0.23 -0.32 3.57 -1.93 -2.96 116.94 115.07 1k6m h PHE 92 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1k6m h PHE 92 Cb 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1k6m h PHE 92 CO 0.00 0.23 0.00 1.19 -2.23 0.00 0.00 178.31 177.50 1k6m n PHE 93 N -3.30 0.28 -1.98 0.41 3.01 0.44 -4.71 117.46 111.61 1k6m n PHE 93 Ca 0.01 -0.14 -0.41 0.00 1.01 0.00 0.00 57.45 57.91 1k6m n PHE 93 Cb 0.48 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 1k6m n PHE 93 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k6m s LEU 94 N -1.66 4.38 0.40 4.37 1.43 -1.12 -4.72 118.68 121.76 1k6m s LEU 94 Ca 0.35 2.69 0.11 0.00 -1.03 0.00 0.00 54.13 56.25 1k6m s LEU 94 Cb 0.21 -3.62 0.92 0.00 0.03 0.00 0.00 46.19 43.73 1k6m s LEU 94 CO 0.30 -0.74 1.93 -0.65 0.23 0.00 0.00 176.35 177.43 1k6m h PRO 95 N 5.24 0.53 0.00 1.29 0.11 -1.92 -0.24 132.00 137.02 1k6m h PRO 95 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1k6m h PRO 95 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1k6m h PRO 95 CO 0.80 0.35 -0.06 0.38 -0.21 0.00 0.00 178.00 179.26 1k6m h ASP 96 N 0.55 0.00 -0.22 -2.05 3.04 -1.96 -3.39 116.42 112.38 1k6m h ASP 96 Ca 0.35 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.60 1k6m h ASP 96 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.89 1k6m h ASP 96 CO -0.12 0.06 1.89 -3.20 -2.04 0.00 0.00 179.24 175.82 1k6m n ASN 97 N -3.17 2.94 -0.02 4.15 2.85 -0.10 -4.71 115.26 117.19 1k6m n ASN 97 Ca 0.01 -2.71 0.02 0.00 -0.11 0.00 0.00 54.58 51.78 1k6m n ASN 97 Cb 0.34 -1.41 0.35 0.00 1.24 0.00 0.00 39.78 40.30 1k6m n ASN 97 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k6m h MET 98 N 8.44 0.57 -0.37 1.20 -0.00 -1.84 -1.35 114.93 121.59 1k6m h MET 98 Ca 0.36 -0.07 0.01 0.00 -0.00 0.00 0.00 59.70 59.99 1k6m h MET 98 Cb 0.78 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.25 1k6m h MET 98 CO 1.66 0.48 0.24 1.49 -0.00 0.00 0.00 176.91 180.77 1k6m h GLU 99 N 0.57 0.47 -0.55 -0.10 4.81 -1.97 -2.44 114.58 115.37 1k6m h GLU 99 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1k6m h GLU 99 Cb 0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1k6m h GLU 99 CO -0.01 0.31 0.26 0.00 -0.73 0.00 0.00 179.01 178.83 1k6m h ALA 100 N 1.14 0.71 -0.44 2.92 0.00 -1.63 -2.72 119.26 119.26 1k6m h ALA 100 Ca 0.14 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1k6m h ALA 100 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1k6m h ALA 100 CO -0.04 0.28 0.30 -0.07 0.00 0.00 0.00 179.25 179.73 1k6m h LEU 101 N 0.74 0.13 -0.02 0.00 3.38 -0.93 -1.73 115.31 116.89 1k6m h LEU 101 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1k6m h LEU 101 Cb 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1k6m h LEU 101 CO -0.02 0.08 -0.01 1.56 0.09 0.00 0.00 178.44 180.14 1k6m h GLN 102 N 0.15 0.05 -0.07 1.13 1.08 -1.11 0.18 115.11 116.51 1k6m h GLN 102 Ca 0.20 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1k6m h GLN 102 Cb 0.61 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1k6m h GLN 102 CO -0.03 0.46 -0.25 0.82 -0.95 0.00 0.00 178.83 178.88 1k6m h ILE 103 N -0.36 0.00 -1.11 2.54 5.03 -1.39 0.54 117.51 122.76 1k6m h ILE 103 Ca 0.00 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.05 1k6m h ILE 103 Cb 0.44 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.15 1k6m h ILE 103 CO 0.00 0.00 0.74 0.03 -0.68 0.00 0.00 178.15 178.25 1k6m h ARG 104 N -0.27 0.22 -0.11 2.37 3.08 -1.35 0.37 114.38 118.69 1k6m h ARG 104 Ca 0.02 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1k6m h ARG 104 Cb 0.31 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1k6m h ARG 104 CO -0.20 0.15 -0.71 -0.22 -1.07 0.00 0.00 179.97 177.91 1k6m h LYS 105 N 0.23 0.52 0.01 0.04 3.11 0.14 -1.48 116.57 119.13 1k6m h LYS 105 Ca 0.60 -0.41 -0.19 0.00 -2.81 0.00 0.00 60.65 57.84 1k6m h LYS 105 Cb 1.84 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 33.14 1k6m h LYS 105 CO -0.20 1.03 -0.88 1.96 -2.81 0.00 0.00 179.45 178.55 1k6m h GLN 106 N 0.36 0.13 -0.21 1.90 7.50 0.34 -2.73 115.11 122.40 1k6m h GLN 106 Ca -0.03 -0.15 -0.03 0.00 0.50 0.00 0.00 58.65 58.94 1k6m h GLN 106 Cb 1.30 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.86 1k6m h GLN 106 CO 0.13 0.92 0.01 0.00 -1.50 0.00 0.00 178.83 178.40 1k6m h ALA 108 N 0.81 1.13 -0.04 0.00 0.00 -1.26 0.46 119.26 120.36 1k6m h ALA 108 Ca 0.06 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1k6m h ALA 108 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1k6m h ALA 108 CO 0.01 0.32 -0.80 -0.07 0.00 0.00 0.00 179.25 178.70 1k6m h LEU 109 N 1.00 0.40 0.77 0.00 3.38 -1.28 -0.61 115.31 118.96 1k6m h LEU 109 Ca 0.35 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1k6m h LEU 109 Cb 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1k6m h LEU 109 CO -0.14 1.05 -0.44 0.00 0.09 0.00 0.00 178.44 179.00 1k6m h ALA 110 N 0.93 -1.14 -0.94 1.53 0.00 -0.33 0.17 119.26 119.48 1k6m h ALA 110 Ca -0.04 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.87 1k6m h ALA 110 Cb 1.40 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 19.58 1k6m h ALA 110 CO 0.13 -1.15 0.47 0.00 0.00 0.00 0.00 179.25 178.70 1k6m h ALA 111 N -0.95 1.59 -0.22 0.00 0.00 -0.82 0.36 119.26 119.21 1k6m h ALA 111 Ca -0.10 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1k6m h ALA 111 Cb 0.89 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1k6m h ALA 111 CO 0.12 -0.33 -0.30 -0.07 0.00 0.00 0.00 179.25 178.67 1k6m h LEU 112 N 0.45 0.44 0.19 0.00 3.38 -0.56 0.40 115.31 119.61 1k6m h LEU 112 Ca 0.60 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.42 1k6m h LEU 112 Cb 1.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1k6m h LEU 112 CO -0.52 0.73 -0.26 0.11 0.09 0.00 0.00 178.44 178.59 1k6m h LYS 113 N 0.38 -0.49 -0.78 1.13 1.57 0.17 -0.16 116.57 118.39 1k6m h LYS 113 Ca 0.05 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1k6m h LYS 113 Cb 0.72 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 1k6m h LYS 113 CO 0.06 -0.33 0.47 -0.44 -0.57 0.00 0.00 179.45 178.64 1k6m h ASP 114 N -0.51 0.73 -0.73 0.86 3.32 -1.06 -1.29 116.42 117.74 1k6m h ASP 114 Ca 0.01 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1k6m h ASP 114 Cb 0.50 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1k6m h ASP 114 CO -0.10 0.47 0.46 0.58 -1.72 0.00 0.00 179.24 178.93 1k6m h VAL 115 N 0.86 1.09 0.23 -1.35 2.07 -0.30 0.32 116.25 119.18 1k6m h VAL 115 Ca 0.34 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1k6m h VAL 115 Cb 0.17 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1k6m h VAL 115 CO -0.17 0.16 -0.11 -0.74 0.02 0.00 0.00 177.57 176.73 1k6m h HIS 116 N 0.88 -0.29 0.00 1.57 -0.00 -0.04 -1.65 115.15 115.62 1k6m h HIS 116 Ca 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 1k6m h HIS 116 Cb 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1k6m h HIS 116 CO -0.04 -0.05 0.00 -2.95 -0.00 0.00 0.00 177.93 174.89 1k6m h ASN 117 N -0.50 0.00 -0.09 3.26 -1.07 -1.07 0.90 115.58 117.01 1k6m h ASN 117 Ca -0.03 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.19 1k6m h ASN 117 Cb 0.37 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.63 1k6m h ASN 117 CO 0.05 0.00 -0.52 0.22 0.07 0.00 0.00 177.43 177.25 1k6m h TYR 118 N 0.00 0.71 0.00 4.14 3.20 -0.73 0.36 116.97 124.64 1k6m h TYR 118 Ca 0.00 -0.32 -0.12 0.00 3.14 0.00 0.00 58.73 61.44 1k6m h TYR 118 Cb 0.46 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1k6m h TYR 118 CO 0.00 1.10 -1.33 1.28 -1.64 0.00 0.00 178.16 177.58 1k6m n LEU 119 N -4.22 0.82 -0.08 2.82 4.77 -0.64 -0.12 117.00 120.34 1k6m n LEU 119 Ca -0.08 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 1k6m n LEU 119 Cb 0.61 0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.58 1k6m n LEU 119 CO 0.47 0.05 -1.09 -1.20 -1.33 0.00 0.00 177.39 174.28 1k6m n SER 120 N -2.80 0.08 -0.01 -1.43 7.64 0.31 -4.33 113.62 113.06 1k6m n SER 120 Ca -0.07 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.79 1k6m n SER 120 Cb 0.75 1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 65.08 1k6m n SER 120 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1k6m n HIS 121 N -2.66 0.00 1.58 1.43 8.25 -0.33 -4.72 115.22 118.77 1k6m n HIS 121 Ca -0.28 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1k6m n HIS 121 Cb 1.06 -0.12 0.59 0.00 1.12 0.00 0.00 29.99 32.63 1k6m n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1k6m n GLU 122 N -2.38 1.56 -2.22 -0.41 1.02 0.11 -4.96 120.64 113.37 1k6m n GLU 122 Ca -0.05 -0.81 -0.11 0.00 -0.02 0.00 0.00 57.16 56.17 1k6m n GLU 122 Cb 0.57 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.50 1k6m n GLU 122 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k6m n GLU 123 N -0.01 -0.91 -1.44 3.49 1.02 -1.07 -4.95 120.64 116.76 1k6m n GLU 123 Ca 0.20 0.55 -0.30 0.00 -0.02 0.00 0.00 57.16 57.59 1k6m n GLU 123 Cb 0.31 -4.69 0.09 0.00 -0.02 0.00 0.00 31.44 27.14 1k6m n GLU 123 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1k6m s GLY 124 N -2.49 1.64 -0.12 0.62 0.00 0.83 -4.94 107.32 102.86 1k6m s GLY 124 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1k6m s GLY 124 CO 0.00 0.37 -0.05 1.42 0.00 0.00 0.00 173.10 174.84 1k6m n HIS 125 N -3.47 0.00 -3.76 1.90 8.25 0.22 -4.62 115.22 113.74 1k6m n HIS 125 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 1k6m n HIS 125 Cb 0.55 -0.52 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 1k6m n HIS 125 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k6m s VAL 126 N -2.26 -0.06 -0.15 1.59 1.01 -0.85 -1.21 120.40 118.46 1k6m s VAL 126 Ca -0.12 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1k6m s VAL 126 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.31 1k6m s VAL 126 CO 0.37 0.09 -0.16 0.00 0.00 0.00 0.00 175.10 175.40 1k6m s ALA 127 N 1.16 2.45 -0.28 5.51 0.00 0.17 -1.87 121.76 128.91 1k6m s ALA 127 Ca -0.08 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 1k6m s ALA 127 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1k6m s ALA 127 CO -0.04 -0.06 0.24 0.08 0.00 0.00 0.00 175.76 175.99 1k6m s VAL 128 N 0.85 5.27 -0.70 0.00 1.01 -0.40 -1.05 120.40 125.39 1k6m s VAL 128 Ca -0.05 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1k6m s VAL 128 Cb -0.15 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.74 1k6m s VAL 128 CO -0.01 0.21 0.93 0.12 0.00 0.00 0.00 175.10 176.35 1k6m s PHE 129 N 1.84 2.85 -0.57 5.22 5.36 0.13 -0.91 117.98 131.91 1k6m s PHE 129 Ca 0.09 -0.84 -0.20 0.00 -0.96 0.00 0.00 56.93 55.03 1k6m s PHE 129 Cb -0.16 -4.22 0.08 0.00 -0.34 0.00 0.00 43.02 38.39 1k6m s PHE 129 CO 0.11 -1.52 0.73 0.34 -1.46 0.00 0.00 175.22 173.41 1k6m s ASP 130 N 3.64 6.20 0.19 6.13 2.15 0.21 -1.53 116.67 133.66 1k6m s ASP 130 Ca 0.21 -1.17 -0.24 0.00 0.43 0.00 0.00 52.55 51.78 1k6m s ASP 130 Cb -0.16 -2.32 0.05 0.00 -0.30 0.00 0.00 42.92 40.19 1k6m s ASP 130 CO 0.05 -1.10 0.89 0.00 -0.17 0.00 0.00 175.17 174.84 1k6m s ALA 131 N 2.92 -1.52 0.18 3.66 0.00 -1.26 -1.57 121.76 124.17 1k6m s ALA 131 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1k6m s ALA 131 Cb -0.21 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.70 1k6m s ALA 131 CO 0.09 -1.04 1.78 1.79 0.00 0.00 0.00 175.76 178.38 1k6m h THR 132 N 2.00 1.20 -6.98 0.00 1.35 -1.82 -3.37 112.91 105.30 1k6m h THR 132 Ca -0.22 -0.54 -0.59 0.00 -0.55 0.00 0.00 66.41 64.50 1k6m h THR 132 Cb 1.24 0.44 -0.22 0.00 -1.73 0.00 0.00 68.15 67.87 1k6m h THR 132 CO 0.25 0.23 -0.93 0.59 -0.25 0.00 0.00 175.52 175.40 1k6m n ASN 133 N -4.55 -0.32 0.00 5.36 3.02 -1.26 -0.60 115.26 116.91 1k6m n ASN 133 Ca 0.04 -1.20 0.13 0.00 -0.03 0.00 0.00 54.58 53.53 1k6m n ASN 133 Cb 0.10 -1.96 0.59 0.00 -0.61 0.00 0.00 39.78 37.90 1k6m n ASN 133 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k6m n THR 134 N -4.42 0.09 -4.53 3.41 -2.24 -1.26 -4.69 114.28 100.64 1k6m n THR 134 Ca -0.18 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1k6m n THR 134 Cb 0.62 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 1k6m n THR 134 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k6m s THR 135 N -3.00 3.92 0.41 4.28 -4.23 -1.26 0.52 115.64 116.27 1k6m s THR 135 Ca 0.13 -0.40 0.13 0.00 -1.18 0.00 0.00 61.69 60.37 1k6m s THR 135 Cb 0.18 -2.62 0.33 0.00 1.34 0.00 0.00 72.50 71.73 1k6m s THR 135 CO 0.51 0.60 1.94 0.03 -0.54 0.00 0.00 174.62 177.17 1k6m h ARG 136 N 5.20 0.49 0.67 3.99 3.08 -1.89 -1.54 114.38 124.38 1k6m h ARG 136 Ca -0.49 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 1k6m h ARG 136 Cb 1.18 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1k6m h ARG 136 CO 0.53 0.32 -0.51 1.49 -1.07 0.00 0.00 179.97 180.74 1k6m h GLU 137 N 0.50 -1.09 -0.50 0.04 4.81 -1.97 -1.23 114.58 115.14 1k6m h GLU 137 Ca 0.33 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.73 1k6m h GLU 137 Cb 0.61 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.16 1k6m h GLU 137 CO -0.11 -0.72 -0.00 -0.09 -0.73 0.00 0.00 179.01 177.35 1k6m h ARG 138 N -1.13 0.11 -0.78 1.92 9.65 -1.68 -1.15 114.38 121.32 1k6m h ARG 138 Ca -0.09 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.84 1k6m h ARG 138 Cb 0.94 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.44 1k6m h ARG 138 CO 0.03 0.07 0.51 0.00 2.80 0.00 0.00 179.97 183.38 1k6m h ARG 139 N 0.11 0.87 -0.65 0.20 3.08 -1.24 -1.84 114.38 114.90 1k6m h ARG 139 Ca 0.25 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1k6m h ARG 139 Cb 0.38 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1k6m h ARG 139 CO -0.42 0.57 0.30 0.77 -1.07 0.00 0.00 179.97 180.12 1k6m h SER 140 N 0.89 0.87 -0.50 7.04 0.02 -0.00 0.61 113.55 122.48 1k6m h SER 140 Ca 0.33 -0.14 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1k6m h SER 140 Cb 0.16 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 1k6m h SER 140 CO -0.11 0.77 0.03 0.25 -1.14 0.00 0.00 176.83 176.63 1k6m h LEU 141 N 0.91 -0.14 0.32 5.07 6.46 -0.67 0.32 115.31 127.57 1k6m h LEU 141 Ca 0.22 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1k6m h LEU 141 Cb 0.14 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1k6m h LEU 141 CO -0.03 -0.04 -0.15 0.40 -0.62 0.00 0.00 178.44 178.00 1k6m h ILE 142 N 0.15 0.70 -0.48 4.05 2.04 -0.79 -0.87 117.51 122.31 1k6m h ILE 142 Ca 0.25 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.80 1k6m h ILE 142 Cb 0.37 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1k6m h ILE 142 CO -0.39 0.09 0.34 -0.07 0.00 0.00 0.00 178.15 178.12 1k6m h LEU 143 N -0.68 0.03 0.60 1.44 3.38 0.67 0.40 115.31 121.15 1k6m h LEU 143 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1k6m h LEU 143 Cb 0.47 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1k6m h LEU 143 CO 0.07 0.02 -0.29 -0.61 0.09 0.00 0.00 178.44 177.72 1k6m h GLN 144 N 0.03 -0.78 -0.60 1.13 5.75 -0.11 0.32 115.11 120.85 1k6m h GLN 144 Ca 0.23 0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.90 1k6m h GLN 144 Cb 0.87 0.18 -0.10 0.00 1.07 0.00 0.00 27.48 29.50 1k6m h GLN 144 CO -0.01 -0.52 0.03 0.35 -2.65 0.00 0.00 178.83 176.03 1k6m h PHE 145 N -1.15 0.01 0.23 3.99 3.57 -0.28 0.26 116.94 123.57 1k6m h PHE 145 Ca -0.08 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1k6m h PHE 145 Cb 0.62 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1k6m h PHE 145 CO 0.01 -0.13 -0.33 0.00 -2.23 0.00 0.00 178.31 175.63 1k6m h ALA 146 N 1.53 -0.64 -0.59 2.41 0.00 -0.16 -0.98 119.26 120.83 1k6m h ALA 146 Ca 0.31 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1k6m h ALA 146 Cb 0.49 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1k6m h ALA 146 CO -0.49 -0.90 0.07 -0.22 0.00 0.00 0.00 179.25 177.71 1k6m h LYS 147 N -0.62 0.18 -0.25 0.00 1.63 0.16 0.35 116.57 118.03 1k6m h LYS 147 Ca 0.00 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1k6m h LYS 147 Cb 0.60 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 1k6m h LYS 147 CO -0.13 0.12 -0.04 0.93 -3.45 0.00 0.00 179.45 176.88 1k6m h GLU 148 N 0.19 0.02 -0.03 1.90 5.08 0.01 -2.70 114.58 119.06 1k6m h GLU 148 Ca 0.31 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1k6m h GLU 148 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1k6m h GLU 148 CO -0.44 0.02 0.00 0.72 -1.00 0.00 0.00 179.01 178.30 1k6m n HIS 149 N -5.20 0.02 -3.02 4.33 8.25 -0.43 -4.96 115.22 114.21 1k6m n HIS 149 Ca -0.01 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1k6m n HIS 149 Cb 0.14 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.30 1k6m n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k6m n GLY 150 N 1.15 0.12 3.64 -1.41 0.00 0.12 -5.04 105.19 103.77 1k6m n GLY 150 Ca 0.19 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1k6m n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k6m s TYR 151 N -3.18 3.09 0.65 1.61 4.12 -0.95 -4.53 117.35 118.17 1k6m s TYR 151 Ca 0.25 0.11 -0.11 0.00 0.02 0.00 0.00 57.07 57.33 1k6m s TYR 151 Cb -0.11 -1.79 -0.02 0.00 -1.52 0.00 0.00 41.96 38.53 1k6m s TYR 151 CO 0.39 0.39 1.04 0.15 0.02 0.00 0.00 175.55 177.54 1k6m s LYS 152 N -0.74 3.27 -0.01 -0.62 1.02 -0.72 -4.51 119.74 117.42 1k6m s LYS 152 Ca 0.11 0.87 0.01 0.00 0.02 0.00 0.00 55.97 56.99 1k6m s LYS 152 Cb -0.11 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1k6m s LYS 152 CO 0.02 -0.83 -0.05 0.08 -0.92 0.00 0.00 175.35 173.65 1k6m s VAL 153 N -3.08 0.42 -0.02 3.17 1.01 -1.26 -0.93 120.40 119.70 1k6m s VAL 153 Ca 0.57 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1k6m s VAL 153 Cb -0.13 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1k6m s VAL 153 CO 0.54 0.14 -0.02 0.12 0.00 0.00 0.00 175.10 175.88 1k6m s PHE 154 N 0.21 0.38 -0.00 5.22 5.36 -0.58 -4.40 117.98 124.16 1k6m s PHE 154 Ca -0.02 -0.06 0.02 0.00 -0.96 0.00 0.00 56.93 55.91 1k6m s PHE 154 Cb -0.06 -0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 42.24 1k6m s PHE 154 CO -0.00 -0.08 -0.02 -0.06 -1.46 0.00 0.00 175.22 173.60 1k6m s PHE 155 N 0.46 3.01 -0.21 10.12 0.40 -0.73 0.47 117.98 131.50 1k6m s PHE 155 Ca -0.05 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 1k6m s PHE 155 Cb -0.08 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 41.85 1k6m s PHE 155 CO -0.01 0.43 -0.08 0.42 0.70 0.00 0.00 175.22 176.68 1k6m s ILE 156 N -1.04 1.57 -0.26 0.64 1.01 0.67 -1.32 121.20 122.47 1k6m s ILE 156 Ca 0.18 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 1k6m s ILE 156 Cb -0.11 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1k6m s ILE 156 CO 0.09 0.08 0.01 -0.70 0.00 0.00 0.00 174.94 174.41 1k6m s GLU 157 N 1.41 3.15 -0.37 2.79 2.12 -0.62 -0.27 118.70 126.91 1k6m s GLU 157 Ca -0.03 -0.79 -0.17 0.00 0.36 0.00 0.00 54.97 54.35 1k6m s GLU 157 Cb -0.17 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1k6m s GLU 157 CO -0.07 -0.34 0.44 0.45 -0.54 0.00 0.00 175.26 175.19 1k6m s SER 158 N 1.46 6.23 -0.20 -1.70 0.15 -0.69 -0.31 113.70 118.65 1k6m s SER 158 Ca 0.03 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 1k6m s SER 158 Cb -0.16 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1k6m s SER 158 CO -0.01 -0.47 -0.11 -0.63 1.20 0.00 0.00 173.24 173.22 1k6m s ILE 159 N 2.19 2.86 -0.14 6.45 1.01 0.06 -4.49 121.20 129.15 1k6m s ILE 159 Ca 0.14 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1k6m s ILE 159 Cb -0.16 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.11 1k6m s ILE 159 CO 0.13 0.48 0.29 0.00 0.00 0.00 0.00 174.94 175.83 1k6m n ASN 161 N 5.10 4.66 -3.96 0.00 5.03 -1.26 -4.96 115.26 119.88 1k6m n ASN 161 Ca -0.11 -3.71 -0.30 0.00 0.87 0.00 0.00 54.58 51.34 1k6m n ASN 161 Cb 0.50 -0.52 -0.16 0.00 -1.02 0.00 0.00 39.78 38.58 1k6m n ASN 161 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1k6m s ASP 162 N -3.46 3.63 0.42 6.41 -1.08 -1.26 -4.98 116.67 116.36 1k6m s ASP 162 Ca 0.48 -1.04 0.16 0.00 -0.52 0.00 0.00 52.55 51.63 1k6m s ASP 162 Cb 0.34 -1.18 1.07 0.00 -1.46 0.00 0.00 42.92 41.68 1k6m s ASP 162 CO -0.17 -0.20 1.90 -0.65 0.52 0.00 0.00 175.17 176.57 1k6m h PRO 163 N 7.97 0.40 0.94 4.34 0.11 -1.99 -1.49 132.00 142.28 1k6m h PRO 163 Ca -0.22 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 1k6m h PRO 163 Cb 1.08 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.11 1k6m h PRO 163 CO 0.43 0.26 -0.45 0.78 -0.21 0.00 0.00 178.00 178.82 1k6m h GLY 164 N 0.41 -1.31 0.12 -0.55 0.00 -1.99 0.58 103.07 100.32 1k6m h GLY 164 Ca 0.41 0.49 0.12 0.00 0.00 0.00 0.00 47.33 48.34 1k6m h GLY 164 CO -0.14 -0.48 0.12 -2.22 0.00 0.00 0.00 176.54 173.82 1k6m h ILE 165 N -1.29 0.60 -0.38 2.60 2.04 -1.73 -1.02 117.51 118.34 1k6m h ILE 165 Ca -0.13 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 1k6m h ILE 165 Cb 0.97 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1k6m h ILE 165 CO 0.21 0.04 -0.17 0.40 0.00 0.00 0.00 178.15 178.64 1k6m h ILE 166 N 0.24 1.26 0.37 -0.67 5.03 -1.23 -1.86 117.51 120.65 1k6m h ILE 166 Ca 0.33 -1.22 -0.01 0.00 -0.12 0.00 0.00 64.86 63.84 1k6m h ILE 166 Cb 0.50 1.15 -0.01 0.00 -3.03 0.00 0.00 36.82 35.44 1k6m h ILE 166 CO -0.43 0.41 -0.26 0.00 -0.68 0.00 0.00 178.15 177.19 1k6m h ALA 167 N 1.19 -0.62 -0.66 1.87 0.00 0.39 -1.45 119.26 119.99 1k6m h ALA 167 Ca 0.10 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1k6m h ALA 167 Cb 0.64 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1k6m h ALA 167 CO 0.04 -0.86 0.30 1.49 0.00 0.00 0.00 179.25 180.22 1k6m h GLU 168 N -0.62 0.51 -0.64 0.00 4.57 -1.24 -0.19 114.58 116.97 1k6m h GLU 168 Ca -0.03 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1k6m h GLU 168 Cb 0.53 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.93 1k6m h GLU 168 CO 0.02 0.33 0.28 -0.91 -1.18 0.00 0.00 179.01 177.55 1k6m h ASN 169 N 0.52 0.32 -0.32 1.04 -0.26 -0.76 0.92 115.58 117.04 1k6m h ASN 169 Ca 0.32 0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 56.09 1k6m h ASN 169 Cb 0.35 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1k6m h ASN 169 CO -0.27 0.19 0.04 0.40 -1.06 0.00 0.00 177.43 176.73 1k6m h ILE 170 N 0.48 1.24 0.21 2.81 2.04 -0.37 0.15 117.51 124.07 1k6m h ILE 170 Ca 0.32 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1k6m h ILE 170 Cb 0.36 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1k6m h ILE 170 CO -0.28 0.28 -0.28 0.03 0.00 0.00 0.00 178.15 177.89 1k6m h ARG 171 N 0.36 -0.49 -0.34 2.37 3.08 0.20 0.16 114.38 119.71 1k6m h ARG 171 Ca 0.10 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1k6m h ARG 171 Cb 0.36 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 1k6m h ARG 171 CO 0.01 -0.33 -0.41 1.96 -1.07 0.00 0.00 179.97 180.13 1k6m h GLN 172 N -0.51 -0.34 0.00 0.04 4.20 0.89 -3.33 115.11 116.06 1k6m h GLN 172 Ca -0.03 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1k6m h GLN 172 Cb 0.46 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1k6m h GLN 172 CO -0.07 -0.23 -1.39 1.33 -0.67 0.00 0.00 178.83 177.80 1k6m n VAL 173 N -5.42 0.10 0.01 -0.54 0.24 0.51 -4.76 118.33 108.47 1k6m n VAL 173 Ca -0.01 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.01 1k6m n VAL 173 Cb 0.35 0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.70 1k6m n VAL 173 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1k6m h LYS 174 N 0.00 0.00 -0.55 7.34 1.79 -0.77 -3.26 116.57 121.11 1k6m h LYS 174 Ca -0.04 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.54 1k6m h LYS 174 Cb 0.57 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1k6m h LYS 174 CO 0.00 0.60 0.38 -0.07 -1.08 0.00 0.00 179.45 179.28 1k6m h LEU 175 N 0.00 0.26 -3.43 2.94 3.38 -1.39 -1.59 115.31 115.48 1k6m h LEU 175 Ca -0.19 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1k6m h LEU 175 Cb 1.88 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.51 1k6m h LEU 175 CO 0.09 0.15 0.07 0.61 0.09 0.00 0.00 178.44 179.45 1k6m n GLY 176 N -1.55 4.25 3.79 0.83 0.00 -1.25 -4.80 105.19 106.45 1k6m n GLY 176 Ca 0.09 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1k6m n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k6m s SER 177 N -1.89 5.62 0.25 1.61 0.15 -0.60 -4.93 113.70 113.90 1k6m s SER 177 Ca 0.47 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 59.04 1k6m s SER 177 Cb 0.39 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 62.61 1k6m s SER 177 CO 0.07 -1.28 1.74 -0.65 1.20 0.00 0.00 173.24 174.32 1k6m h PRO 178 N 0.59 0.49 -0.01 5.44 0.11 -1.93 -2.99 132.00 133.70 1k6m h PRO 178 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1k6m h PRO 178 Cb 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1k6m h PRO 178 CO 0.56 0.32 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.21 1k6m h ASP 179 N 0.51 -0.08 -0.54 -2.05 3.32 -1.92 -3.09 116.42 112.57 1k6m h ASP 179 Ca 0.42 0.01 -0.64 0.00 0.02 0.00 0.00 57.03 56.83 1k6m h ASP 179 Cb 0.60 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1k6m h ASP 179 CO -0.38 -0.02 2.31 -1.22 -1.72 0.00 0.00 179.24 178.21 1k6m n TYR 180 N -2.69 3.96 0.00 4.55 4.02 -1.13 -4.62 117.16 121.26 1k6m n TYR 180 Ca -0.00 -2.64 0.00 0.00 -0.01 0.00 0.00 57.90 55.25 1k6m n TYR 180 Cb 0.02 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 36.78 1k6m n TYR 180 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1k6m n ILE 181 N 6.22 0.00 -1.48 -0.72 -6.64 -1.17 -4.26 119.36 111.31 1k6m n ILE 181 Ca 0.49 0.00 -0.49 0.00 -1.77 0.00 0.00 62.75 60.99 1k6m n ILE 181 Cb 0.44 -0.59 -0.06 0.00 -1.44 0.00 0.00 39.64 37.99 1k6m n ILE 181 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1k6m n ASP 182 N 0.00 2.42 -2.99 7.28 -0.08 -1.26 -4.82 116.55 117.10 1k6m n ASP 182 Ca 0.00 0.35 -0.17 0.00 -1.51 0.00 0.00 54.79 53.46 1k6m n ASP 182 Cb 0.00 -1.34 -0.06 0.00 2.34 0.00 0.00 41.12 42.06 1k6m n ASP 182 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k6m n ASP 184 N -1.83 0.00 0.00 0.00 8.00 -1.26 -5.00 116.55 116.46 1k6m n ASP 184 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k6m n ASP 184 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1k6m n ASP 184 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1k6m n ARG 185 N 0.00 0.05 0.08 -1.24 1.85 -1.26 -4.31 116.66 111.83 1k6m n ARG 185 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 1k6m n ARG 185 Cb 0.00 0.00 0.36 0.00 -1.05 0.00 0.00 32.46 31.77 1k6m n ARG 185 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1k6m n GLU 186 N 0.00 0.09 -0.25 2.89 2.13 -1.26 -3.19 120.64 121.06 1k6m n GLU 186 Ca 0.00 0.47 0.03 0.00 0.66 0.00 0.00 57.16 58.33 1k6m n GLU 186 Cb 0.00 -1.73 0.08 0.00 0.27 0.00 0.00 31.44 30.06 1k6m n GLU 186 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1k6m n LYS 187 N -1.91 -0.08 0.26 5.31 4.76 -1.26 0.13 118.16 125.36 1k6m n LYS 187 Ca 0.01 1.06 -0.16 0.00 -2.87 0.00 0.00 58.31 56.35 1k6m n LYS 187 Cb 0.10 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.63 1k6m n LYS 187 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1k6m h VAL 188 N 0.00 0.50 0.04 -0.18 2.07 -1.74 -0.10 116.25 116.85 1k6m h VAL 188 Ca 0.31 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 1k6m h VAL 188 Cb 0.48 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1k6m h VAL 188 CO -0.70 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 176.81 1k6m h LEU 189 N -0.63 -1.00 -0.54 2.57 7.12 0.83 -0.06 115.31 123.60 1k6m h LEU 189 Ca -0.05 0.12 0.06 0.00 0.13 0.00 0.00 57.88 58.14 1k6m h LEU 189 Cb 0.51 0.39 -0.08 0.00 -0.53 0.00 0.00 40.66 40.95 1k6m h LEU 189 CO 0.07 -0.41 -0.50 -0.08 -0.13 0.00 0.00 178.44 177.40 1k6m h GLU 190 N -0.51 -0.22 -0.38 1.25 4.22 -0.18 0.82 114.58 119.58 1k6m h GLU 190 Ca 0.05 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.58 1k6m h GLU 190 Cb 0.58 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1k6m h GLU 190 CO -0.25 -0.15 0.27 0.22 -2.18 0.00 0.00 179.01 176.92 1k6m h ASP 191 N -0.23 0.17 0.07 1.04 1.82 -0.60 -1.57 116.42 117.12 1k6m h ASP 191 Ca 0.09 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.62 1k6m h ASP 191 Cb 0.46 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.45 1k6m h ASP 191 CO -0.63 0.11 -0.54 0.15 -1.61 0.00 0.00 179.24 176.72 1k6m h PHE 192 N 0.19 0.27 -0.70 0.28 3.57 0.13 0.34 116.94 121.02 1k6m h PHE 192 Ca 0.18 -0.19 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1k6m h PHE 192 Cb 0.46 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 1k6m h PHE 192 CO -0.00 1.21 0.32 -0.07 -2.23 0.00 0.00 178.31 177.54 1k6m h LEU 193 N -0.68 0.37 -0.17 0.59 3.38 0.71 0.21 115.31 119.72 1k6m h LEU 193 Ca -0.11 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1k6m h LEU 193 Cb 1.35 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1k6m h LEU 193 CO 0.06 0.20 0.05 0.11 0.09 0.00 0.00 178.44 178.94 1k6m h LYS 194 N 0.52 0.13 -0.61 1.13 1.57 -1.33 -0.24 116.57 117.75 1k6m h LYS 194 Ca 0.36 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.26 1k6m h LYS 194 Cb 0.44 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1k6m h LYS 194 CO -0.31 0.08 0.06 -0.09 -0.57 0.00 0.00 179.45 178.63 1k6m h ARG 195 N 0.13 0.18 0.10 3.15 2.43 0.11 -0.59 114.38 119.89 1k6m h ARG 195 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1k6m h ARG 195 Cb 0.05 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1k6m h ARG 195 CO -0.09 0.12 -0.06 0.82 -1.51 0.00 0.00 179.97 179.25 1k6m h ILE 196 N 0.18 0.88 -0.65 1.20 2.04 0.10 -2.84 117.51 118.43 1k6m h ILE 196 Ca 0.32 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.30 1k6m h ILE 196 Cb 0.51 0.88 -0.12 0.00 -0.74 0.00 0.00 36.82 37.34 1k6m h ILE 196 CO -0.47 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 177.07 1k6m h GLU 197 N -0.15 -0.10 -0.87 2.37 5.08 0.37 0.29 114.58 121.57 1k6m h GLU 197 Ca -0.01 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1k6m h GLU 197 Cb 0.12 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.23 1k6m h GLU 197 CO 0.02 -0.06 -0.18 0.00 -1.00 0.00 0.00 179.01 177.78 1k6m h TYR 199 N 0.01 0.33 0.00 0.00 -1.99 -0.47 -3.11 116.97 111.73 1k6m h TYR 199 Ca 0.43 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 61.05 1k6m h TYR 199 Cb 0.68 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1k6m h TYR 199 CO -0.65 0.73 -0.01 0.93 -0.00 0.00 0.00 178.16 179.17 1k6m h GLU 200 N 0.21 0.00 -0.01 4.88 5.08 0.10 -3.09 114.58 121.75 1k6m h GLU 200 Ca 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1k6m h GLU 200 Cb 0.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1k6m h GLU 200 CO 0.08 0.01 -0.34 0.28 -1.00 0.00 0.00 179.01 178.04 1k6m h VAL 201 N 0.00 0.00 -0.77 3.13 2.07 -1.41 -3.09 116.25 116.18 1k6m h VAL 201 Ca -0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1k6m h VAL 201 Cb 0.01 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.63 1k6m h VAL 201 CO 0.00 0.00 0.32 0.59 0.02 0.00 0.00 177.57 178.50 1k6m n ASN 202 N -4.36 4.69 -4.66 0.57 3.02 -1.22 -4.99 115.26 108.32 1k6m n ASN 202 Ca -0.05 -3.28 -0.43 0.00 -0.03 0.00 0.00 54.58 50.80 1k6m n ASN 202 Cb 0.25 -0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1k6m n ASN 202 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1k6m s TYR 203 N -3.04 2.20 -0.52 3.10 5.04 -1.17 -4.52 117.35 118.44 1k6m s TYR 203 Ca 0.55 0.44 0.04 0.00 -2.44 0.00 0.00 57.07 55.66 1k6m s TYR 203 Cb 0.45 -3.83 0.13 0.00 0.35 0.00 0.00 41.96 39.06 1k6m s TYR 203 CO 0.13 -3.20 0.26 -0.65 -1.34 0.00 0.00 175.55 170.76 1k6m s GLN 204 N 4.01 1.93 0.99 4.97 -0.21 0.18 -5.02 119.66 126.52 1k6m s GLN 204 Ca 0.69 -2.59 -0.14 0.00 0.02 0.00 0.00 55.36 53.33 1k6m s GLN 204 Cb -0.29 -3.24 0.07 0.00 1.00 0.00 0.00 33.01 30.55 1k6m s GLN 204 CO 0.26 -1.12 0.40 -2.30 -2.12 0.00 0.00 175.29 170.41 1k6m n PRO 205 N 3.11 -0.66 -2.10 2.91 -0.02 -1.26 -4.56 135.00 132.42 1k6m n PRO 205 Ca 0.06 -0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 60.97 1k6m n PRO 205 Cb 0.32 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1k6m n PRO 205 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k6m s LEU 206 N -1.76 4.41 -0.19 2.45 1.43 -1.26 -4.97 118.68 118.78 1k6m s LEU 206 Ca 0.58 2.58 -0.09 0.00 -1.03 0.00 0.00 54.13 56.17 1k6m s LEU 206 Cb -0.19 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1k6m s LEU 206 CO 0.66 -0.61 0.10 -0.62 0.23 0.00 0.00 176.35 176.11 1k6m s ASP 207 N 0.18 5.95 0.59 2.29 2.15 -1.26 -4.98 116.67 121.59 1k6m s ASP 207 Ca 0.56 0.17 0.39 0.00 0.43 0.00 0.00 52.55 54.10 1k6m s ASP 207 Cb -0.40 -2.03 1.93 0.00 -0.30 0.00 0.00 42.92 42.13 1k6m s ASP 207 CO 0.43 0.18 2.17 1.05 -0.17 0.00 0.00 175.17 178.84 1k6m h GLU 208 N 6.64 0.00 0.00 4.34 4.11 -1.93 0.22 114.58 127.96 1k6m h GLU 208 Ca -0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1k6m h GLU 208 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1k6m h GLU 208 CO 0.73 0.00 -0.99 -1.91 0.07 0.00 0.00 179.01 176.91 1k6m n GLU 209 N -3.01 0.52 0.25 1.06 4.07 -1.26 -3.57 120.64 118.69 1k6m n GLU 209 Ca -0.01 0.29 0.09 0.00 -0.06 0.00 0.00 57.16 57.47 1k6m n GLU 209 Cb 0.16 -1.50 0.64 0.00 -0.06 0.00 0.00 31.44 30.68 1k6m n GLU 209 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1k6m h LEU 210 N -1.00 0.00 -2.78 4.31 3.38 -1.98 -2.58 115.31 114.66 1k6m h LEU 210 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1k6m h LEU 210 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1k6m h LEU 210 CO -0.03 0.12 0.00 0.47 0.09 0.00 0.00 178.44 179.09 1k6m n ASP 211 N -4.12 3.27 -0.30 -0.43 8.00 0.78 -4.70 116.55 119.05 1k6m n ASP 211 Ca -0.02 -1.98 0.21 0.00 0.71 0.00 0.00 54.79 53.71 1k6m n ASP 211 Cb 0.20 -0.31 0.40 0.00 -0.02 0.00 0.00 41.12 41.39 1k6m n ASP 211 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1k6m n SER 212 N 0.94 0.12 0.17 -2.24 2.88 -0.97 -0.06 113.62 114.46 1k6m n SER 212 Ca 0.16 1.51 0.04 0.00 -1.33 0.00 0.00 58.87 59.25 1k6m n SER 212 Cb 0.50 -0.65 0.29 0.00 -0.75 0.00 0.00 64.21 63.60 1k6m n SER 212 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1k6m h HIS 213 N 0.00 0.00 -4.22 0.66 2.07 -1.84 -3.46 115.15 108.35 1k6m h HIS 213 Ca 0.66 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.67 1k6m h HIS 213 Cb 1.59 0.00 0.11 0.00 2.57 0.00 0.00 27.41 31.68 1k6m h HIS 213 CO -0.22 0.44 0.36 -0.51 -3.07 0.00 0.00 177.93 174.93 1k6m s LEU 214 N -7.23 3.32 -0.22 6.12 1.43 0.91 -5.00 118.68 118.02 1k6m s LEU 214 Ca -0.00 1.95 -0.08 0.00 -1.03 0.00 0.00 54.13 54.96 1k6m s LEU 214 Cb 0.11 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1k6m s LEU 214 CO 0.71 -1.67 0.09 -0.44 0.23 0.00 0.00 176.35 175.26 1k6m s SER 215 N -2.78 5.63 0.22 2.29 0.01 -1.26 -4.47 113.70 113.34 1k6m s SER 215 Ca 0.65 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.71 1k6m s SER 215 Cb -0.19 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.11 1k6m s SER 215 CO 0.44 0.09 0.95 -0.72 0.41 0.00 0.00 173.24 174.41 1k6m s TYR 216 N 0.88 -0.00 -0.04 2.43 -0.85 0.06 -1.77 117.35 118.06 1k6m s TYR 216 Ca 0.05 -0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.16 1k6m s TYR 216 Cb -0.13 0.71 0.03 0.00 0.38 0.00 0.00 41.96 42.95 1k6m s TYR 216 CO 0.03 -1.03 0.07 -1.50 -1.52 0.00 0.00 175.55 171.59 1k6m s ILE 217 N -2.67 -0.07 -0.21 -3.49 2.07 -0.44 -0.72 121.20 115.67 1k6m s ILE 217 Ca 0.17 0.24 -0.08 0.00 -1.41 0.00 0.00 60.65 59.57 1k6m s ILE 217 Cb -0.03 -0.14 -0.04 0.00 0.13 0.00 0.00 42.46 42.39 1k6m s ILE 217 CO 0.06 0.10 0.08 -0.54 -1.91 0.00 0.00 174.94 172.72 1k6m s LYS 218 N 1.26 3.92 -0.24 3.50 1.02 0.51 -1.59 119.74 128.12 1k6m s LYS 218 Ca -0.07 -0.36 -0.07 0.00 0.02 0.00 0.00 55.97 55.49 1k6m s LYS 218 Cb -0.13 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1k6m s LYS 218 CO -0.04 0.13 0.05 0.42 -0.92 0.00 0.00 175.35 174.99 1k6m s ILE 219 N 0.79 4.21 -0.12 2.17 1.01 0.58 -1.24 121.20 128.60 1k6m s ILE 219 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1k6m s ILE 219 Cb -0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1k6m s ILE 219 CO 0.02 0.36 -0.06 -0.36 0.00 0.00 0.00 174.94 174.90 1k6m s PHE 220 N 1.50 2.97 -0.98 3.97 0.40 -0.25 -0.76 117.98 124.83 1k6m s PHE 220 Ca 0.06 -0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.02 1k6m s PHE 220 Cb -0.15 -1.86 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 1k6m s PHE 220 CO 0.03 0.05 0.73 -0.25 0.70 0.00 0.00 175.22 176.48 1k6m n ASP 221 N 3.12 -5.75 -4.15 1.36 8.00 -0.50 -0.90 116.55 117.73 1k6m n ASP 221 Ca -0.18 -0.80 -0.29 0.00 0.71 0.00 0.00 54.79 54.22 1k6m n ASP 221 Cb 0.53 -3.37 -0.06 0.00 -0.02 0.00 0.00 41.12 38.20 1k6m n ASP 221 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k6m n VAL 222 N -3.29 -2.00 -0.76 2.53 0.31 -1.26 -2.06 118.33 111.79 1k6m n VAL 222 Ca -0.13 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1k6m n VAL 222 Cb 0.60 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1k6m n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k6m n GLY 223 N -2.31 0.57 0.18 2.92 0.00 -1.01 -4.88 105.19 100.67 1k6m n GLY 223 Ca -0.31 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1k6m n GLY 223 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k6m h THR 224 N 0.00 1.30 -3.96 2.61 2.02 -0.43 -3.46 112.91 110.99 1k6m h THR 224 Ca 0.00 -2.34 -0.33 0.00 0.77 0.00 0.00 66.41 64.51 1k6m h THR 224 Cb 0.00 2.47 -0.22 0.00 -1.74 0.00 0.00 68.15 68.66 1k6m h THR 224 CO 0.00 0.72 -0.75 -0.60 0.37 0.00 0.00 175.52 175.26 1k6m s ARG 225 N -3.22 0.63 0.00 6.66 3.52 -1.15 -5.03 118.95 120.37 1k6m s ARG 225 Ca -0.09 -0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 1k6m s ARG 225 Cb 0.07 -0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 32.96 1k6m s ARG 225 CO 0.92 0.10 0.06 0.71 -0.81 0.00 0.00 175.30 176.29 1k6m s TYR 226 N -1.26 0.09 -0.10 5.12 1.51 -1.26 -1.09 117.35 120.37 1k6m s TYR 226 Ca -0.06 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1k6m s TYR 226 Cb -0.09 -0.08 0.01 0.00 -0.11 0.00 0.00 41.96 41.69 1k6m s TYR 226 CO 0.01 -0.20 -0.14 1.41 -1.11 0.00 0.00 175.55 175.52 1k6m s MET 227 N -1.11 2.00 -0.13 -0.62 1.75 -0.37 -4.96 119.30 115.87 1k6m s MET 227 Ca -0.12 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 53.85 1k6m s MET 227 Cb -0.07 -1.72 0.00 0.00 2.84 0.00 0.00 34.83 35.89 1k6m s MET 227 CO 0.00 -0.05 -0.20 0.08 -0.65 0.00 0.00 175.02 174.20 1k6m s VAL 228 N 0.96 2.31 -0.10 10.11 1.01 -1.26 -0.36 120.40 133.07 1k6m s VAL 228 Ca -0.08 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1k6m s VAL 228 Cb -0.15 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1k6m s VAL 228 CO -0.00 0.54 -0.14 0.21 0.00 0.00 0.00 175.10 175.71 1k6m s ASN 229 N 0.64 2.25 -1.24 3.32 2.47 0.10 -4.90 114.94 117.57 1k6m s ASN 229 Ca -0.10 -0.38 -0.04 0.00 0.42 0.00 0.00 52.86 52.76 1k6m s ASN 229 Cb -0.16 -1.00 -0.01 0.00 -1.45 0.00 0.00 41.25 38.63 1k6m s ASN 229 CO 0.02 0.01 0.77 0.54 -3.72 0.00 0.00 177.10 174.72 1k6m n ARG 230 N 4.17 -4.26 -1.84 0.43 1.74 -1.26 -0.76 116.66 114.87 1k6m n ARG 230 Ca -0.19 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 1k6m n ARG 230 Cb 0.51 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 1k6m n ARG 230 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k6m s VAL 231 N -3.57 3.26 -0.15 1.55 1.01 -1.26 -4.56 120.40 116.68 1k6m s VAL 231 Ca 0.12 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 1k6m s VAL 231 Cb -0.03 -3.23 -0.19 0.00 0.00 0.00 0.00 36.38 32.92 1k6m s VAL 231 CO 0.80 -0.03 0.48 1.56 0.00 0.00 0.00 175.10 177.91 1k6m h GLN 232 N 9.91 0.00 0.00 2.72 4.20 -1.94 -3.48 115.11 126.52 1k6m h GLN 232 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1k6m h GLN 232 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1k6m h GLN 232 CO 0.95 0.80 0.00 -0.40 -0.67 0.00 0.00 178.83 179.50 1k6m n ASP 233 N -4.60 0.25 0.06 1.46 5.68 -1.26 -5.02 116.55 113.13 1k6m n ASP 233 Ca -0.13 -0.99 -0.09 0.00 -0.50 0.00 0.00 54.79 53.07 1k6m n ASP 233 Cb 0.44 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 1k6m n ASP 233 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1k6m h HIS 234 N 0.99 -0.83 -1.00 2.11 -0.00 -1.98 0.24 115.15 114.69 1k6m h HIS 234 Ca 0.00 0.02 0.30 0.00 -0.00 0.00 0.00 60.37 60.70 1k6m h HIS 234 Cb 0.00 0.35 -0.14 0.00 -0.00 0.00 0.00 27.41 27.62 1k6m h HIS 234 CO 0.00 -0.32 0.56 0.97 -0.00 0.00 0.00 177.93 179.14 1k6m h ILE 235 N -0.41 0.34 -0.08 6.26 6.09 -1.98 0.43 117.51 128.17 1k6m h ILE 235 Ca -0.00 -0.13 -0.17 0.00 -1.37 0.00 0.00 64.86 63.19 1k6m h ILE 235 Cb 0.41 -0.06 0.01 0.00 0.47 0.00 0.00 36.82 37.65 1k6m h ILE 235 CO -0.15 0.07 -0.60 1.56 -3.07 0.00 0.00 178.15 175.95 1k6m h GLN 236 N 0.36 0.54 -0.61 2.19 4.20 -1.78 -0.95 115.11 119.07 1k6m h GLN 236 Ca 0.71 -0.48 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1k6m h GLN 236 Cb 1.57 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.43 1k6m h GLN 236 CO -0.59 1.11 0.40 1.03 -0.67 0.00 0.00 178.83 180.12 1k6m h SER 237 N 0.14 0.69 0.14 1.46 0.87 0.20 -1.56 113.55 115.48 1k6m h SER 237 Ca -0.05 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1k6m h SER 237 Cb 1.26 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1k6m h SER 237 CO 0.12 0.49 -0.07 0.03 -0.53 0.00 0.00 176.83 176.88 1k6m h ARG 238 N 0.81 -0.18 -0.95 2.24 2.47 -0.15 -2.62 114.38 116.00 1k6m h ARG 238 Ca 0.22 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.00 1k6m h ARG 238 Cb -0.07 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.23 1k6m h ARG 238 CO -0.05 0.10 0.62 1.15 0.56 0.00 0.00 179.97 182.35 1k6m h THR 239 N -0.44 1.15 0.83 2.04 2.02 -0.78 -2.11 112.91 115.62 1k6m h THR 239 Ca -0.02 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1k6m h THR 239 Cb 0.35 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1k6m h THR 239 CO 0.03 0.22 -0.40 0.58 0.37 0.00 0.00 175.52 176.32 1k6m h VAL 240 N 1.20 0.00 -0.76 3.16 2.07 -1.30 -0.73 116.25 119.89 1k6m h VAL 240 Ca 0.38 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.88 1k6m h VAL 240 Cb 0.02 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 29.65 1k6m h VAL 240 CO -0.13 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.51 1k6m h TYR 241 N -1.30 -0.38 0.09 1.57 3.20 -1.33 0.48 116.97 119.29 1k6m h TYR 241 Ca -0.11 0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.84 1k6m h TYR 241 Cb 0.86 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 1k6m h TYR 241 CO -0.00 -0.32 -0.24 -0.92 -1.64 0.00 0.00 178.16 175.04 1k6m h TYR 242 N 0.01 -0.63 -0.95 -3.82 3.20 -1.34 -2.71 116.97 110.73 1k6m h TYR 242 Ca 0.37 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.32 1k6m h TYR 242 Cb 0.57 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 1k6m h TYR 242 CO -0.59 -0.33 0.61 -0.07 -1.64 0.00 0.00 178.16 176.13 1k6m h LEU 243 N -0.42 0.96 -0.19 2.82 3.38 0.47 0.29 115.31 122.62 1k6m h LEU 243 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1k6m h LEU 243 Cb 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1k6m h LEU 243 CO -0.15 0.61 0.00 0.23 0.09 0.00 0.00 178.44 179.21 1k6m n MET 244 N -4.55 0.97 0.00 1.13 2.81 -0.01 -3.45 117.12 114.02 1k6m n MET 244 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1k6m n MET 244 Cb 0.19 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1k6m n MET 244 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1k6m n ASN 245 N -0.40 0.57 -4.94 7.83 3.02 0.07 -5.05 115.26 116.36 1k6m n ASN 245 Ca 0.00 -1.09 -0.20 0.00 -0.03 0.00 0.00 54.58 53.27 1k6m n ASN 245 Cb 0.05 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1k6m n ASN 245 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1k6m s ILE 246 N -0.09 3.81 0.25 2.41 -4.36 -1.07 -3.47 121.20 118.68 1k6m s ILE 246 Ca 0.00 -1.14 -0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1k6m s ILE 246 Cb 0.00 -3.31 0.02 0.00 1.25 0.00 0.00 42.46 40.42 1k6m s ILE 246 CO 0.00 -0.15 0.39 0.00 0.24 0.00 0.00 174.94 175.42 1k6m n HIS 247 N -1.55 -1.37 -1.79 1.37 1.44 -1.26 -4.98 115.22 107.08 1k6m n HIS 247 Ca -0.00 -1.48 0.06 0.00 -2.01 0.00 0.00 57.72 54.28 1k6m n HIS 247 Cb 0.59 0.45 0.13 0.00 0.12 0.00 0.00 29.99 31.28 1k6m n HIS 247 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1k6m n VAL 248 N -0.38 1.37 -2.60 0.61 0.24 -1.26 -5.03 118.33 111.28 1k6m n VAL 248 Ca -0.02 -2.20 -0.43 0.00 -2.04 0.00 0.00 64.34 59.66 1k6m n VAL 248 Cb 0.40 0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.90 1k6m n VAL 248 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1k6m s THR 249 N -2.03 4.59 0.27 3.34 2.01 -1.26 -4.98 115.64 117.58 1k6m s THR 249 Ca 0.32 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 63.93 1k6m s THR 249 Cb 0.33 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.48 1k6m s THR 249 CO -0.07 -0.14 1.51 -2.65 -0.69 0.00 0.00 174.62 172.57 1k6m n PRO 250 N 6.18 2.40 -3.85 4.92 -0.02 -1.26 -4.96 135.00 138.41 1k6m n PRO 250 Ca 0.12 0.85 -0.05 0.00 -2.02 0.00 0.00 63.50 62.41 1k6m n PRO 250 Cb 0.46 -2.58 0.01 0.00 -0.02 0.00 0.00 33.50 31.38 1k6m n PRO 250 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1k6m s ARG 251 N -0.50 1.53 0.08 -0.52 1.04 -1.26 -4.91 118.95 114.42 1k6m s ARG 251 Ca 0.66 -0.97 0.07 0.00 -1.04 0.00 0.00 55.73 54.44 1k6m s ARG 251 Cb -0.56 0.44 -0.03 0.00 -2.04 0.00 0.00 34.95 32.75 1k6m s ARG 251 CO 0.49 -0.72 -0.17 -1.12 -0.04 0.00 0.00 175.30 173.74 1k6m s SER 252 N -3.26 2.08 -0.19 -2.89 0.01 -1.26 -4.19 113.70 104.00 1k6m s SER 252 Ca 0.19 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1k6m s SER 252 Cb -0.03 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1k6m s SER 252 CO 0.06 -0.00 -0.18 -0.63 0.41 0.00 0.00 173.24 172.90 1k6m s ILE 253 N -1.18 2.02 -0.24 1.44 1.01 0.03 -2.59 121.20 121.70 1k6m s ILE 253 Ca 0.02 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 1k6m s ILE 253 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1k6m s ILE 253 CO 0.03 0.47 0.10 -0.31 0.00 0.00 0.00 174.94 175.23 1k6m s TYR 254 N 1.29 3.16 -0.07 3.97 1.51 -0.57 0.11 117.35 126.76 1k6m s TYR 254 Ca 0.03 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 1k6m s TYR 254 Cb -0.14 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.47 1k6m s TYR 254 CO -0.12 -0.16 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.44 1k6m s LEU 255 N 1.29 2.34 0.18 -1.29 1.43 -0.16 -0.44 118.68 122.04 1k6m s LEU 255 Ca 0.05 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1k6m s LEU 255 Cb -0.15 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.68 1k6m s LEU 255 CO 0.05 0.26 0.67 0.00 0.23 0.00 0.00 176.35 177.55 1k6m s ARG 257 N -3.73 2.57 1.02 0.00 0.52 -1.26 -0.20 118.95 117.87 1k6m s ARG 257 Ca 0.04 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 1k6m s ARG 257 Cb -0.02 -2.49 0.20 0.00 0.52 0.00 0.00 34.95 33.16 1k6m s ARG 257 CO -0.07 -0.69 1.08 -3.38 0.02 0.00 0.00 175.30 172.26 1k6m s HIS 258 N -2.75 1.76 0.84 -0.53 -3.43 -0.96 -4.65 115.29 105.57 1k6m s HIS 258 Ca 0.57 1.31 -0.11 0.00 -0.80 0.00 0.00 55.06 56.03 1k6m s HIS 258 Cb -0.10 -3.18 0.10 0.00 -1.43 0.00 0.00 32.58 27.97 1k6m s HIS 258 CO 0.38 -3.13 1.10 0.20 -2.00 0.00 0.00 174.74 171.30 1k6m s GLY 259 N -2.91 1.66 0.06 -1.38 0.00 -1.26 -4.64 107.32 98.85 1k6m s GLY 259 Ca 0.66 0.25 -0.38 0.00 0.00 0.00 0.00 44.72 45.25 1k6m s GLY 259 CO 0.60 0.65 1.20 -2.21 0.00 0.00 0.00 173.10 173.34 1k6m n GLU 260 N -3.81 0.65 -3.62 2.90 2.13 -1.26 -4.75 120.64 112.88 1k6m n GLU 260 Ca 0.09 0.23 -0.20 0.00 0.66 0.00 0.00 57.16 57.94 1k6m n GLU 260 Cb 0.53 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 1k6m n GLU 260 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1k6m s SER 261 N 0.22 5.66 0.30 4.31 1.04 -1.26 0.07 113.70 124.03 1k6m s SER 261 Ca 0.86 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 1k6m s SER 261 Cb -1.08 -1.11 0.46 0.00 0.10 0.00 0.00 66.02 64.40 1k6m s SER 261 CO 0.52 -0.40 1.97 -0.33 0.98 0.00 0.00 173.24 175.98 1k6m h GLU 262 N 1.05 1.06 0.00 4.02 4.39 -1.16 0.10 114.58 124.04 1k6m h GLU 262 Ca -0.45 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1k6m h GLU 262 Cb 1.26 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1k6m h GLU 262 CO 0.55 0.70 -0.03 -0.07 -1.16 0.00 0.00 179.01 179.01 1k6m h LEU 263 N 1.09 0.00 -0.16 1.33 3.38 -1.88 -2.76 115.31 116.32 1k6m h LEU 263 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1k6m h LEU 263 Cb -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1k6m h LEU 263 CO -0.06 0.03 -0.07 0.78 0.09 0.00 0.00 178.44 179.21 1k6m h ASN 264 N 0.00 0.33 0.18 -0.43 -0.26 -1.06 -1.11 115.58 113.22 1k6m h ASN 264 Ca -0.00 -0.41 -0.03 0.00 -0.56 0.00 0.00 56.30 55.30 1k6m h ASN 264 Cb 0.79 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1k6m h ASN 264 CO 0.00 0.67 -0.14 0.40 -1.06 0.00 0.00 177.43 177.30 1k6m h ILE 265 N 0.00 0.99 -0.17 2.81 2.04 -1.05 -2.21 117.51 119.92 1k6m h ILE 265 Ca 0.04 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1k6m h ILE 265 Cb 0.54 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1k6m h ILE 265 CO 0.02 0.14 0.00 0.54 0.00 0.00 0.00 178.15 178.85 1k6m n ARG 266 N -4.21 1.82 -2.39 2.37 1.74 -1.05 -0.89 116.66 114.05 1k6m n ARG 266 Ca -0.02 -1.23 -0.15 0.00 -0.77 0.00 0.00 57.85 55.68 1k6m n ARG 266 Cb 0.22 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1k6m n ARG 266 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k6m n GLY 267 N 1.18 -0.23 3.50 -0.13 0.00 -0.83 -4.73 105.19 103.94 1k6m n GLY 267 Ca 0.17 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1k6m n GLY 267 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k6m s ARG 268 N -4.87 2.96 0.27 1.61 0.52 -0.45 -4.26 118.95 114.74 1k6m s ARG 268 Ca 0.04 -0.61 -0.13 0.00 -0.52 0.00 0.00 55.73 54.52 1k6m s ARG 268 Cb -0.02 -2.60 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 1k6m s ARG 268 CO 0.05 0.50 0.64 0.96 0.02 0.00 0.00 175.30 177.47 1k6m s ILE 269 N -0.37 4.79 0.00 1.52 -4.36 -0.09 -4.40 121.20 118.29 1k6m s ILE 269 Ca 0.05 0.75 0.00 0.00 -0.26 0.00 0.00 60.65 61.19 1k6m s ILE 269 Cb -0.12 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.95 1k6m s ILE 269 CO 0.02 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.72 1k6m n GLY 270 N -0.14 0.14 3.77 6.27 0.00 -1.26 0.52 105.19 114.49 1k6m n GLY 270 Ca 0.01 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.13 1k6m n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6m n GLY 271 N 0.00 -2.08 2.56 -0.02 0.00 -1.26 -4.69 105.19 99.71 1k6m n GLY 271 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 1k6m n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k6m n ASP 272 N -0.46 2.73 -4.79 1.61 2.03 -1.26 -5.03 116.55 111.37 1k6m n ASP 272 Ca 0.00 -3.19 -0.30 0.00 0.52 0.00 0.00 54.79 51.82 1k6m n ASP 272 Cb 0.04 -0.53 0.09 0.00 -0.72 0.00 0.00 41.12 40.01 1k6m n ASP 272 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1k6m s SER 273 N -3.18 4.41 0.56 1.67 1.04 -1.26 -4.73 113.70 112.21 1k6m s SER 273 Ca 0.38 1.35 0.02 0.00 0.48 0.00 0.00 55.95 58.18 1k6m s SER 273 Cb 0.40 -2.08 0.09 0.00 0.10 0.00 0.00 66.02 64.53 1k6m s SER 273 CO -0.07 -2.03 0.67 0.61 0.98 0.00 0.00 173.24 173.40 1k6m n GLY 274 N -1.97 1.10 3.78 7.32 0.00 -1.26 -3.74 105.19 110.42 1k6m n GLY 274 Ca 0.07 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1k6m n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k6m s LEU 275 N 0.00 3.82 0.00 0.99 1.43 -1.26 -0.70 118.68 122.96 1k6m s LEU 275 Ca 0.46 2.10 -0.06 0.00 -1.03 0.00 0.00 54.13 55.60 1k6m s LEU 275 Cb -0.03 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.77 1k6m s LEU 275 CO 0.30 -1.01 0.70 -1.54 0.23 0.00 0.00 176.35 175.03 1k6m n SER 276 N -1.07 0.35 -0.19 2.29 3.41 0.11 -4.59 113.62 113.94 1k6m n SER 276 Ca 0.10 -1.44 -0.09 0.00 -0.26 0.00 0.00 58.87 57.18 1k6m n SER 276 Cb 0.51 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1k6m n SER 276 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1k6m h VAL 277 N -1.08 1.26 -0.46 -3.33 2.07 -1.97 -0.18 116.25 112.56 1k6m h VAL 277 Ca -0.23 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 1k6m h VAL 277 Cb 0.70 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1k6m h VAL 277 CO 0.19 0.38 -0.01 0.03 0.02 0.00 0.00 177.57 178.18 1k6m h ARG 278 N 0.81 0.76 -0.53 1.57 3.08 -1.90 0.07 114.38 118.24 1k6m h ARG 278 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1k6m h ARG 278 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1k6m h ARG 278 CO 0.02 0.78 0.28 0.78 -1.07 0.00 0.00 179.97 180.76 1k6m h GLY 279 N 0.96 0.81 1.91 0.04 0.00 -1.49 0.63 103.07 105.94 1k6m h GLY 279 Ca 0.14 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1k6m h GLY 279 CO 0.02 0.36 -0.33 0.50 0.00 0.00 0.00 176.54 177.09 1k6m h LYS 280 N 0.72 0.11 -0.17 4.80 1.57 -0.47 -1.54 116.57 121.57 1k6m h LYS 280 Ca 0.19 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1k6m h LYS 280 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1k6m h LYS 280 CO -0.03 0.43 -0.45 0.37 -0.57 0.00 0.00 179.45 179.20 1k6m h GLN 281 N 0.09 0.61 -0.75 3.15 4.15 -0.21 -3.19 115.11 118.96 1k6m h GLN 281 Ca 0.01 -0.43 -0.01 0.00 0.77 0.00 0.00 58.65 58.99 1k6m h GLN 281 Cb 0.64 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1k6m h GLN 281 CO 0.05 1.04 0.41 -0.92 -1.93 0.00 0.00 178.83 177.48 1k6m h TYR 282 N 0.27 1.02 -1.00 3.99 3.20 -0.58 -2.09 116.97 121.79 1k6m h TYR 282 Ca -0.01 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.12 1k6m h TYR 282 Cb 1.07 -0.33 -0.14 0.00 1.54 0.00 0.00 36.73 38.87 1k6m h TYR 282 CO 0.10 0.72 0.59 0.00 -1.64 0.00 0.00 178.16 177.92 1k6m h ALA 283 N 1.21 1.87 0.00 1.82 0.00 -1.27 0.32 119.26 123.21 1k6m h ALA 283 Ca 0.26 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1k6m h ALA 283 Cb 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1k6m h ALA 283 CO -0.04 -0.40 -0.81 1.88 0.00 0.00 0.00 179.25 179.88 1k6m h TYR 284 N 0.47 0.00 -0.18 0.00 -1.99 -1.51 -2.37 116.97 111.39 1k6m h TYR 284 Ca 0.68 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 61.25 1k6m h TYR 284 Cb 1.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.15 1k6m h TYR 284 CO -0.01 0.45 -0.55 0.00 -0.00 0.00 0.00 178.16 178.05 1k6m h ALA 285 N 1.55 0.70 0.31 3.88 0.00 -0.18 -1.68 119.26 123.85 1k6m h ALA 285 Ca -0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1k6m h ALA 285 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1k6m h ALA 285 CO 0.05 0.69 -0.15 1.25 0.00 0.00 0.00 179.25 181.09 1k6m h LEU 286 N 0.42 -0.36 -1.33 0.00 5.85 -0.51 0.18 115.31 119.56 1k6m h LEU 286 Ca 0.01 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.73 1k6m h LEU 286 Cb 1.09 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1k6m h LEU 286 CO 0.10 -0.12 0.53 0.00 -0.34 0.00 0.00 178.44 178.61 1k6m h ALA 287 N 0.04 1.75 -0.35 1.25 0.00 -1.37 0.29 119.26 120.87 1k6m h ALA 287 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1k6m h ALA 287 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1k6m h ALA 287 CO 0.07 0.08 0.17 -0.97 0.00 0.00 0.00 179.25 178.59 1k6m h ASN 288 N 0.74 0.47 0.27 0.00 -1.24 -0.87 -0.76 115.58 114.19 1k6m h ASN 288 Ca 0.37 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 1k6m h ASN 288 Cb 0.46 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1k6m h ASN 288 CO -0.15 0.47 -0.13 0.15 -1.29 0.00 0.00 177.43 176.48 1k6m h PHE 289 N 0.43 -0.33 -0.51 0.67 3.57 0.73 -0.72 116.94 120.79 1k6m h PHE 289 Ca 0.12 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.71 1k6m h PHE 289 Cb 0.13 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 1k6m h PHE 289 CO -0.01 -0.13 0.03 0.82 -2.23 0.00 0.00 178.31 176.79 1k6m h ILE 290 N -0.47 0.64 -0.55 1.41 1.08 -0.44 0.99 117.51 120.17 1k6m h ILE 290 Ca -0.04 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1k6m h ILE 290 Cb 0.35 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1k6m h ILE 290 CO 0.06 0.03 0.26 1.56 -0.69 0.00 0.00 178.15 179.37 1k6m h GLN 291 N 0.15 0.77 0.00 2.37 4.20 -0.90 -1.49 115.11 120.21 1k6m h GLN 291 Ca 0.26 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1k6m h GLN 291 Cb 0.38 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1k6m h GLN 291 CO -0.39 0.60 -0.10 0.66 -0.67 0.00 0.00 178.83 178.92 1k6m h SER 292 N 0.77 0.00 1.42 1.46 4.64 0.70 -2.68 113.55 119.86 1k6m h SER 292 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1k6m h SER 292 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1k6m h SER 292 CO -0.03 0.10 0.00 1.56 -0.87 0.00 0.00 176.83 177.60 1k6m h GLN 293 N 0.00 0.00 -6.00 4.77 1.08 -0.11 -3.47 115.11 111.38 1k6m h GLN 293 Ca -0.00 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.81 1k6m h GLN 293 Cb 0.44 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.96 1k6m h GLN 293 CO 0.01 0.00 -0.85 0.41 -0.95 0.00 0.00 178.83 177.45 1k6m n GLY 294 N 0.70 -0.55 3.74 3.46 0.00 -1.01 -4.94 105.19 106.59 1k6m n GLY 294 Ca 0.03 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1k6m n GLY 294 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6m s ILE 295 N -3.58 4.42 0.20 -0.61 1.01 -1.26 -5.04 121.20 116.33 1k6m s ILE 295 Ca 0.16 2.00 -0.27 0.00 0.00 0.00 0.00 60.65 62.54 1k6m s ILE 295 Cb -0.04 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 1k6m s ILE 295 CO 0.81 0.38 0.83 -0.94 0.00 0.00 0.00 174.94 176.02 1k6m s SER 296 N -0.36 7.47 0.00 3.58 1.04 -1.26 -4.49 113.70 119.68 1k6m s SER 296 Ca 0.44 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1k6m s SER 296 Cb -0.24 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1k6m s SER 296 CO 0.29 0.18 0.00 -1.54 0.98 0.00 0.00 173.24 173.16 1k6m n SER 297 N 1.52 0.00 -4.76 7.02 3.41 -1.26 -4.70 113.62 114.84 1k6m n SER 297 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 1k6m n SER 297 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1k6m n SER 297 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1k6m s LEU 298 N 0.00 4.39 -0.11 1.04 2.96 -1.26 -4.49 118.68 121.21 1k6m s LEU 298 Ca 0.00 1.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.91 1k6m s LEU 298 Cb 0.00 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1k6m s LEU 298 CO 0.00 0.11 0.13 -0.75 -1.32 0.00 0.00 176.35 174.51 1k6m s LYS 299 N -0.12 3.38 -0.10 1.98 2.36 -0.52 -4.96 119.74 121.75 1k6m s LYS 299 Ca 0.29 -0.18 0.03 0.00 -2.55 0.00 0.00 55.97 53.56 1k6m s LYS 299 Cb -0.17 -3.13 0.01 0.00 -1.05 0.00 0.00 37.83 33.48 1k6m s LYS 299 CO 0.15 0.76 -0.19 0.08 1.55 0.00 0.00 175.35 177.71 1k6m s VAL 300 N -1.04 1.69 -0.03 4.02 1.01 -1.26 0.07 120.40 124.86 1k6m s VAL 300 Ca 0.16 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1k6m s VAL 300 Cb -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1k6m s VAL 300 CO 0.05 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 175.06 1k6m s PHE 301 N 0.67 2.49 0.34 5.22 2.99 -0.53 0.18 117.98 129.35 1k6m s PHE 301 Ca -0.13 -0.34 0.04 0.00 0.00 0.00 0.00 56.93 56.50 1k6m s PHE 301 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 43.02 41.26 1k6m s PHE 301 CO 0.03 0.04 0.15 0.95 -0.00 0.00 0.00 175.22 176.39 1k6m s THR 302 N -0.63 0.48 0.00 0.64 -4.23 0.02 -1.10 115.64 110.82 1k6m s THR 302 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1k6m s THR 302 Cb -0.10 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1k6m s THR 302 CO -0.00 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.54 1k6m n SER 303 N -1.06 0.00 -0.84 3.99 3.41 -1.25 -0.48 113.62 117.39 1k6m n SER 303 Ca -0.01 -0.96 0.12 0.00 -0.26 0.00 0.00 58.87 57.77 1k6m n SER 303 Cb 0.65 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.83 1k6m n SER 303 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k6m n ARG 304 N -0.96 2.15 -2.83 4.33 1.74 -1.25 -4.20 116.66 115.65 1k6m n ARG 304 Ca 0.00 -1.68 -0.40 0.00 -0.77 0.00 0.00 57.85 55.00 1k6m n ARG 304 Cb 0.00 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 1k6m n ARG 304 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1k6m s MET 305 N -1.96 4.66 0.29 5.56 -1.94 -1.26 -4.96 119.30 119.68 1k6m s MET 305 Ca 0.32 1.32 -0.00 0.00 -1.71 0.00 0.00 55.69 55.62 1k6m s MET 305 Cb 0.20 -3.34 0.66 0.00 2.01 0.00 0.00 34.83 34.37 1k6m s MET 305 CO 0.31 0.33 1.62 -0.22 -0.01 0.00 0.00 175.02 177.05 1k6m h LYS 306 N 5.18 0.10 -0.65 2.03 3.64 -1.85 -2.37 116.57 122.65 1k6m h LYS 306 Ca -0.44 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1k6m h LYS 306 Cb 1.21 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1k6m h LYS 306 CO 0.70 0.07 0.35 0.07 -2.27 0.00 0.00 179.45 178.37 1k6m h ARG 307 N 0.11 0.90 -0.02 1.90 0.11 -1.88 0.79 114.38 116.28 1k6m h ARG 307 Ca 0.54 -0.10 -0.20 0.00 0.10 0.00 0.00 59.98 60.32 1k6m h ARG 307 Cb 1.07 -0.18 0.02 0.00 1.11 0.00 0.00 29.97 31.99 1k6m h ARG 307 CO -0.75 0.67 -0.78 1.79 0.10 0.00 0.00 179.97 181.00 1k6m h THR 308 N 0.91 1.35 -0.09 0.08 1.35 -1.76 -2.69 112.91 112.05 1k6m h THR 308 Ca 0.23 -2.11 0.01 0.00 -0.55 0.00 0.00 66.41 63.99 1k6m h THR 308 Cb 0.04 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 1k6m h THR 308 CO -0.04 0.64 0.03 0.40 -0.25 0.00 0.00 175.52 176.29 1k6m h ILE 309 N 0.16 0.97 -0.67 6.82 2.04 -1.11 -0.63 117.51 125.09 1k6m h ILE 309 Ca -0.09 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1k6m h ILE 309 Cb 1.45 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1k6m h ILE 309 CO 0.15 0.01 0.35 1.56 0.00 0.00 0.00 178.15 180.22 1k6m h GLN 310 N 0.07 0.61 -0.66 2.37 4.20 -0.92 -0.84 115.11 119.94 1k6m h GLN 310 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1k6m h GLN 310 Cb 0.03 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1k6m h GLN 310 CO -0.05 0.40 0.32 1.15 -0.67 0.00 0.00 178.83 179.99 1k6m h THR 311 N 0.62 1.21 -0.76 -0.54 2.02 -1.07 -2.61 112.91 111.78 1k6m h THR 311 Ca 0.32 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1k6m h THR 311 Cb 0.27 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1k6m h THR 311 CO -0.22 0.24 0.26 0.00 0.37 0.00 0.00 175.52 176.17 1k6m h ALA 312 N 1.43 1.02 -0.74 6.16 0.00 0.22 -2.77 119.26 124.59 1k6m h ALA 312 Ca 0.23 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1k6m h ALA 312 Cb 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1k6m h ALA 312 CO -0.03 0.67 0.50 0.93 0.00 0.00 0.00 179.25 181.32 1k6m h GLU 313 N 1.12 0.34 0.00 0.00 4.39 -0.89 -1.12 114.58 118.42 1k6m h GLU 313 Ca 0.25 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1k6m h GLU 313 Cb 0.28 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1k6m h GLU 313 CO -0.01 0.23 -0.01 0.00 -1.16 0.00 0.00 179.01 178.06 1k6m h ALA 314 N 1.65 1.08 0.00 3.43 0.00 -1.49 -2.82 119.26 121.10 1k6m h ALA 314 Ca 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1k6m h ALA 314 Cb 0.91 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1k6m h ALA 314 CO -0.11 0.01 -0.32 -0.07 0.00 0.00 0.00 179.25 178.76 1k6m h LEU 315 N 0.00 0.00 1.65 0.00 3.38 -1.35 -3.46 115.31 115.53 1k6m h LEU 315 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1k6m h LEU 315 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1k6m h LEU 315 CO 0.00 0.20 -0.33 0.61 0.09 0.00 0.00 178.44 179.02 1k6m n GLY 316 N 1.16 0.17 3.14 0.83 0.00 -1.07 -5.01 105.19 104.42 1k6m n GLY 316 Ca 0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1k6m n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k6m s VAL 317 N -2.64 0.78 0.68 1.61 -7.23 -1.26 -5.13 120.40 107.22 1k6m s VAL 317 Ca 0.00 -1.53 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 1k6m s VAL 317 Cb 0.00 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.75 1k6m s VAL 317 CO 0.00 -0.56 1.17 -2.84 -0.31 0.00 0.00 175.10 172.56 1k6m s PRO 318 N -2.62 2.51 0.22 4.82 0.02 -1.26 -4.95 135.00 133.74 1k6m s PRO 318 Ca 0.02 1.62 -0.08 0.00 0.02 0.00 0.00 61.00 62.59 1k6m s PRO 318 Cb -0.04 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1k6m s PRO 318 CO -0.01 -1.52 0.32 1.52 -0.33 0.00 0.00 177.00 176.97 1k6m s TYR 319 N -2.07 0.66 -0.04 6.54 -0.85 -1.26 -4.45 117.35 115.88 1k6m s TYR 319 Ca 0.72 -0.98 0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1k6m s TYR 319 Cb -0.26 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 41.95 1k6m s TYR 319 CO 0.42 -0.82 -0.18 -2.00 -1.52 0.00 0.00 175.55 171.45 1k6m s GLU 320 N -4.06 1.88 -0.04 -3.49 2.12 0.13 -5.00 118.70 110.25 1k6m s GLU 320 Ca 0.28 -0.66 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 1k6m s GLU 320 Cb 0.03 -1.64 -0.05 0.00 0.26 0.00 0.00 34.13 32.73 1k6m s GLU 320 CO 0.09 0.27 0.36 -0.65 -0.54 0.00 0.00 175.26 174.79 1k6m s GLN 321 N -0.02 3.89 -0.16 4.30 -0.21 -1.26 -0.80 119.66 125.40 1k6m s GLN 321 Ca -0.03 0.31 -0.00 0.00 0.02 0.00 0.00 55.36 55.65 1k6m s GLN 321 Cb -0.12 -3.24 0.04 0.00 1.00 0.00 0.00 33.01 30.69 1k6m s GLN 321 CO 0.02 0.65 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.72 1k6m s PHE 322 N -0.87 1.67 0.54 0.91 2.99 0.37 -4.92 117.98 118.66 1k6m s PHE 322 Ca 0.22 -1.03 0.23 0.00 0.00 0.00 0.00 56.93 56.35 1k6m s PHE 322 Cb -0.16 -1.30 1.40 0.00 0.00 0.00 0.00 43.02 42.96 1k6m s PHE 322 CO 0.11 -0.60 2.05 -0.22 -0.00 0.00 0.00 175.22 176.56 1k6m h LYS 323 N 8.13 0.00 0.00 0.44 1.63 -1.89 -0.23 116.57 124.64 1k6m h LYS 323 Ca -0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1k6m h LYS 323 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1k6m h LYS 323 CO 0.40 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.40 1k6m n ALA 324 N -2.57 2.00 1.14 5.00 0.00 -1.26 -2.49 120.51 122.32 1k6m n ALA 324 Ca 0.05 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1k6m n ALA 324 Cb 0.44 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.77 1k6m n ALA 324 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k6m n LEU 325 N -1.35 1.70 -4.48 0.00 4.77 -0.10 -4.66 117.00 112.89 1k6m n LEU 325 Ca 0.08 -0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 55.12 1k6m n LEU 325 Cb 0.18 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1k6m n LEU 325 CO 0.16 0.31 0.10 0.59 -1.33 0.00 0.00 177.39 177.22 1k6m n ASN 326 N -0.10 -1.07 -4.76 -1.43 4.13 -1.04 -4.62 115.26 106.37 1k6m n ASN 326 Ca 0.12 0.60 -0.34 0.00 1.68 0.00 0.00 54.58 56.64 1k6m n ASN 326 Cb 0.43 -1.23 0.05 0.00 -1.54 0.00 0.00 39.78 37.49 1k6m n ASN 326 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1k6m s GLU 327 N -2.80 2.70 0.58 3.52 2.56 -1.26 -4.86 118.70 119.14 1k6m s GLU 327 Ca 0.66 1.53 -0.18 0.00 0.00 0.00 0.00 54.97 56.99 1k6m s GLU 327 Cb -0.35 -1.93 -0.10 0.00 2.00 0.00 0.00 34.13 33.75 1k6m s GLU 327 CO 0.57 -1.35 0.28 1.51 -0.56 0.00 0.00 175.26 175.72 1k6m n ILE 328 N -2.32 1.44 -3.68 -3.70 3.06 -1.26 -4.92 119.36 107.98 1k6m n ILE 328 Ca 0.11 -0.49 -0.37 0.00 -2.50 0.00 0.00 62.75 59.51 1k6m n ILE 328 Cb 0.51 -0.46 -0.11 0.00 0.54 0.00 0.00 39.64 40.12 1k6m n ILE 328 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1k6m s ASP 329 N -1.15 5.70 0.00 9.51 3.68 -1.26 -4.91 116.67 128.23 1k6m s ASP 329 Ca 0.64 -0.06 0.11 0.00 2.13 0.00 0.00 52.55 55.37 1k6m s ASP 329 Cb -0.44 -2.04 0.48 0.00 -1.45 0.00 0.00 42.92 39.46 1k6m s ASP 329 CO 0.59 -0.02 1.34 0.00 0.13 0.00 0.00 175.17 177.21 1k6m n ALA 330 N 4.83 2.51 -0.82 3.66 0.00 -1.26 -0.54 120.51 128.90 1k6m n ALA 330 Ca -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1k6m n ALA 330 Cb 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1k6m n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k6m n GLY 331 N 0.83 3.89 0.16 0.00 0.00 -1.25 -1.44 105.19 107.38 1k6m n GLY 331 Ca 0.09 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1k6m n GLY 331 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k6m h VAL 332 N 0.00 0.00 -0.65 1.61 -1.51 -1.05 -2.28 116.25 112.37 1k6m h VAL 332 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1k6m h VAL 332 Cb 0.00 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1k6m h VAL 332 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1k6m n GLU 334 N 1.32 2.45 -0.84 0.00 -0.58 -0.86 -1.65 120.64 120.48 1k6m n GLU 334 Ca 0.23 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 1k6m n GLU 334 Cb 0.68 -2.68 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1k6m n GLU 334 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1k6m n GLU 335 N 3.55 -0.20 -1.95 3.49 1.02 0.19 -4.94 120.64 121.79 1k6m n GLU 335 Ca 0.16 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 1k6m n GLU 335 Cb 0.32 -3.45 0.16 0.00 -0.02 0.00 0.00 31.44 28.45 1k6m n GLU 335 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1k6m s MET 336 N -0.51 0.99 0.26 3.49 -1.94 -0.66 -4.47 119.30 116.46 1k6m s MET 336 Ca 0.00 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 53.74 1k6m s MET 336 Cb 0.00 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 1k6m s MET 336 CO 0.00 -2.19 0.16 0.95 -0.01 0.00 0.00 175.02 173.94 1k6m s THR 337 N -3.79 4.13 0.53 2.05 -4.23 -1.26 -0.91 115.64 112.16 1k6m s THR 337 Ca 0.71 -1.51 0.18 0.00 -1.18 0.00 0.00 61.69 59.89 1k6m s THR 337 Cb -0.06 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.80 1k6m s THR 337 CO 0.52 -0.34 2.16 1.88 -0.54 0.00 0.00 174.62 178.30 1k6m h TYR 338 N 1.55 0.00 -0.04 3.99 -1.99 -1.99 -1.19 116.97 117.30 1k6m h TYR 338 Ca -0.47 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.25 1k6m h TYR 338 Cb 1.24 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.97 1k6m h TYR 338 CO 0.58 0.00 0.01 1.49 -0.00 0.00 0.00 178.16 180.24 1k6m h GLU 339 N 0.00 0.07 0.00 4.88 4.81 -1.94 0.00 114.58 122.41 1k6m h GLU 339 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1k6m h GLU 339 Cb 0.01 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1k6m h GLU 339 CO 0.00 0.29 -0.08 0.93 -0.73 0.00 0.00 179.01 179.42 1k6m h GLU 340 N -0.16 0.00 0.05 1.92 5.08 -1.65 0.59 114.58 120.41 1k6m h GLU 340 Ca 0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1k6m h GLU 340 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1k6m h GLU 340 CO 0.00 0.08 -0.58 0.82 -1.00 0.00 0.00 179.01 178.33 1k6m h ILE 341 N 0.00 1.50 -0.44 3.13 2.04 -0.88 -0.44 117.51 122.43 1k6m h ILE 341 Ca -0.00 -2.23 0.04 0.00 1.00 0.00 0.00 64.86 63.67 1k6m h ILE 341 Cb 0.21 2.87 -0.04 0.00 -0.74 0.00 0.00 36.82 39.12 1k6m h ILE 341 CO 0.01 0.63 0.21 -0.61 0.00 0.00 0.00 178.15 178.40 1k6m h GLN 342 N -0.31 0.42 -0.28 2.37 5.75 -0.39 0.43 115.11 123.11 1k6m h GLN 342 Ca -0.09 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1k6m h GLN 342 Cb 1.36 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 1k6m h GLN 342 CO 0.11 0.28 0.14 1.49 -2.65 0.00 0.00 178.83 178.20 1k6m h GLU 343 N 0.43 0.39 0.00 1.69 4.81 -0.89 -2.67 114.58 118.34 1k6m h GLU 343 Ca 0.19 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1k6m h GLU 343 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1k6m h GLU 343 CO -0.14 0.37 -1.33 0.72 -0.73 0.00 0.00 179.01 177.90 1k6m n HIS 344 N -4.81 0.89 -3.14 0.92 8.25 -0.18 -4.58 115.22 112.56 1k6m n HIS 344 Ca -0.02 0.28 -0.18 0.00 -0.26 0.00 0.00 57.72 57.54 1k6m n HIS 344 Cb 0.09 -1.00 -0.02 0.00 1.12 0.00 0.00 29.99 30.18 1k6m n HIS 344 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1k6m n TYR 345 N -2.76 -0.23 -0.09 4.41 4.02 0.15 -4.97 117.16 117.69 1k6m n TYR 345 Ca -0.06 -3.60 0.02 0.00 -0.01 0.00 0.00 57.90 54.25 1k6m n TYR 345 Cb 0.72 -0.20 0.34 0.00 -0.02 0.00 0.00 39.34 40.19 1k6m n TYR 345 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1k6m h PRO 346 N 3.16 0.72 -0.17 -0.72 0.13 -1.52 -0.61 132.00 132.99 1k6m h PRO 346 Ca 0.07 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 1k6m h PRO 346 Cb 0.97 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1k6m h PRO 346 CO 0.46 0.50 -0.46 0.93 -0.23 0.00 0.00 178.00 179.20 1k6m h GLU 347 N 0.74 0.62 0.59 0.86 5.08 -1.88 -2.31 114.58 118.26 1k6m h GLU 347 Ca 0.19 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1k6m h GLU 347 Cb -0.04 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1k6m h GLU 347 CO -0.04 1.05 -0.35 0.93 -1.00 0.00 0.00 179.01 179.60 1k6m h GLU 348 N 0.29 -0.85 -0.85 2.33 3.07 -1.92 -1.12 114.58 115.52 1k6m h GLU 348 Ca -0.01 0.06 0.18 0.00 -0.50 0.00 0.00 59.36 59.09 1k6m h GLU 348 Cb 1.07 0.19 -0.16 0.00 -0.84 0.00 0.00 28.75 29.02 1k6m h GLU 348 CO 0.10 -0.57 -0.16 0.35 -1.40 0.00 0.00 179.01 177.33 1k6m h PHE 349 N -0.88 -0.36 -0.33 4.33 -0.00 -1.10 0.17 116.94 118.77 1k6m h PHE 349 Ca -0.07 0.07 -0.17 0.00 -0.00 0.00 0.00 57.97 57.80 1k6m h PHE 349 Cb 0.71 0.29 -0.00 0.00 -0.00 0.00 0.00 35.95 36.95 1k6m h PHE 349 CO -0.09 -0.36 -0.46 0.00 -0.00 0.00 0.00 178.31 177.41 1k6m h ALA 350 N 1.84 0.50 -0.67 2.41 0.00 -1.22 -2.37 119.26 119.76 1k6m h ALA 350 Ca 0.43 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1k6m h ALA 350 Cb 0.69 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1k6m h ALA 350 CO -0.85 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 179.16 1k6m h LEU 351 N 0.70 0.99 -0.87 0.00 3.38 0.01 -1.14 115.31 118.38 1k6m h LEU 351 Ca 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1k6m h LEU 351 Cb 1.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1k6m h LEU 351 CO 0.11 0.94 0.24 -0.09 0.09 0.00 0.00 178.44 179.73 1k6m h ARG 352 N 1.00 1.08 0.00 1.13 2.43 -0.67 -0.97 114.38 118.38 1k6m h ARG 352 Ca 0.21 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1k6m h ARG 352 Cb 0.33 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1k6m h ARG 352 CO -0.00 0.91 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.81 1k6m h ASP 353 N 1.04 0.00 0.92 -3.80 5.19 -0.80 0.15 116.42 119.13 1k6m h ASP 353 Ca 0.23 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.47 1k6m h ASP 353 Cb 0.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1k6m h ASP 353 CO -0.01 0.11 -0.81 1.56 -3.12 0.00 0.00 179.24 176.97 1k6m h GLN 354 N 0.00 0.00 -1.26 3.56 4.20 -0.00 -3.40 115.11 118.21 1k6m h GLN 354 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1k6m h GLN 354 Cb 0.47 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.02 1k6m h GLN 354 CO 0.01 0.81 -0.66 -3.47 -0.67 0.00 0.00 178.83 174.85 1k6m n ASP 355 N -3.49 -2.35 0.28 1.46 -0.08 -0.78 -4.99 116.55 106.61 1k6m n ASP 355 Ca -0.00 -2.83 0.15 0.00 -1.51 0.00 0.00 54.79 50.60 1k6m n ASP 355 Cb 0.80 1.00 0.83 0.00 2.34 0.00 0.00 41.12 46.10 1k6m n ASP 355 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1k6m h LYS 356 N 4.92 0.00 -0.01 -0.67 3.64 -0.94 0.23 116.57 123.73 1k6m h LYS 356 Ca 0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1k6m h LYS 356 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1k6m h LYS 356 CO 0.19 0.07 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.42 1k6m h TYR 357 N 0.00 0.12 0.03 1.91 3.20 -1.85 -3.36 116.97 117.03 1k6m h TYR 357 Ca -0.00 -0.06 -0.34 0.00 3.14 0.00 0.00 58.73 61.47 1k6m h TYR 357 Cb 0.24 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1k6m h TYR 357 CO 0.00 0.78 -2.06 0.54 -1.64 0.00 0.00 178.16 175.78 1k6m n ARG 358 N -4.66 0.68 -1.85 1.82 1.74 -1.15 -1.03 116.66 112.21 1k6m n ARG 358 Ca -0.09 0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 1k6m n ARG 358 Cb 0.40 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1k6m n ARG 358 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1k6m s TYR 359 N -2.55 2.67 -0.06 -1.55 5.04 0.06 -4.69 117.35 116.27 1k6m s TYR 359 Ca -0.15 1.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1k6m s TYR 359 Cb 0.07 -3.98 -0.02 0.00 0.35 0.00 0.00 41.96 38.38 1k6m s TYR 359 CO 0.78 -2.87 -0.15 1.03 -1.34 0.00 0.00 175.55 172.99 1k6m s ARG 360 N -1.91 2.58 0.46 4.97 0.52 -1.26 -4.40 118.95 119.90 1k6m s ARG 360 Ca 0.53 -0.71 -0.20 0.00 -0.52 0.00 0.00 55.73 54.83 1k6m s ARG 360 Cb -0.46 -2.38 -0.10 0.00 0.52 0.00 0.00 34.95 32.54 1k6m s ARG 360 CO 0.60 0.57 0.98 0.71 0.02 0.00 0.00 175.30 178.19 1k6m s TYR 361 N -0.59 3.21 -0.04 -0.53 4.12 -1.26 -4.89 117.35 117.36 1k6m s TYR 361 Ca 0.09 1.59 -0.38 0.00 0.02 0.00 0.00 57.07 58.38 1k6m s TYR 361 Cb -0.11 -2.92 -0.16 0.00 -1.52 0.00 0.00 41.96 37.25 1k6m s TYR 361 CO 0.01 -0.38 1.49 -2.30 0.02 0.00 0.00 175.55 174.38 1k6m n PRO 362 N -0.85 1.16 -1.22 -1.71 -0.02 -1.26 0.46 135.00 131.57 1k6m n PRO 362 Ca 0.08 0.42 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1k6m n PRO 362 Cb 0.53 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1k6m n PRO 362 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k6m n LYS 363 N 3.55 -0.96 -4.66 -0.52 5.02 -1.26 -0.50 118.16 118.82 1k6m n LYS 363 Ca 0.21 0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 56.89 1k6m n LYS 363 Cb 0.17 -4.64 -0.10 0.00 -0.02 0.00 0.00 35.03 30.45 1k6m n LYS 363 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1k6m s GLY 364 N -2.54 2.70 0.41 0.72 0.00 0.17 -3.76 107.32 105.02 1k6m s GLY 364 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1k6m s GLY 364 CO 0.00 -2.11 0.62 -0.54 0.00 0.00 0.00 173.10 171.06 1k6m s GLU 365 N -3.79 3.20 0.44 2.90 2.02 0.30 -4.41 118.70 119.37 1k6m s GLU 365 Ca 0.23 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.81 1k6m s GLU 365 Cb 0.06 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 1k6m s GLU 365 CO 0.12 -0.11 0.40 -1.54 0.02 0.00 0.00 175.26 174.14 1k6m s SER 366 N -4.16 4.97 0.27 -0.19 1.04 -1.26 -4.45 113.70 109.93 1k6m s SER 366 Ca 0.45 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1k6m s SER 366 Cb -0.10 -0.37 0.38 0.00 0.10 0.00 0.00 66.02 66.03 1k6m s SER 366 CO 0.37 -0.76 1.74 1.88 0.98 0.00 0.00 173.24 177.45 1k6m h TYR 367 N 0.95 0.68 -0.13 5.02 -1.99 -1.37 -1.57 116.97 118.55 1k6m h TYR 367 Ca -0.40 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.24 1k6m h TYR 367 Cb 1.27 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 39.79 1k6m h TYR 367 CO 0.58 0.73 -0.09 1.49 -0.00 0.00 0.00 178.16 180.88 1k6m h GLU 368 N 0.57 -0.09 -0.11 4.88 4.81 -1.41 -0.24 114.58 122.99 1k6m h GLU 368 Ca 0.10 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1k6m h GLU 368 Cb 0.57 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 1k6m h GLU 368 CO 0.04 -0.06 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.55 1k6m h ASP 369 N -0.09 -0.82 -0.35 1.04 3.32 -1.66 -1.99 116.42 115.86 1k6m h ASP 369 Ca 0.08 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.33 1k6m h ASP 369 Cb 0.21 0.36 -0.08 0.00 0.22 0.00 0.00 39.33 40.03 1k6m h ASP 369 CO -0.19 -0.32 -0.19 0.25 -1.72 0.00 0.00 179.24 177.07 1k6m h LEU 370 N -0.35 -0.65 -0.42 1.55 5.85 -0.74 -0.74 115.31 119.81 1k6m h LEU 370 Ca 0.09 0.14 0.09 0.00 0.84 0.00 0.00 57.88 59.05 1k6m h LEU 370 Cb 0.49 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.77 1k6m h LEU 370 CO -0.31 -0.23 -0.19 0.58 -0.34 0.00 0.00 178.44 177.95 1k6m h VAL 371 N -0.14 0.42 -0.09 1.05 2.07 -0.56 0.18 116.25 119.18 1k6m h VAL 371 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1k6m h VAL 371 Cb 0.41 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1k6m h VAL 371 CO -0.44 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.43 1k6m h GLN 372 N -0.11 -0.15 -0.01 1.57 4.15 -0.57 -1.21 115.11 118.78 1k6m h GLN 372 Ca 0.20 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1k6m h GLN 372 Cb 0.42 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1k6m h GLN 372 CO -0.49 -0.10 0.02 -0.09 -1.93 0.00 0.00 178.83 176.24 1k6m h ARG 373 N -0.15 0.00 -0.00 1.69 2.43 0.26 -2.20 114.38 116.40 1k6m h ARG 373 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1k6m h ARG 373 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1k6m h ARG 373 CO -0.18 0.00 -0.24 1.28 -1.51 0.00 0.00 179.97 179.31 1k6m n LEU 374 N -3.49 0.42 -0.13 3.80 4.77 0.50 -4.35 117.00 118.52 1k6m n LEU 374 Ca -0.03 0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1k6m n LEU 374 Cb 0.09 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1k6m n LEU 374 CO 0.24 0.09 0.63 -0.33 -1.33 0.00 0.00 177.39 176.68 1k6m h GLU 375 N 0.27 -0.25 -0.97 3.23 5.08 -1.22 0.18 114.58 120.91 1k6m h GLU 375 Ca 0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 1k6m h GLU 375 Cb 0.46 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1k6m h GLU 375 CO 0.00 -0.17 0.61 -1.35 -1.00 0.00 0.00 179.01 177.10 1k6m h PRO 376 N -0.26 0.63 -0.14 2.33 0.11 -1.82 -1.47 132.00 131.38 1k6m h PRO 376 Ca 0.17 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1k6m h PRO 376 Cb 0.55 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1k6m h PRO 376 CO -0.56 0.41 -0.13 0.28 -0.21 0.00 0.00 178.00 177.80 1k6m h VAL 377 N 0.64 1.34 -0.69 3.15 2.07 -1.31 -1.75 116.25 119.70 1k6m h VAL 377 Ca 0.53 -1.27 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1k6m h VAL 377 Cb 0.98 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 32.53 1k6m h VAL 377 CO -0.29 0.37 0.26 0.40 0.02 0.00 0.00 177.57 178.33 1k6m h ILE 378 N -0.04 0.69 -0.75 4.57 1.08 -0.16 0.12 117.51 123.01 1k6m h ILE 378 Ca 0.02 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 1k6m h ILE 378 Cb 0.65 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 1k6m h ILE 378 CO 0.03 0.07 0.32 -0.03 -0.69 0.00 0.00 178.15 177.86 1k6m h MET 379 N 0.41 1.11 -0.10 2.37 4.05 -1.19 -1.24 114.93 120.33 1k6m h MET 379 Ca 0.37 -0.19 -0.09 0.00 -0.28 0.00 0.00 59.70 59.52 1k6m h MET 379 Cb 0.53 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1k6m h MET 379 CO -0.38 0.89 -0.33 1.49 0.23 0.00 0.00 176.91 178.82 1k6m h GLU 380 N 1.07 0.20 -0.15 0.39 4.57 -0.28 -2.07 114.58 118.31 1k6m h GLU 380 Ca 0.25 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 1k6m h GLU 380 Cb 0.18 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1k6m h GLU 380 CO -0.02 0.51 -0.37 -0.07 -1.18 0.00 0.00 179.01 177.88 1k6m h LEU 381 N 0.17 0.32 -0.71 1.64 3.38 0.05 -2.41 115.31 117.76 1k6m h LEU 381 Ca 0.02 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1k6m h LEU 381 Cb 0.67 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1k6m h LEU 381 CO 0.05 0.67 -0.06 -0.33 0.09 0.00 0.00 178.44 178.86 1k6m h GLU 382 N 0.26 0.93 0.00 1.13 4.39 -0.58 -3.01 114.58 117.71 1k6m h GLU 382 Ca 0.03 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1k6m h GLU 382 Cb 0.77 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1k6m h GLU 382 CO 0.06 0.96 -0.31 0.00 -1.16 0.00 0.00 179.01 178.56 1k6m h ARG 383 N 0.85 0.00 -7.37 2.33 3.08 -1.22 -3.39 114.38 108.65 1k6m h ARG 383 Ca 0.15 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.71 1k6m h ARG 383 Cb 0.58 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.70 1k6m h ARG 383 CO 0.04 0.31 0.36 -0.65 -1.07 0.00 0.00 179.97 178.95 1k6m s GLN 384 N -3.43 2.97 0.00 0.04 -1.52 -0.93 -5.04 119.66 111.75 1k6m s GLN 384 Ca 0.02 0.39 0.00 0.00 -1.95 0.00 0.00 55.36 53.82 1k6m s GLN 384 Cb 0.09 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.79 1k6m s GLN 384 CO 0.67 -0.89 0.00 0.39 -0.25 0.00 0.00 175.29 175.21 1k6m n GLU 385 N -2.87 0.00 -2.82 2.91 1.02 -1.26 -4.97 120.64 112.65 1k6m n GLU 385 Ca 0.06 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1k6m n GLU 385 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.95 1k6m n GLU 385 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1k6m s ASN 386 N -0.91 7.02 -0.06 1.62 0.01 -1.26 -4.37 114.94 116.98 1k6m s ASN 386 Ca 0.00 1.26 -0.06 0.00 -0.71 0.00 0.00 52.86 53.34 1k6m s ASN 386 Cb 0.00 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.19 1k6m s ASN 386 CO 0.00 -0.45 0.17 0.54 -1.51 0.00 0.00 177.10 175.85 1k6m s VAL 387 N 2.30 0.01 -0.11 1.60 0.11 -1.07 -1.44 120.40 121.80 1k6m s VAL 387 Ca 0.41 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1k6m s VAL 387 Cb -0.17 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1k6m s VAL 387 CO 0.12 -0.05 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.47 1k6m s LEU 388 N -0.10 2.60 -0.27 2.54 2.96 0.11 -1.51 118.68 125.01 1k6m s LEU 388 Ca -0.02 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1k6m s LEU 388 Cb -0.02 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.17 1k6m s LEU 388 CO 0.00 0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 1k6m s VAL 389 N 0.20 2.24 -0.42 1.68 1.01 0.42 -1.45 120.40 124.07 1k6m s VAL 389 Ca -0.09 -1.67 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 1k6m s VAL 389 Cb -0.16 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1k6m s VAL 389 CO 0.06 -0.07 0.49 -0.63 0.00 0.00 0.00 175.10 174.94 1k6m s ILE 390 N 1.10 5.02 0.00 2.22 1.01 -0.26 -1.83 121.20 128.46 1k6m s ILE 390 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1k6m s ILE 390 Cb -0.20 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1k6m s ILE 390 CO -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 174.94 174.42 1k6m s HIS 392 N 3.85 1.24 0.12 0.00 3.76 -1.26 -2.27 115.29 120.73 1k6m s HIS 392 Ca 0.00 -1.29 -0.25 0.00 -0.15 0.00 0.00 55.06 53.37 1k6m s HIS 392 Cb 0.00 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 1k6m s HIS 392 CO 0.00 -0.52 1.65 0.37 -0.85 0.00 0.00 174.74 175.39 1k6m h GLN 393 N 2.58 -0.35 -0.21 1.40 4.15 -1.96 0.24 115.11 120.97 1k6m h GLN 393 Ca -0.37 0.02 -0.13 0.00 0.77 0.00 0.00 58.65 58.95 1k6m h GLN 393 Cb 1.24 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1k6m h GLN 393 CO 0.56 -0.23 -0.37 0.00 -1.93 0.00 0.00 178.83 176.86 1k6m h ALA 394 N 0.50 0.32 -0.12 3.38 0.00 -1.98 -2.48 119.26 118.89 1k6m h ALA 394 Ca 0.06 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1k6m h ALA 394 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1k6m h ALA 394 CO -0.20 0.40 -0.11 0.28 0.00 0.00 0.00 179.25 179.62 1k6m h VAL 395 N 0.30 0.68 -0.71 0.00 2.07 -1.87 -2.01 116.25 114.71 1k6m h VAL 395 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1k6m h VAL 395 Cb 0.97 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1k6m h VAL 395 CO 0.08 0.00 0.47 -0.03 0.02 0.00 0.00 177.57 178.11 1k6m h MET 396 N -0.13 0.62 -0.58 1.57 -1.53 -0.50 -1.56 114.93 112.82 1k6m h MET 396 Ca 0.08 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.25 1k6m h MET 396 Cb 0.26 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.14 1k6m h MET 396 CO -0.20 0.41 0.13 0.00 0.14 0.00 0.00 176.91 177.39 1k6m h ARG 397 N 0.64 0.93 0.29 0.39 3.08 -0.89 -1.35 114.38 117.47 1k6m h ARG 397 Ca 0.32 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1k6m h ARG 397 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1k6m h ARG 397 CO -0.11 0.87 -0.14 0.00 -1.07 0.00 0.00 179.97 179.52 1k6m h LEU 399 N -0.41 0.84 -0.34 0.00 3.38 -1.15 -0.53 115.31 117.10 1k6m h LEU 399 Ca -0.04 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1k6m h LEU 399 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1k6m h LEU 399 CO 0.07 0.54 0.03 -0.07 0.09 0.00 0.00 178.44 179.09 1k6m h LEU 400 N 0.97 0.57 -1.06 1.67 3.38 -1.10 -1.15 115.31 118.60 1k6m h LEU 400 Ca 0.37 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1k6m h LEU 400 Cb 0.14 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1k6m h LEU 400 CO -0.16 0.71 0.63 0.00 0.09 0.00 0.00 178.44 179.71 1k6m h ALA 401 N 0.87 1.43 0.65 1.53 0.00 -0.66 0.81 119.26 123.89 1k6m h ALA 401 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1k6m h ALA 401 Cb 0.41 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1k6m h ALA 401 CO 0.01 0.43 -0.31 -0.92 0.00 0.00 0.00 179.25 178.46 1k6m h TYR 402 N 1.14 -0.80 0.00 0.00 3.20 -0.71 0.66 116.97 120.45 1k6m h TYR 402 Ca 0.41 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.22 1k6m h TYR 402 Cb 0.15 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1k6m h TYR 402 CO -0.00 -0.46 -0.21 0.74 -1.64 0.00 0.00 178.16 176.59 1k6m h PHE 403 N -1.11 0.00 -0.41 -3.82 -1.00 -0.91 -3.11 116.94 106.58 1k6m h PHE 403 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1k6m h PHE 403 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1k6m h PHE 403 CO 0.00 0.21 0.00 1.28 -1.61 0.00 0.00 178.31 178.19 1k6m n LEU 404 N -3.65 3.28 -3.83 1.54 4.77 0.28 -4.66 117.00 114.73 1k6m n LEU 404 Ca -0.01 -2.13 -0.25 0.00 -0.03 0.00 0.00 56.01 53.59 1k6m n LEU 404 Cb 0.34 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1k6m n LEU 404 CO 0.33 0.77 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.42 1k6m n ASP 405 N 0.61 -1.87 -4.90 -1.43 4.64 0.11 -4.96 116.55 108.76 1k6m n ASP 405 Ca 0.15 -0.86 -0.28 0.00 -1.38 0.00 0.00 54.79 52.42 1k6m n ASP 405 Cb 0.53 -3.72 -0.00 0.00 -1.04 0.00 0.00 41.12 36.89 1k6m n ASP 405 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1k6m s LYS 406 N -6.31 3.56 0.47 -0.67 -0.14 -0.55 -5.04 119.74 111.07 1k6m s LYS 406 Ca 0.19 0.32 -0.15 0.00 -1.36 0.00 0.00 55.97 54.96 1k6m s LYS 406 Cb -0.10 -2.32 -0.08 0.00 -1.68 0.00 0.00 37.83 33.66 1k6m s LYS 406 CO 0.84 -0.27 0.91 -1.54 -0.76 0.00 0.00 175.35 174.54 1k6m s SER 407 N -4.08 6.64 0.59 2.83 1.04 -1.26 -4.82 113.70 114.64 1k6m s SER 407 Ca 0.49 1.46 0.29 0.00 0.48 0.00 0.00 55.95 58.67 1k6m s SER 407 Cb -0.10 -2.46 1.73 0.00 0.10 0.00 0.00 66.02 65.28 1k6m s SER 407 CO 0.46 -0.50 2.16 0.77 0.98 0.00 0.00 173.24 177.11 1k6m h SER 408 N 1.17 0.00 -0.23 7.02 4.64 -1.98 0.43 113.55 124.60 1k6m h SER 408 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 1k6m h SER 408 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1k6m h SER 408 CO 0.62 0.00 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.19 1k6m h GLU 409 N 0.00 0.45 -0.35 4.77 5.08 -2.02 -3.25 114.58 119.25 1k6m h GLU 409 Ca 0.05 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1k6m h GLU 409 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1k6m h GLU 409 CO -0.00 0.69 -0.31 0.93 -1.00 0.00 0.00 179.01 179.32 1k6m h GLU 410 N 0.18 0.83 -0.81 2.33 5.08 -0.72 -3.38 114.58 118.09 1k6m h GLU 410 Ca 0.06 -0.43 0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1k6m h GLU 410 Cb 0.53 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 1k6m h GLU 410 CO 0.02 1.06 -0.35 1.25 -1.00 0.00 0.00 179.01 179.99 1k6m h LEU 411 N 0.63 -1.27 0.00 1.33 5.85 -0.46 0.19 115.31 121.58 1k6m h LEU 411 Ca 0.06 0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1k6m h LEU 411 Cb 0.89 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1k6m h LEU 411 CO 0.08 -0.30 0.00 -2.65 -0.34 0.00 0.00 178.44 175.23 1k6m n PRO 412 N -5.46 0.23 -0.09 5.25 -0.02 -1.26 -2.53 135.00 131.13 1k6m n PRO 412 Ca 0.08 0.10 0.03 0.00 -2.02 0.00 0.00 63.50 61.69 1k6m n PRO 412 Cb 0.38 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.44 1k6m n PRO 412 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1k6m n TYR 413 N -1.15 0.19 -2.17 6.00 4.02 0.05 -5.03 117.16 119.08 1k6m n TYR 413 Ca 0.06 -0.59 -0.36 0.00 -0.01 0.00 0.00 57.90 57.00 1k6m n TYR 413 Cb 0.06 -0.08 0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1k6m n TYR 413 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k6m s LEU 414 N -1.37 3.84 -0.53 7.72 1.43 -1.05 -4.96 118.68 123.76 1k6m s LEU 414 Ca 0.13 2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 55.32 1k6m s LEU 414 Cb 0.09 -4.44 0.04 0.00 0.03 0.00 0.00 46.19 41.92 1k6m s LEU 414 CO 0.05 -1.22 0.87 -0.54 0.23 0.00 0.00 176.35 175.74 1k6m s LYS 415 N -3.05 3.31 -0.74 1.70 1.02 -1.26 -4.95 119.74 115.77 1k6m s LYS 415 Ca 0.70 -0.33 0.04 0.00 0.02 0.00 0.00 55.97 56.40 1k6m s LYS 415 Cb -0.28 -4.04 0.19 0.00 -0.52 0.00 0.00 37.83 33.18 1k6m s LYS 415 CO 0.33 -1.38 0.59 0.00 -0.92 0.00 0.00 175.35 173.97 1k6m s PRO 417 N -1.63 2.61 0.71 0.00 0.04 -1.26 -4.88 135.00 130.58 1k6m s PRO 417 Ca 0.28 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1k6m s PRO 417 Cb -0.02 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1k6m s PRO 417 CO -0.14 -1.45 1.07 -0.51 0.04 0.00 0.00 177.00 176.01 1k6m s LEU 418 N -4.73 3.12 -1.20 -3.56 1.43 -1.26 -3.80 118.68 108.68 1k6m s LEU 418 Ca 0.73 1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 55.49 1k6m s LEU 418 Cb -0.26 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.46 1k6m s LEU 418 CO 0.40 -1.58 0.10 1.41 0.23 0.00 0.00 176.35 176.90 1k6m n HIS 419 N -3.18 -1.45 -4.48 0.29 8.25 -1.26 -4.94 115.22 108.45 1k6m n HIS 419 Ca 0.08 0.09 -0.23 0.00 -0.26 0.00 0.00 57.72 57.40 1k6m n HIS 419 Cb 0.53 -3.03 -0.16 0.00 1.12 0.00 0.00 29.99 28.45 1k6m n HIS 419 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1k6m s THR 420 N -2.74 0.96 -0.15 1.59 2.01 -1.25 -1.46 115.64 114.60 1k6m s THR 420 Ca 0.07 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 1k6m s THR 420 Cb -0.03 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1k6m s THR 420 CO 0.08 0.31 0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 1k6m s VAL 421 N 0.55 4.90 -0.30 3.82 1.01 0.16 -4.59 120.40 125.95 1k6m s VAL 421 Ca -0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1k6m s VAL 421 Cb -0.14 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1k6m s VAL 421 CO 0.02 0.53 0.10 -0.76 0.00 0.00 0.00 175.10 174.99 1k6m s LEU 422 N -0.21 3.94 -0.34 3.92 1.43 -0.32 0.24 118.68 127.34 1k6m s LEU 422 Ca 0.08 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 1k6m s LEU 422 Cb -0.12 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1k6m s LEU 422 CO 0.01 -0.20 0.36 -0.75 0.23 0.00 0.00 176.35 176.00 1k6m s LYS 423 N 1.52 3.56 -0.24 1.70 2.20 0.18 -0.99 119.74 127.68 1k6m s LYS 423 Ca 0.03 -0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 55.13 1k6m s LYS 423 Cb -0.17 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1k6m s LYS 423 CO 0.03 -0.53 0.13 -0.51 -0.36 0.00 0.00 175.35 174.11 1k6m s LEU 424 N 2.02 3.89 -0.29 5.43 1.43 0.12 -0.31 118.68 130.97 1k6m s LEU 424 Ca 0.12 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1k6m s LEU 424 Cb -0.17 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.09 1k6m s LEU 424 CO 0.12 0.05 -0.03 -0.89 0.23 0.00 0.00 176.35 175.82 1k6m s THR 425 N 1.15 2.13 0.41 5.49 2.01 -0.47 -0.79 115.64 125.58 1k6m s THR 425 Ca 0.06 -1.89 -0.26 0.00 0.31 0.00 0.00 61.69 59.91 1k6m s THR 425 Cb -0.14 -2.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 1k6m s THR 425 CO 0.05 -0.29 1.33 -2.84 -0.69 0.00 0.00 174.62 172.17 1k6m s PRO 426 N 1.06 3.92 0.07 4.92 0.02 -1.26 -1.51 135.00 142.21 1k6m s PRO 426 Ca 0.00 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1k6m s PRO 426 Cb -0.19 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.54 1k6m s PRO 426 CO -0.07 -0.55 -0.04 0.14 -0.33 0.00 0.00 177.00 176.15 1k6m s VAL 427 N -1.25 0.40 0.08 3.83 -7.23 -1.09 -4.87 120.40 110.28 1k6m s VAL 427 Ca 0.57 -1.86 -0.37 0.00 -1.81 0.00 0.00 61.98 58.52 1k6m s VAL 427 Cb -0.39 -1.59 -0.17 0.00 0.56 0.00 0.00 36.38 34.79 1k6m s VAL 427 CO 0.50 -0.95 1.31 0.00 -0.31 0.00 0.00 175.10 175.65 1k6m n ALA 428 N 0.05 -1.19 -2.96 1.32 0.00 -1.26 -2.51 120.51 113.96 1k6m n ALA 428 Ca -0.13 0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 1k6m n ALA 428 Cb 0.61 -2.05 0.01 0.00 0.00 0.00 0.00 19.45 18.03 1k6m n ALA 428 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k6m n TYR 429 N 2.38 -0.95 0.00 0.00 4.02 -1.26 -4.84 117.16 116.50 1k6m n TYR 429 Ca 0.18 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.47 1k6m n TYR 429 Cb 0.18 -1.12 0.00 0.00 -0.02 0.00 0.00 39.34 38.38 1k6m n TYR 429 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k6m n GLY 430 N 0.63 0.90 3.20 2.72 0.00 -1.04 -5.10 105.19 106.50 1k6m n GLY 430 Ca -0.03 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.07 1k6m n GLY 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6m s LYS 432 N 2.61 3.31 -0.08 0.00 -2.85 -0.57 -4.85 119.74 117.31 1k6m s LYS 432 Ca -0.03 0.62 -0.07 0.00 -1.00 0.00 0.00 55.97 55.49 1k6m s LYS 432 Cb -0.06 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.66 1k6m s LYS 432 CO -0.12 -0.74 0.21 0.54 0.10 0.00 0.00 175.35 175.33 1k6m s VAL 433 N -3.24 -0.01 -0.06 1.79 0.11 -1.26 -1.37 120.40 116.37 1k6m s VAL 433 Ca 0.56 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.69 1k6m s VAL 433 Cb -0.11 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1k6m s VAL 433 CO 0.53 0.01 -0.24 -1.61 -3.33 0.00 0.00 175.10 170.46 1k6m s GLU 434 N 0.26 2.56 -0.23 1.54 2.02 0.58 -4.96 118.70 120.48 1k6m s GLU 434 Ca -0.01 -0.86 -0.09 0.00 0.02 0.00 0.00 54.97 54.02 1k6m s GLU 434 Cb -0.03 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1k6m s GLU 434 CO -0.01 0.32 0.12 0.45 0.02 0.00 0.00 175.26 176.17 1k6m s SER 435 N -0.03 5.83 -0.23 -0.19 0.15 -1.26 -0.65 113.70 117.32 1k6m s SER 435 Ca -0.07 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1k6m s SER 435 Cb -0.14 -2.04 0.06 0.00 -1.71 0.00 0.00 66.02 62.18 1k6m s SER 435 CO 0.05 0.07 -0.05 -0.63 1.20 0.00 0.00 173.24 173.87 1k6m s ILE 436 N 1.03 1.52 0.09 6.45 1.01 0.14 -4.97 121.20 126.47 1k6m s ILE 436 Ca 0.06 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.20 1k6m s ILE 436 Cb -0.14 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 1k6m s ILE 436 CO 0.04 -0.11 0.94 -0.47 0.00 0.00 0.00 174.94 175.34 1k6m s TYR 437 N 1.40 3.79 -0.66 3.97 5.04 -1.26 0.38 117.35 130.01 1k6m s TYR 437 Ca -0.06 1.75 0.12 0.00 -2.44 0.00 0.00 57.07 56.44 1k6m s TYR 437 Cb -0.19 -3.03 0.62 0.00 0.35 0.00 0.00 41.96 39.71 1k6m s TYR 437 CO -0.06 0.20 1.46 1.28 -1.34 0.00 0.00 175.55 177.09 1k6m n LEU 438 N 2.87 4.44 -3.56 6.97 4.77 -0.53 -4.95 117.00 127.00 1k6m n LEU 438 Ca 0.02 -2.25 -0.19 0.00 -0.03 0.00 0.00 56.01 53.56 1k6m n LEU 438 Cb 0.49 -0.61 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1k6m n LEU 438 CO 0.51 0.58 0.05 0.59 -1.33 0.00 0.00 177.39 177.78 1k6m n ASN 439 N 0.59 -2.03 -3.64 -1.43 3.02 -1.26 -4.96 115.26 105.55 1k6m n ASN 439 Ca 0.21 -0.70 -0.18 0.00 -0.03 0.00 0.00 54.58 53.89 1k6m n ASN 439 Cb 0.91 -4.67 -0.16 0.00 -0.61 0.00 0.00 39.78 35.25 1k6m n ASN 439 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k6m s VAL 440 N -3.48 -0.25 0.77 2.41 1.01 -1.26 -5.09 120.40 114.52 1k6m s VAL 440 Ca 0.06 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1k6m s VAL 440 Cb -0.03 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1k6m s VAL 440 CO 0.76 0.08 1.15 -1.61 0.00 0.00 0.00 175.10 175.49 1k6m s GLU 441 N 2.28 2.03 0.26 2.72 2.02 -1.26 -4.85 118.70 121.90 1k6m s GLU 441 Ca 0.04 1.50 -0.19 0.00 0.02 0.00 0.00 54.97 56.34 1k6m s GLU 441 Cb -0.13 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.27 1k6m s GLU 441 CO -0.06 -1.87 0.64 0.00 0.02 0.00 0.00 175.26 173.99 1k6m s ALA 442 N -2.42 -0.96 0.85 5.21 0.00 -1.26 -4.87 121.76 118.31 1k6m s ALA 442 Ca 0.68 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1k6m s ALA 442 Cb -0.23 0.91 0.10 0.00 0.00 0.00 0.00 23.12 23.90 1k6m s ALA 442 CO 0.50 -0.97 1.16 0.14 0.00 0.00 0.00 175.76 176.59 1k6m s VAL 443 N -3.94 2.09 -0.21 0.00 -7.23 -1.26 -5.05 120.40 104.80 1k6m s VAL 443 Ca 0.13 0.03 -0.09 0.00 -1.81 0.00 0.00 61.98 60.24 1k6m s VAL 443 Cb -0.04 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1k6m s VAL 443 CO 0.06 -0.04 0.11 0.21 -0.31 0.00 0.00 175.10 175.13 1k6m s ASN 444 N -4.31 5.85 0.00 4.85 2.47 -1.26 -4.72 114.94 117.83 1k6m s ASN 444 Ca 0.63 0.09 0.06 0.00 0.42 0.00 0.00 52.86 54.06 1k6m s ASN 444 Cb -0.13 -2.03 0.09 0.00 -1.45 0.00 0.00 41.25 37.74 1k6m s ASN 444 CO 0.51 0.12 0.86 0.35 -3.72 0.00 0.00 177.10 175.22 1k6m n THR 445 N 3.89 0.36 -2.42 -5.21 -2.24 -1.26 -4.65 114.28 102.74 1k6m n THR 445 Ca -0.16 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.51 1k6m n THR 445 Cb 0.52 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1k6m n THR 445 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1k6m s HIS 446 N -0.69 2.85 -0.34 4.78 5.04 -1.26 -4.96 115.29 120.70 1k6m s HIS 446 Ca 0.09 1.01 -0.02 0.00 -1.54 0.00 0.00 55.06 54.60 1k6m s HIS 446 Cb 0.06 -3.51 0.07 0.00 0.04 0.00 0.00 32.58 29.25 1k6m s HIS 446 CO 0.08 -1.70 0.08 0.50 -2.34 0.00 0.00 174.74 171.36 1k6m s ARG 447 N 3.51 2.21 0.73 2.88 3.52 -1.26 -4.47 118.95 126.07 1k6m s ARG 447 Ca 0.55 -1.51 -0.11 0.00 -0.13 0.00 0.00 55.73 54.53 1k6m s ARG 447 Cb -0.22 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1k6m s ARG 447 CO 0.15 -0.80 1.08 -1.21 -0.81 0.00 0.00 175.30 173.71 1k6m s GLU 448 N 1.19 2.54 0.09 5.12 2.02 -1.25 -4.95 118.70 123.46 1k6m s GLU 448 Ca 0.01 1.15 -0.31 0.00 0.02 0.00 0.00 54.97 55.84 1k6m s GLU 448 Cb -0.21 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 1k6m s GLU 448 CO -0.03 -1.42 1.72 0.21 0.02 0.00 0.00 175.26 175.76 1k6m s LYS 449 N -4.79 4.17 0.71 1.61 2.20 -1.26 -4.77 119.74 117.62 1k6m s LYS 449 Ca 0.61 2.43 -0.15 0.00 -0.36 0.00 0.00 55.97 58.51 1k6m s LYS 449 Cb -0.17 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1k6m s LYS 449 CO 0.53 -0.77 1.17 -2.14 -0.36 0.00 0.00 175.35 173.78 1k6m s PRO 450 N 2.63 2.30 0.41 4.03 0.02 -1.26 -4.91 135.00 138.22 1k6m s PRO 450 Ca 0.76 1.64 0.21 0.00 0.02 0.00 0.00 61.00 63.63 1k6m s PRO 450 Cb -0.42 -1.87 0.80 0.00 0.02 0.00 0.00 34.50 33.03 1k6m s PRO 450 CO 0.34 -1.68 1.78 1.05 -0.33 0.00 0.00 177.00 178.16 1k6m h GLU 451 N -0.25 0.00 -4.94 5.54 4.11 -1.93 -3.40 114.58 113.71 1k6m h GLU 451 Ca -0.47 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.29 1k6m h GLU 451 Cb 1.28 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.24 1k6m h GLU 451 CO 0.51 0.31 -0.72 1.21 0.07 0.00 0.00 179.01 180.38 1k6m s ASN 452 N -6.35 4.37 -0.05 3.06 2.47 -1.26 -4.95 114.94 112.24 1k6m s ASN 452 Ca 0.00 -0.61 0.07 0.00 0.42 0.00 0.00 52.86 52.74 1k6m s ASN 452 Cb 0.11 -1.72 0.14 0.00 -1.45 0.00 0.00 41.25 38.32 1k6m s ASN 452 CO 0.66 -0.08 1.08 1.33 -3.72 0.00 0.00 177.10 176.38 1k6m n VAL 453 N 4.76 1.33 -1.90 -5.21 0.24 -1.26 -4.67 118.33 111.61 1k6m n VAL 453 Ca -0.17 -1.44 -0.35 0.00 -2.04 0.00 0.00 64.34 60.35 1k6m n VAL 453 Cb 0.49 0.24 0.04 0.00 -1.47 0.00 0.00 33.84 33.14 1k6m n VAL 453 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1k6m s ASP 454 N -1.63 5.12 0.40 -1.34 -1.08 -1.26 -4.50 116.67 112.38 1k6m s ASP 454 Ca 0.13 2.23 0.09 0.00 -0.52 0.00 0.00 52.55 54.49 1k6m s ASP 454 Cb 0.11 -2.58 0.84 0.00 -1.46 0.00 0.00 42.92 39.83 1k6m s ASP 454 CO 0.02 -1.63 1.97 0.40 0.52 0.00 0.00 175.17 176.45 1k6m h ILE 455 N 0.53 1.14 -0.15 4.11 1.08 -1.92 -2.44 117.51 119.86 1k6m h ILE 455 Ca -0.49 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1k6m h ILE 455 Cb 1.28 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1k6m h ILE 455 CO 0.54 0.19 0.00 0.35 -0.69 0.00 0.00 178.15 178.54 1k6m n THR 456 N -4.34 0.19 -1.03 -0.27 -2.24 -1.26 -4.78 114.28 100.54 1k6m n THR 456 Ca -0.00 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1k6m n THR 456 Cb 0.20 0.40 0.13 0.00 -2.10 0.00 0.00 70.33 68.96 1k6m n THR 456 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k6m s ARG 457 N -1.81 1.63 0.32 -0.78 1.70 -0.92 -5.00 118.95 114.09 1k6m s ARG 457 Ca 0.33 1.48 -0.02 0.00 -0.47 0.00 0.00 55.73 57.05 1k6m s ARG 457 Cb 0.18 -1.80 -0.04 0.00 -0.57 0.00 0.00 34.95 32.72 1k6m s ARG 457 CO 0.27 -2.16 0.54 -1.21 -1.08 0.00 0.00 175.30 171.66 1k6m s GLU 458 N -4.56 3.54 0.18 3.89 2.02 -1.26 -4.91 118.70 117.61 1k6m s GLU 458 Ca 0.67 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 55.20 1k6m s GLU 458 Cb -0.22 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.37 1k6m s GLU 458 CO 0.54 0.18 1.55 -1.35 0.02 0.00 0.00 175.26 176.20 1k6m h PRO 459 N 1.20 -0.03 -1.00 0.39 0.10 -1.97 0.19 132.00 130.89 1k6m h PRO 459 Ca -0.49 0.00 0.12 0.00 0.10 0.00 0.00 66.00 65.74 1k6m h PRO 459 Cb 1.20 0.01 -0.08 0.00 0.10 0.00 0.00 31.00 32.23 1k6m h PRO 459 CO 0.64 -0.02 0.63 1.05 0.10 0.00 0.00 178.00 180.40 1k6m h GLU 460 N -0.03 0.95 0.00 1.05 9.09 -1.96 0.27 114.58 123.95 1k6m h GLU 460 Ca 0.21 -0.06 -0.05 0.00 0.05 0.00 0.00 59.36 59.51 1k6m h GLU 460 Cb 0.48 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1k6m h GLU 460 CO -0.93 0.63 -0.25 0.93 0.05 0.00 0.00 179.01 179.45 1k6m h GLU 461 N 0.98 0.00 0.00 1.06 5.08 -1.10 -0.82 114.58 119.79 1k6m h GLU 461 Ca 0.49 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1k6m h GLU 461 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1k6m h GLU 461 CO -0.26 0.25 -1.20 0.00 -1.00 0.00 0.00 179.01 176.81 1k6m n ALA 462 N -2.37 2.41 0.34 3.43 0.00 0.57 -4.19 120.51 120.70 1k6m n ALA 462 Ca -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1k6m n ALA 462 Cb 0.34 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 18.84 1k6m n ALA 462 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k6m n LEU 463 N -2.69 2.31 0.00 0.00 4.77 0.63 -4.65 117.00 117.37 1k6m n LEU 463 Ca -0.03 -1.26 0.05 0.00 -0.03 0.00 0.00 56.01 54.75 1k6m n LEU 463 Cb 0.62 -0.07 0.30 0.00 -2.33 0.00 0.00 43.42 41.94 1k6m n LEU 463 CO 0.41 0.48 0.58 -0.90 -1.33 0.00 0.00 177.39 176.63 1k6m n ASP 464 N 0.70 0.00 -0.24 -1.43 5.75 -0.33 -1.70 116.55 119.29 1k6m n ASP 464 Ca 0.09 -0.12 0.03 0.00 -0.01 0.00 0.00 54.79 54.78 1k6m n ASP 464 Cb 0.35 -0.14 0.07 0.00 -1.03 0.00 0.00 41.12 40.37 1k6m n ASP 464 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1k6m n THR 465 N -1.14 1.10 -2.61 2.12 -2.24 -1.26 -4.99 114.28 105.25 1k6m n THR 465 Ca 0.07 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.32 1k6m n THR 465 Cb 0.06 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1k6m n THR 465 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k6m s VAL 466 N -1.18 4.43 0.65 2.28 1.01 -0.69 -3.97 120.40 122.93 1k6m s VAL 466 Ca 0.11 1.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 1k6m s VAL 466 Cb 0.07 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1k6m s VAL 466 CO 0.06 0.20 1.04 -2.16 0.00 0.00 0.00 175.10 174.24 1k6m s PRO 467 N 0.60 3.36 0.24 2.72 0.04 -1.26 -5.00 135.00 135.70 1k6m s PRO 467 Ca 0.52 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 1k6m s PRO 467 Cb -0.25 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 1k6m s PRO 467 CO 0.30 -0.74 1.55 0.00 0.04 0.00 0.00 177.00 178.14 1k6m s ALA 468 N -3.17 3.73 0.11 8.56 0.00 -1.26 -5.01 121.76 124.72 1k6m s ALA 468 Ca 0.56 1.45 0.03 0.00 0.00 0.00 0.00 51.96 54.00 1k6m s ALA 468 Cb -0.12 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1k6m s ALA 468 CO 0.54 -0.85 -0.09 -3.38 0.00 0.00 0.00 175.76 171.98 1k6m s HIS 469 N 0.36 1.07 -2.00 0.00 -3.43 -1.26 -4.29 115.29 105.74 1k6m s HIS 469 Ca 0.65 -0.79 0.23 0.00 -0.80 0.00 0.00 55.06 54.35 1k6m s HIS 469 Cb -0.45 -0.58 1.36 0.00 -1.43 0.00 0.00 32.58 31.49 1k6m s HIS 469 CO 0.41 -0.03 1.73 0.66 -2.00 0.00 0.00 174.74 175.52