#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7s n PHE 2 N 0.00 3.15 -3.83 2.03 3.01 -1.26 -4.72 117.46 115.83 3i7s n PHE 2 Ca 0.00 -2.73 -0.09 0.00 1.01 0.00 0.00 57.45 55.64 3i7s n PHE 2 Cb 0.00 -0.48 -0.07 0.00 -0.01 0.00 0.00 39.48 38.92 3i7s n PHE 2 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3i7s s THR 3 N -5.14 0.11 0.00 4.37 2.01 -1.26 -4.81 115.64 110.92 3i7s s THR 3 Ca 0.51 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3i7s s THR 3 Cb 0.42 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3i7s s THR 3 CO -0.15 -0.51 0.00 0.61 -0.69 0.00 0.00 174.62 173.88 3i7s n GLY 4 N -0.13 -0.25 3.53 4.40 0.00 -0.97 -4.69 105.19 107.08 3i7s n GLY 4 Ca -0.14 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3i7s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7s s SER 5 N -4.00 6.28 -0.18 1.61 0.15 -1.26 -1.60 113.70 114.70 3i7s s SER 5 Ca 0.00 -0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 3i7s s SER 5 Cb 0.00 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 3i7s s SER 5 CO 0.00 -0.56 -0.02 -0.63 1.20 0.00 0.00 173.24 173.23 3i7s s ILE 6 N 2.41 3.93 -0.05 6.45 1.01 0.58 -0.68 121.20 134.85 3i7s s ILE 6 Ca 0.18 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 3i7s s ILE 6 Cb -0.16 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3i7s s ILE 6 CO 0.15 0.46 0.67 0.54 0.00 0.00 0.00 174.94 176.76 3i7s s VAL 7 N 0.65 5.00 -0.78 2.92 0.11 -0.77 0.10 120.40 127.63 3i7s s VAL 7 Ca -0.01 1.39 -0.20 0.00 -2.93 0.00 0.00 61.98 60.23 3i7s s VAL 7 Cb -0.14 -4.01 0.11 0.00 -1.53 0.00 0.00 36.38 30.81 3i7s s VAL 7 CO 0.02 0.30 0.99 0.00 -3.33 0.00 0.00 175.10 173.08 3i7s s ALA 8 N 0.52 3.33 0.25 1.54 0.00 -0.12 -0.36 121.76 126.93 3i7s s ALA 8 Ca 0.36 -2.42 -0.29 0.00 0.00 0.00 0.00 51.96 49.61 3i7s s ALA 8 Cb -0.18 -3.88 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 3i7s s ALA 8 CO 0.18 -2.78 0.95 -1.50 0.00 0.00 0.00 175.76 172.60 3i7s s ILE 9 N 3.00 4.06 0.74 0.00 2.07 -0.93 -4.68 121.20 125.45 3i7s s ILE 9 Ca 0.25 2.02 -0.14 0.00 -1.41 0.00 0.00 60.65 61.38 3i7s s ILE 9 Cb -0.12 -4.26 0.04 0.00 0.13 0.00 0.00 42.46 38.25 3i7s s ILE 9 CO -0.01 0.44 1.15 0.68 -1.91 0.00 0.00 174.94 175.30 3i7s s VAL 10 N -1.24 2.72 -0.62 4.00 -7.23 -1.26 -3.05 120.40 113.71 3i7s s VAL 10 Ca 0.43 0.31 -0.14 0.00 -1.81 0.00 0.00 61.98 60.76 3i7s s VAL 10 Cb -0.25 -2.78 0.16 0.00 0.56 0.00 0.00 36.38 34.06 3i7s s VAL 10 CO 0.31 -0.23 0.56 -0.89 -0.31 0.00 0.00 175.10 174.55 3i7s s THR 11 N -2.31 5.20 0.32 5.32 2.01 -1.26 -4.85 115.64 120.07 3i7s s THR 11 Ca 0.69 -1.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.54 3i7s s THR 11 Cb -0.24 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 67.87 3i7s s THR 11 CO 0.47 -0.91 1.35 -2.16 -0.69 0.00 0.00 174.62 172.68 3i7s s PRO 12 N 1.10 4.32 0.15 4.92 0.04 -1.26 -4.93 135.00 139.34 3i7s s PRO 12 Ca 0.08 2.26 0.07 0.00 0.04 0.00 0.00 61.00 63.45 3i7s s PRO 12 Cb -0.23 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 3i7s s PRO 12 CO -0.01 -0.26 -0.15 -1.64 0.04 0.00 0.00 177.00 174.98 3i7s s MET 13 N -1.52 1.15 0.96 4.56 -1.94 -1.26 -0.83 119.30 120.42 3i7s s MET 13 Ca 0.51 -1.38 -0.15 0.00 -1.71 0.00 0.00 55.69 52.97 3i7s s MET 13 Cb -0.41 -1.01 0.21 0.00 2.01 0.00 0.00 34.83 35.63 3i7s s MET 13 CO 0.52 0.18 1.31 0.16 -0.01 0.00 0.00 175.02 177.18 3i7s s ASP 14 N -2.77 3.05 0.27 3.03 1.47 0.11 -4.35 116.67 117.48 3i7s s ASP 14 Ca 0.14 0.13 0.20 0.00 1.18 0.00 0.00 52.55 54.20 3i7s s ASP 14 Cb -0.03 -0.14 1.01 0.00 -0.34 0.00 0.00 42.92 43.42 3i7s s ASP 14 CO 0.04 -2.76 1.62 -0.62 0.68 0.00 0.00 175.17 174.14 3i7s n GLU 15 N -3.73 0.14 0.00 2.11 1.02 -1.26 -0.94 120.64 117.98 3i7s n GLU 15 Ca 0.16 0.55 0.13 0.00 -0.02 0.00 0.00 57.16 57.98 3i7s n GLU 15 Cb 0.59 -1.88 0.39 0.00 -0.02 0.00 0.00 31.44 30.52 3i7s n GLU 15 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i7s n LYS 16 N -2.17 0.26 -0.65 3.49 5.02 -1.26 -4.94 118.16 117.90 3i7s n LYS 16 Ca -0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3i7s n LYS 16 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3i7s n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7s n GLY 17 N 1.44 0.67 3.90 0.72 0.00 -0.11 -5.06 105.19 106.74 3i7s n GLY 17 Ca 0.08 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i7s n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i7s s ASN 18 N -2.07 6.22 0.24 1.61 0.01 -1.26 -4.84 114.94 114.84 3i7s s ASN 18 Ca 0.00 0.20 -0.31 0.00 -0.71 0.00 0.00 52.86 52.04 3i7s s ASN 18 Cb 0.00 -1.87 -0.13 0.00 0.41 0.00 0.00 41.25 39.66 3i7s s ASN 18 CO 0.00 0.14 1.44 0.55 -1.51 0.00 0.00 177.10 177.73 3i7s n VAL 19 N 0.13 0.87 -3.44 1.60 3.14 -1.26 -0.71 118.33 118.65 3i7s n VAL 19 Ca -0.06 -0.22 -0.43 0.00 -2.96 0.00 0.00 64.34 60.67 3i7s n VAL 19 Cb 0.52 -1.54 -0.07 0.00 -1.06 0.00 0.00 33.84 31.69 3i7s n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i7s h ARG 21 N 8.67 0.24 -0.42 0.00 1.12 -1.92 -0.37 114.38 121.70 3i7s h ARG 21 Ca -0.26 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.52 3i7s h ARG 21 Cb 1.09 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.98 3i7s h ARG 21 CO 0.90 0.16 -0.03 0.00 -3.11 0.00 0.00 179.97 177.89 3i7s h ALA 22 N 1.31 1.18 -0.11 2.80 0.00 -1.99 0.17 119.26 122.63 3i7s h ALA 22 Ca 0.20 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3i7s h ALA 22 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i7s h ALA 22 CO -0.25 0.53 -0.21 0.77 0.00 0.00 0.00 179.25 180.10 3i7s h SER 23 N 0.64 0.37 0.01 0.00 0.02 -1.74 -1.80 113.55 111.05 3i7s h SER 23 Ca 0.13 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 3i7s h SER 23 Cb 0.44 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3i7s h SER 23 CO 0.02 0.86 -0.44 0.25 -1.14 0.00 0.00 176.83 176.38 3i7s h LEU 24 N -0.11 -1.32 -0.70 5.07 5.85 -0.88 0.13 115.31 123.35 3i7s h LEU 24 Ca 0.00 0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.04 3i7s h LEU 24 Cb 0.79 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 42.22 3i7s h LEU 24 CO 0.05 -0.47 0.07 0.50 -0.34 0.00 0.00 178.44 178.25 3i7s h LYS 25 N -0.59 0.16 -0.51 1.25 3.64 -0.99 0.42 116.57 119.95 3i7s h LYS 25 Ca 0.04 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3i7s h LYS 25 Cb 0.67 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3i7s h LYS 25 CO -0.32 0.11 0.32 -0.22 -2.27 0.00 0.00 179.45 177.07 3i7s h LYS 26 N 0.17 0.62 -0.75 1.90 3.64 -0.62 -1.31 116.57 120.21 3i7s h LYS 26 Ca 0.38 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3i7s h LYS 26 Cb 0.66 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3i7s h LYS 26 CO -0.56 0.41 0.41 -0.07 -2.27 0.00 0.00 179.45 177.37 3i7s h LEU 27 N 0.64 0.94 -0.47 5.20 3.38 0.10 -1.04 115.31 124.06 3i7s h LEU 27 Ca 0.20 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3i7s h LEU 27 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3i7s h LEU 27 CO -0.07 0.77 -0.14 0.40 0.09 0.00 0.00 178.44 179.48 3i7s h ILE 28 N 1.04 1.27 -0.52 1.22 2.04 -0.88 -2.01 117.51 119.67 3i7s h ILE 28 Ca 0.27 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.86 3i7s h ILE 28 Cb 0.03 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3i7s h ILE 28 CO -0.04 0.44 0.32 0.44 0.00 0.00 0.00 178.15 179.30 3i7s h ASP 29 N 0.77 0.52 -0.90 1.72 3.32 -0.99 -1.04 116.42 119.82 3i7s h ASP 29 Ca 0.12 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.23 3i7s h ASP 29 Cb 0.70 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 3i7s h ASP 29 CO 0.05 0.37 0.57 0.22 -1.72 0.00 0.00 179.24 178.72 3i7s h TYR 30 N 0.63 1.05 0.01 4.55 3.20 -0.91 -0.34 116.97 125.17 3i7s h TYR 30 Ca 0.20 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.90 3i7s h TYR 30 Cb 0.00 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 3i7s h TYR 30 CO -0.06 0.53 -0.91 0.45 -1.64 0.00 0.00 178.16 176.53 3i7s h HIS 31 N 1.03 0.21 -0.58 -3.82 3.86 -0.81 -2.02 115.15 113.02 3i7s h HIS 31 Ca 0.39 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.43 3i7s h HIS 31 Cb 0.17 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3i7s h HIS 31 CO -0.02 0.97 0.19 0.28 0.86 0.00 0.00 177.93 180.21 3i7s h VAL 32 N 0.07 1.24 0.00 2.45 2.07 -0.63 -2.70 116.25 118.75 3i7s h VAL 32 Ca -0.04 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 3i7s h VAL 32 Cb 1.56 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3i7s h VAL 32 CO 0.13 0.30 -0.25 0.00 0.02 0.00 0.00 177.57 177.77 3i7s h ALA 33 N 1.06 0.93 -0.00 1.67 0.00 -0.97 -3.28 119.26 118.67 3i7s h ALA 33 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i7s h ALA 33 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i7s h ALA 33 CO -0.01 0.32 -0.76 0.43 0.00 0.00 0.00 179.25 179.23 3i7s n SER 34 N -3.30 0.79 0.00 0.00 7.64 -0.77 -4.99 113.62 113.00 3i7s n SER 34 Ca 0.01 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.22 3i7s n SER 34 Cb 0.51 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 3i7s n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i7s n GLY 35 N 1.50 0.75 3.62 0.23 0.00 -1.06 -4.22 105.19 106.00 3i7s n GLY 35 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 3i7s n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i7s n THR 36 N -2.39 1.39 0.05 2.61 -1.04 -1.04 -4.88 114.28 108.97 3i7s n THR 36 Ca 0.00 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.05 61.57 3i7s n THR 36 Cb 0.00 -1.13 -0.13 0.00 -1.82 0.00 0.00 70.33 67.25 3i7s n THR 36 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3i7s h SER 37 N 3.05 0.10 -4.64 8.00 0.02 -1.20 -3.46 113.55 115.42 3i7s h SER 37 Ca -0.43 -0.12 0.14 0.00 -0.84 0.00 0.00 61.79 60.54 3i7s h SER 37 Cb 1.32 -0.03 -0.15 0.00 0.14 0.00 0.00 62.40 63.67 3i7s h SER 37 CO 0.68 1.10 0.55 0.00 -1.14 0.00 0.00 176.83 178.01 3i7s s ALA 38 N -2.67 -1.86 -0.17 3.77 0.00 -1.25 -4.29 121.76 115.30 3i7s s ALA 38 Ca -0.02 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3i7s s ALA 38 Cb 0.09 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3i7s s ALA 38 CO 0.83 -0.70 -0.05 0.42 0.00 0.00 0.00 175.76 176.26 3i7s s ILE 39 N -3.01 3.62 -0.35 0.00 1.01 0.02 -1.85 121.20 120.64 3i7s s ILE 39 Ca 0.06 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 3i7s s ILE 39 Cb -0.01 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 3i7s s ILE 39 CO -0.08 0.48 0.56 -0.69 0.00 0.00 0.00 174.94 175.21 3i7s s VAL 40 N 0.62 4.97 -0.21 2.92 1.01 0.51 0.92 120.40 131.15 3i7s s VAL 40 Ca -0.03 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 3i7s s VAL 40 Cb -0.15 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3i7s s VAL 40 CO 0.03 -0.23 0.23 -0.55 0.00 0.00 0.00 175.10 174.57 3i7s s SER 41 N 1.75 6.25 -1.23 3.32 0.15 0.11 -2.19 113.70 121.87 3i7s s SER 41 Ca 0.21 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 3i7s s SER 41 Cb -0.15 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 62.01 3i7s s SER 41 CO 0.13 0.06 0.80 0.52 1.20 0.00 0.00 173.24 175.96 3i7s n VAL 42 N 4.05 -5.64 -0.72 4.45 0.31 -1.26 -1.15 118.33 118.36 3i7s n VAL 42 Ca -0.13 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 3i7s n VAL 42 Cb 0.52 -4.50 0.00 0.00 -0.91 0.00 0.00 33.84 28.95 3i7s n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7s n GLY 43 N -1.45 0.60 0.11 2.92 0.00 -1.26 -4.10 105.19 102.00 3i7s n GLY 43 Ca -0.24 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 3i7s n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i7s h THR 44 N 0.00 0.86 0.00 2.61 2.02 -1.96 -2.01 112.91 114.42 3i7s h THR 44 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3i7s h THR 44 Cb 0.00 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3i7s h THR 44 CO 0.00 0.01 -0.11 0.74 0.37 0.00 0.00 175.52 176.53 3i7s h THR 45 N 0.07 0.49 -0.40 3.16 2.02 -1.86 -0.51 112.91 115.88 3i7s h THR 45 Ca 0.09 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3i7s h THR 45 Cb 0.12 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3i7s h THR 45 CO -0.16 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.45 3i7s n GLY 46 N -0.59 2.17 3.72 2.16 0.00 -0.81 -4.22 105.19 107.62 3i7s n GLY 46 Ca -0.02 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3i7s n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7s n GLU 47 N 0.53 -6.42 -0.27 1.61 1.02 -0.20 -4.34 120.64 112.57 3i7s n GLU 47 Ca 0.18 0.71 0.26 0.00 -0.02 0.00 0.00 57.16 58.29 3i7s n GLU 47 Cb 0.76 -5.62 0.61 0.00 -0.02 0.00 0.00 31.44 27.16 3i7s n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i7s h SER 48 N -2.26 0.24 -0.53 1.62 4.64 -1.59 -1.85 113.55 113.82 3i7s h SER 48 Ca -0.58 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3i7s h SER 48 Cb 1.37 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.43 3i7s h SER 48 CO 0.60 0.06 0.35 0.00 -0.87 0.00 0.00 176.83 176.97 3i7s h ALA 49 N 1.56 1.61 -0.22 5.18 0.00 -1.88 -3.18 119.26 122.33 3i7s h ALA 49 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3i7s h ALA 49 Cb 1.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3i7s h ALA 49 CO -0.14 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.72 3i7s n THR 50 N -4.45 0.45 -3.79 0.00 -2.24 -0.70 -4.90 114.28 98.64 3i7s n THR 50 Ca 0.05 -0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 3i7s n THR 50 Cb 0.05 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 3i7s n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i7s s LEU 51 N -1.15 4.36 0.91 3.22 1.02 -1.17 -5.04 118.68 120.83 3i7s s LEU 51 Ca 0.24 0.49 -0.13 0.00 0.02 0.00 0.00 54.13 54.75 3i7s s LEU 51 Cb 0.14 -2.15 0.14 0.00 0.02 0.00 0.00 46.19 44.34 3i7s s LEU 51 CO 0.20 0.34 1.18 0.54 0.02 0.00 0.00 176.35 178.64 3i7s s ASN 52 N -0.71 3.60 0.47 2.29 2.20 -1.26 -4.75 114.94 116.79 3i7s s ASN 52 Ca 0.15 0.75 0.16 0.00 -0.94 0.00 0.00 52.86 52.98 3i7s s ASN 52 Cb -0.12 -1.17 1.12 0.00 -2.00 0.00 0.00 41.25 39.07 3i7s s ASN 52 CO 0.04 -2.47 2.04 0.45 -2.94 0.00 0.00 177.10 174.22 3i7s h HIS 53 N -1.45 0.00 -0.11 1.54 3.86 -1.98 0.57 115.15 117.59 3i7s h HIS 53 Ca -0.47 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.63 3i7s h HIS 53 Cb 1.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.78 3i7s h HIS 53 CO -0.13 0.14 -0.33 -0.44 0.86 0.00 0.00 177.93 178.03 3i7s h ASP 54 N 0.00 0.47 -0.74 2.45 3.32 -1.99 -0.09 116.42 119.85 3i7s h ASP 54 Ca -0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 3i7s h ASP 54 Cb 0.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3i7s h ASP 54 CO 0.02 0.99 0.35 -0.33 -1.72 0.00 0.00 179.24 178.55 3i7s h GLU 55 N -0.02 1.06 0.24 3.56 5.08 -1.83 -0.03 114.58 122.65 3i7s h GLU 55 Ca -0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3i7s h GLU 55 Cb 0.95 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3i7s h GLU 55 CO 0.07 0.84 -0.26 1.25 -1.00 0.00 0.00 179.01 179.91 3i7s h HIS 56 N 1.03 -0.68 -0.92 4.33 2.76 -0.89 -0.80 115.15 119.98 3i7s h HIS 56 Ca 0.25 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 3i7s h HIS 56 Cb 0.13 0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 3i7s h HIS 56 CO 0.01 -0.37 0.58 0.00 -1.30 0.00 0.00 177.93 176.85 3i7s h ALA 57 N 0.12 1.29 -0.64 5.26 0.00 -0.50 -2.10 119.26 122.69 3i7s h ALA 57 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i7s h ALA 57 Cb 0.50 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3i7s h ALA 57 CO -0.06 0.63 0.38 -0.44 0.00 0.00 0.00 179.25 179.76 3i7s h ASP 58 N 1.26 0.61 -0.44 0.00 5.19 -0.63 -0.84 116.42 121.58 3i7s h ASP 58 Ca 0.33 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.64 3i7s h ASP 58 Cb -0.10 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 3i7s h ASP 58 CO -0.07 0.42 -0.17 0.58 -3.12 0.00 0.00 179.24 176.88 3i7s h VAL 59 N 0.74 1.27 -0.43 -1.35 2.07 -0.80 0.67 116.25 118.43 3i7s h VAL 59 Ca 0.27 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3i7s h VAL 59 Cb 0.07 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3i7s h VAL 59 CO -0.13 0.46 0.20 0.58 0.02 0.00 0.00 177.57 178.70 3i7s h VAL 60 N 0.82 1.18 -0.04 2.57 2.07 -0.93 0.17 116.25 122.10 3i7s h VAL 60 Ca 0.12 -0.52 -0.21 0.00 0.82 0.00 0.00 66.70 66.90 3i7s h VAL 60 Cb 0.73 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3i7s h VAL 60 CO 0.06 0.20 -0.87 0.24 0.02 0.00 0.00 177.57 177.22 3i7s h MET 61 N 0.56 0.45 -0.53 1.57 2.86 -1.05 -0.70 114.93 118.09 3i7s h MET 61 Ca 0.15 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3i7s h MET 61 Cb 0.13 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3i7s h MET 61 CO -0.02 1.09 0.34 1.98 1.06 0.00 0.00 176.91 181.36 3i7s h MET 62 N 0.28 0.66 -0.77 1.72 -1.53 -0.82 -0.49 114.93 113.99 3i7s h MET 62 Ca -0.06 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 3i7s h MET 62 Cb 1.48 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 32.35 3i7s h MET 62 CO 0.15 0.44 0.37 1.15 0.14 0.00 0.00 176.91 179.16 3i7s h THR 63 N 0.68 1.24 -0.14 -0.77 2.02 -0.64 -0.56 112.91 114.75 3i7s h THR 63 Ca 0.20 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3i7s h THR 63 Cb -0.04 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3i7s h THR 63 CO -0.06 0.29 -0.01 0.25 0.37 0.00 0.00 175.52 176.35 3i7s h LEU 64 N 1.08 0.26 -1.03 2.58 5.85 -0.90 -0.06 115.31 123.08 3i7s h LEU 64 Ca 0.26 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3i7s h LEU 64 Cb 0.12 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3i7s h LEU 64 CO -0.03 0.53 0.65 -0.78 -0.34 0.00 0.00 178.44 178.47 3i7s h ASP 65 N -0.02 1.10 0.55 1.25 3.58 -0.88 -2.16 116.42 119.84 3i7s h ASP 65 Ca 0.04 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 3i7s h ASP 65 Cb 0.41 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3i7s h ASP 65 CO 0.01 0.76 -0.67 -0.07 -2.88 0.00 0.00 179.24 176.39 3i7s h LEU 66 N 1.28 0.12 -1.05 2.28 3.38 -0.93 -2.65 115.31 117.75 3i7s h LEU 66 Ca 0.39 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3i7s h LEU 66 Cb -0.04 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3i7s h LEU 66 CO -0.11 0.76 0.53 0.00 0.09 0.00 0.00 178.44 179.71 3i7s h ALA 67 N 1.24 1.29 -6.25 1.53 0.00 -0.70 -3.47 119.26 112.91 3i7s h ALA 67 Ca -0.01 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.34 3i7s h ALA 67 Cb 1.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3i7s h ALA 67 CO 0.09 0.61 -0.78 -3.47 0.00 0.00 0.00 179.25 175.71 3i7s n ASP 68 N -4.37 -3.72 0.00 0.00 2.03 -0.84 -1.43 116.55 108.22 3i7s n ASP 68 Ca 0.10 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.61 3i7s n ASP 68 Cb 0.06 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 3i7s n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i7s n GLY 69 N -1.68 0.73 0.05 0.27 0.00 -1.26 -4.87 105.19 98.43 3i7s n GLY 69 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i7s n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7s n ARG 70 N -2.00 0.15 -3.64 1.61 1.74 -0.51 -4.86 116.66 109.15 3i7s n ARG 70 Ca 0.00 0.10 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 3i7s n ARG 70 Cb 0.00 -1.65 -0.07 0.00 -1.02 0.00 0.00 32.46 29.72 3i7s n ARG 70 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3i7s s ILE 71 N -3.07 0.00 0.34 0.55 2.07 -1.26 -4.98 121.20 114.85 3i7s s ILE 71 Ca 0.11 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.08 3i7s s ILE 71 Cb 0.15 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 3i7s s ILE 71 CO 0.60 0.00 1.20 -2.84 -1.91 0.00 0.00 174.94 171.99 3i7s s PRO 72 N 0.93 4.33 -0.15 3.50 0.02 -1.26 -4.87 135.00 137.50 3i7s s PRO 72 Ca -0.04 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3i7s s PRO 72 Cb -0.04 -2.96 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3i7s s PRO 72 CO -0.12 -0.12 -0.15 0.08 -0.33 0.00 0.00 177.00 176.36 3i7s s VAL 73 N -1.25 2.74 -0.20 3.83 1.01 -1.26 -0.80 120.40 124.47 3i7s s VAL 73 Ca 0.51 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3i7s s VAL 73 Cb -0.34 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3i7s s VAL 73 CO 0.44 0.52 0.02 -0.63 0.00 0.00 0.00 175.10 175.45 3i7s s ILE 74 N 0.71 4.19 -0.03 2.22 1.01 0.26 -1.49 121.20 128.07 3i7s s ILE 74 Ca -0.07 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3i7s s ILE 74 Cb -0.16 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3i7s s ILE 74 CO 0.02 0.43 0.73 0.00 0.00 0.00 0.00 174.94 176.11 3i7s s ALA 75 N 0.87 3.34 0.04 9.38 0.00 -0.69 0.05 121.76 134.76 3i7s s ALA 75 Ca 0.02 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 3i7s s ALA 75 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 3i7s s ALA 75 CO 0.02 -0.05 1.24 0.20 0.00 0.00 0.00 175.76 177.17 3i7s s GLY 76 N 0.53 2.26 -0.04 0.00 0.00 -0.30 0.00 107.32 109.77 3i7s s GLY 76 Ca 0.38 0.83 0.08 0.00 0.00 0.00 0.00 44.72 46.02 3i7s s GLY 76 CO 0.20 2.15 1.06 -1.30 0.00 0.00 0.00 173.10 175.21 3i7s n THR 77 N 4.13 0.53 -2.16 0.90 -2.24 -0.13 -4.87 114.28 110.45 3i7s n THR 77 Ca 0.10 -0.78 -0.40 0.00 -2.27 0.00 0.00 64.05 60.69 3i7s n THR 77 Cb 0.46 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 3i7s n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i7s s GLY 78 N -1.65 2.98 -0.09 3.38 0.00 -1.25 -4.72 107.32 105.97 3i7s s GLY 78 Ca 0.13 1.19 -0.19 0.00 0.00 0.00 0.00 44.72 45.85 3i7s s GLY 78 CO -0.02 1.81 0.46 0.00 0.00 0.00 0.00 173.10 175.35 3i7s s ALA 79 N -1.19 -1.16 -1.98 3.20 0.00 -1.26 -4.92 121.76 114.44 3i7s s ALA 79 Ca 0.51 0.95 0.29 0.00 0.00 0.00 0.00 51.96 53.71 3i7s s ALA 79 Cb -0.38 -0.28 1.23 0.00 0.00 0.00 0.00 23.12 23.69 3i7s s ALA 79 CO 0.50 -0.27 1.85 0.27 0.00 0.00 0.00 175.76 178.11 3i7s n ASN 80 N 1.80 0.77 -4.43 0.00 6.94 -1.26 -4.48 115.26 114.60 3i7s n ASN 80 Ca -0.18 -0.97 -0.34 0.00 -0.02 0.00 0.00 54.58 53.07 3i7s n ASN 80 Cb 0.56 -0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.84 3i7s n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i7s s ALA 81 N -2.25 2.85 0.23 -2.53 0.00 -1.26 -4.81 121.76 113.99 3i7s s ALA 81 Ca 0.34 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 3i7s s ALA 81 Cb 0.21 -1.48 0.20 0.00 0.00 0.00 0.00 23.12 22.05 3i7s s ALA 81 CO 0.42 0.11 1.89 1.15 0.00 0.00 0.00 175.76 179.33 3i7s h THR 82 N 5.33 1.23 -0.93 0.00 2.02 -1.95 -0.81 112.91 117.79 3i7s h THR 82 Ca -0.31 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 3i7s h THR 82 Cb 1.19 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3i7s h THR 82 CO 0.60 0.23 0.57 0.00 0.37 0.00 0.00 175.52 177.29 3i7s h ALA 83 N 1.30 1.26 -0.19 6.16 0.00 -1.96 -0.84 119.26 124.98 3i7s h ALA 83 Ca 0.31 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3i7s h ALA 83 Cb -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 3i7s h ALA 83 CO -0.06 0.65 -0.53 0.93 0.00 0.00 0.00 179.25 180.24 3i7s h GLU 84 N 1.28 0.54 -0.64 0.00 4.39 -1.77 -1.67 114.58 116.71 3i7s h GLU 84 Ca 0.33 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3i7s h GLU 84 Cb -0.07 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3i7s h GLU 84 CO -0.06 0.94 0.25 0.00 -1.16 0.00 0.00 179.01 178.97 3i7s h ALA 85 N 1.00 0.83 -0.18 3.43 0.00 -0.77 -0.05 119.26 123.51 3i7s h ALA 85 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3i7s h ALA 85 Cb 1.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3i7s h ALA 85 CO 0.10 0.45 0.08 0.82 0.00 0.00 0.00 179.25 180.69 3i7s h ILE 86 N 0.90 1.15 -0.68 0.00 2.04 -1.06 -1.61 117.51 118.26 3i7s h ILE 86 Ca 0.21 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3i7s h ILE 86 Cb 0.21 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3i7s h ILE 86 CO -0.02 0.14 0.19 -1.28 0.00 0.00 0.00 178.15 177.19 3i7s h SER 87 N 0.14 1.00 -0.57 1.72 0.87 -1.13 -1.16 113.55 114.42 3i7s h SER 87 Ca 0.06 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 3i7s h SER 87 Cb 0.16 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3i7s h SER 87 CO -0.01 0.96 0.14 0.25 -0.53 0.00 0.00 176.83 177.64 3i7s h LEU 88 N 0.99 0.86 -0.49 2.23 5.85 -0.92 -3.05 115.31 120.79 3i7s h LEU 88 Ca 0.22 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3i7s h LEU 88 Cb 0.33 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3i7s h LEU 88 CO -0.00 0.87 0.28 0.74 -0.34 0.00 0.00 178.44 179.98 3i7s h THR 89 N 0.81 1.02 -0.04 1.05 2.02 -1.03 -2.62 112.91 114.12 3i7s h THR 89 Ca 0.18 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.18 3i7s h THR 89 Cb 0.34 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3i7s h THR 89 CO 0.00 0.10 0.04 1.56 0.37 0.00 0.00 175.52 177.59 3i7s h GLN 90 N 0.55 0.00 -0.22 6.66 4.20 -1.11 0.04 115.11 125.23 3i7s h GLN 90 Ca 0.20 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.98 3i7s h GLN 90 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3i7s h GLN 90 CO -0.11 0.00 0.17 0.00 -0.67 0.00 0.00 178.83 178.23 3i7s h ARG 91 N 0.00 0.00 -0.27 1.46 3.08 -1.38 -2.84 114.38 114.43 3i7s h ARG 91 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i7s h ARG 91 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3i7s h ARG 91 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3i7s n PHE 92 N -4.29 0.34 -1.95 3.04 0.99 -0.00 -4.88 117.46 110.70 3i7s n PHE 92 Ca 0.02 -0.21 -0.42 0.00 -0.00 0.00 0.00 57.45 56.85 3i7s n PHE 92 Cb 0.32 -0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.77 3i7s n PHE 92 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3i7s s ASN 93 N -1.37 6.58 -1.45 4.37 0.01 -1.07 -2.39 114.94 119.62 3i7s s ASN 93 Ca 0.30 2.71 -0.00 0.00 -0.71 0.00 0.00 52.86 55.16 3i7s s ASN 93 Cb 0.18 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3i7s s ASN 93 CO 0.26 -0.77 0.02 0.47 -1.51 0.00 0.00 177.10 175.56 3i7s n ASP 94 N 2.71 -4.99 -0.02 -1.22 8.00 -1.26 -4.90 116.55 114.87 3i7s n ASP 94 Ca 0.09 0.07 -0.07 0.00 0.71 0.00 0.00 54.79 55.59 3i7s n ASP 94 Cb 0.39 -4.18 -0.13 0.00 -0.02 0.00 0.00 41.12 37.18 3i7s n ASP 94 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i7s n SER 95 N -1.94 0.72 0.00 -2.24 3.41 -1.01 -4.97 113.62 107.60 3i7s n SER 95 Ca -0.20 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3i7s n SER 95 Cb 0.65 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3i7s n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7s n GLY 96 N 1.54 1.81 3.76 5.00 0.00 -1.26 -5.08 105.19 110.96 3i7s n GLY 96 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3i7s n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i7s s ILE 97 N -2.20 2.85 -0.88 -0.61 -4.36 -1.26 -4.80 121.20 109.93 3i7s s ILE 97 Ca 0.00 0.50 0.23 0.00 -0.26 0.00 0.00 60.65 61.13 3i7s s ILE 97 Cb 0.00 -3.17 -0.09 0.00 1.25 0.00 0.00 42.46 40.46 3i7s s ILE 97 CO 0.00 -0.14 1.17 1.33 0.24 0.00 0.00 174.94 177.54 3i7s n VAL 98 N -1.66 0.06 0.00 8.37 0.24 -0.55 -5.01 118.33 119.78 3i7s n VAL 98 Ca 0.13 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3i7s n VAL 98 Cb 0.50 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 3i7s n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i7s n GLY 99 N 1.46 -0.51 3.26 7.63 0.00 -1.26 -4.37 105.19 111.39 3i7s n GLY 99 Ca 0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 3i7s n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7s s LEU 101 N -0.66 4.22 -0.26 0.00 2.96 0.10 -0.92 118.68 124.12 3i7s s LEU 101 Ca 0.09 -0.75 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 3i7s s LEU 101 Cb -0.09 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.70 3i7s s LEU 101 CO -0.00 -0.26 -0.09 0.28 -1.32 0.00 0.00 176.35 174.96 3i7s s THR 102 N 1.55 2.02 0.46 3.68 -1.32 -0.55 -0.95 115.64 120.54 3i7s s THR 102 Ca 0.03 -1.56 -0.22 0.00 -1.21 0.00 0.00 61.69 58.73 3i7s s THR 102 Cb -0.18 -2.18 -0.08 0.00 -1.51 0.00 0.00 72.50 68.55 3i7s s THR 102 CO 0.05 -0.06 1.08 0.54 -2.21 0.00 0.00 174.62 174.02 3i7s s VAL 103 N 1.16 3.52 0.34 5.08 0.11 -1.26 -2.00 120.40 127.36 3i7s s VAL 103 Ca -0.08 1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.74 3i7s s VAL 103 Cb -0.20 -3.49 -0.12 0.00 -1.53 0.00 0.00 36.38 31.05 3i7s s VAL 103 CO -0.05 -0.10 1.42 0.35 -3.33 0.00 0.00 175.10 173.38 3i7s n THR 104 N -0.64 1.81 -1.53 5.04 -2.24 -0.94 -4.51 114.28 111.27 3i7s n THR 104 Ca 0.08 -0.45 -0.53 0.00 -2.27 0.00 0.00 64.05 60.88 3i7s n THR 104 Cb 0.50 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.90 3i7s n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i7s n PRO 105 N 0.80 0.61 -4.03 -0.78 -0.02 -1.26 -4.92 135.00 125.40 3i7s n PRO 105 Ca 0.04 0.22 -0.23 0.00 -2.02 0.00 0.00 63.50 61.51 3i7s n PRO 105 Cb 0.37 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 3i7s n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3i7s s TYR 106 N -0.10 3.30 0.00 6.00 -0.85 -1.26 -4.57 117.35 119.88 3i7s s TYR 106 Ca 0.80 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 57.33 3i7s s TYR 106 Cb -1.03 -1.53 0.00 0.00 0.38 0.00 0.00 41.96 39.79 3i7s s TYR 106 CO 0.53 0.49 0.00 0.98 -1.52 0.00 0.00 175.55 176.04 3i7s n TYR 107 N -0.96 0.00 1.11 -3.49 9.36 0.03 -4.53 117.16 118.68 3i7s n TYR 107 Ca -0.08 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.26 3i7s n TYR 107 Cb 0.56 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.56 3i7s n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3i7s n ASN 108 N 1.84 0.82 -3.61 2.98 0.23 -1.26 -4.99 115.26 111.27 3i7s n ASN 108 Ca 0.00 -0.62 -0.29 0.00 -0.53 0.00 0.00 54.58 53.14 3i7s n ASN 108 Cb 0.00 0.24 0.05 0.00 -2.08 0.00 0.00 39.78 37.99 3i7s n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i7s n ARG 109 N -1.05 -1.46 -0.88 -3.83 1.74 -1.26 -4.95 116.66 104.95 3i7s n ARG 109 Ca 0.09 0.53 -0.31 0.00 -0.77 0.00 0.00 57.85 57.39 3i7s n ARG 109 Cb 0.35 -4.44 0.15 0.00 -1.02 0.00 0.00 32.46 27.49 3i7s n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i7s s PRO 110 N -5.71 1.32 1.02 5.56 0.04 -1.26 -5.04 135.00 130.93 3i7s s PRO 110 Ca 0.46 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 3i7s s PRO 110 Cb -0.15 -1.78 0.20 0.00 0.04 0.00 0.00 34.50 32.82 3i7s s PRO 110 CO 0.84 -2.36 1.13 -1.54 0.04 0.00 0.00 177.00 175.11 3i7s s SER 111 N -2.92 2.51 0.36 6.66 1.04 -1.26 -4.79 113.70 115.29 3i7s s SER 111 Ca 0.65 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.99 3i7s s SER 111 Cb -0.21 -1.34 0.67 0.00 0.10 0.00 0.00 66.02 65.24 3i7s s SER 111 CO 0.58 -3.17 1.95 1.56 0.98 0.00 0.00 173.24 175.14 3i7s h GLN 112 N -1.92 0.60 -0.28 4.02 1.08 -1.96 -0.38 115.11 116.27 3i7s h GLN 112 Ca -0.50 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 56.53 3i7s h GLN 112 Cb 1.31 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3i7s h GLN 112 CO 0.51 0.51 -0.20 1.49 -0.95 0.00 0.00 178.83 180.19 3i7s h GLU 113 N 0.60 0.52 -0.29 1.46 4.57 -1.99 -0.90 114.58 118.55 3i7s h GLU 113 Ca 0.15 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3i7s h GLU 113 Cb 0.14 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3i7s h GLU 113 CO -0.01 0.69 0.11 0.78 -1.18 0.00 0.00 179.01 179.40 3i7s h GLY 114 N 0.98 0.47 1.00 1.92 0.00 -1.55 -0.50 103.07 105.39 3i7s h GLY 114 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3i7s h GLY 114 CO 0.04 0.24 0.23 1.41 0.00 0.00 0.00 176.54 178.46 3i7s h LEU 115 N 0.32 0.41 -0.42 3.11 3.38 -0.89 0.67 115.31 121.89 3i7s h LEU 115 Ca 0.10 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3i7s h LEU 115 Cb 0.19 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3i7s h LEU 115 CO -0.01 0.31 0.10 0.22 0.09 0.00 0.00 178.44 179.15 3i7s h TYR 116 N 0.47 0.16 -0.31 1.13 3.20 -1.05 -0.92 116.97 119.64 3i7s h TYR 116 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3i7s h TYR 116 Cb -0.04 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3i7s h TYR 116 CO -0.05 0.03 -0.19 1.96 -1.64 0.00 0.00 178.16 178.27 3i7s h GLN 117 N 0.23 0.58 0.20 1.82 1.08 -0.76 -1.66 115.11 116.60 3i7s h GLN 117 Ca 0.20 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3i7s h GLN 117 Cb 0.24 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3i7s h GLN 117 CO -0.26 0.74 -0.10 1.25 -0.95 0.00 0.00 178.83 179.51 3i7s h HIS 118 N 0.52 -0.25 -0.07 2.96 2.76 -0.49 -1.71 115.15 118.87 3i7s h HIS 118 Ca 0.08 -0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 58.03 3i7s h HIS 118 Cb 0.62 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3i7s h HIS 118 CO 0.02 0.00 -0.83 0.74 -1.30 0.00 0.00 177.93 176.57 3i7s h PHE 119 N -0.48 0.78 -0.52 5.26 0.05 -1.19 -2.11 116.94 118.73 3i7s h PHE 119 Ca -0.03 -0.37 -0.00 0.00 3.82 0.00 0.00 57.97 61.39 3i7s h PHE 119 Cb 0.36 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.18 3i7s h PHE 119 CO -0.00 1.17 0.31 -0.22 -0.18 0.00 0.00 178.31 179.39 3i7s h LYS 120 N 0.36 0.70 -0.44 1.51 3.64 -1.35 -0.54 116.57 120.46 3i7s h LYS 120 Ca -0.06 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3i7s h LYS 120 Cb 1.44 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3i7s h LYS 120 CO 0.15 0.51 0.22 0.00 -2.27 0.00 0.00 179.45 178.07 3i7s h ALA 121 N 1.15 0.56 -0.01 5.00 0.00 -1.23 -1.67 119.26 123.06 3i7s h ALA 121 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i7s h ALA 121 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3i7s h ALA 121 CO -0.03 0.11 -0.23 0.82 0.00 0.00 0.00 179.25 179.92 3i7s h ILE 122 N 0.57 0.47 -0.68 0.00 2.04 -1.15 -2.56 117.51 116.19 3i7s h ILE 122 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 3i7s h ILE 122 Cb 0.10 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3i7s h ILE 122 CO -0.02 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.58 3i7s h ALA 123 N 0.51 1.99 0.00 1.87 0.00 -0.97 -1.73 119.26 120.93 3i7s h ALA 123 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i7s h ALA 123 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i7s h ALA 123 CO -0.21 -0.14 -0.04 0.93 0.00 0.00 0.00 179.25 179.78 3i7s h GLU 124 N 0.48 0.00 -0.40 0.00 5.08 -0.88 -3.15 114.58 115.70 3i7s h GLU 124 Ca 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 3i7s h GLU 124 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3i7s h GLU 124 CO -0.10 0.04 0.03 0.72 -1.00 0.00 0.00 179.01 178.70 3i7s n HIS 125 N -3.16 1.40 -3.72 4.33 8.25 -0.65 -4.96 115.22 116.71 3i7s n HIS 125 Ca 0.00 -0.97 -0.10 0.00 -0.26 0.00 0.00 57.72 56.40 3i7s n HIS 125 Cb 0.31 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 3i7s n HIS 125 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3i7s s THR 126 N -2.89 0.10 -0.54 1.59 -1.32 -1.19 -4.79 115.64 106.60 3i7s s THR 126 Ca 0.47 -0.79 0.21 0.00 -1.21 0.00 0.00 61.69 60.37 3i7s s THR 126 Cb 0.38 -1.20 -0.28 0.00 -1.51 0.00 0.00 72.50 69.88 3i7s s THR 126 CO 0.10 -0.44 0.70 0.47 -2.21 0.00 0.00 174.62 173.24 3i7s n ASP 127 N -0.09 0.54 -4.76 8.08 8.00 -1.26 -4.93 116.55 122.12 3i7s n ASP 127 Ca -0.16 -0.53 -0.41 0.00 0.71 0.00 0.00 54.79 54.40 3i7s n ASP 127 Cb 0.63 1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 43.18 3i7s n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i7s s LEU 128 N -3.71 4.37 0.37 0.64 1.43 -1.26 -4.99 118.68 115.53 3i7s s LEU 128 Ca 0.00 2.81 -0.27 0.00 -1.03 0.00 0.00 54.13 55.64 3i7s s LEU 128 Cb 0.15 -3.64 -0.11 0.00 0.03 0.00 0.00 46.19 42.62 3i7s s LEU 128 CO 0.88 -0.74 1.33 -2.65 0.23 0.00 0.00 176.35 175.40 3i7s n PRO 129 N 1.57 2.19 -4.59 1.29 -0.02 -1.26 -4.86 135.00 129.31 3i7s n PRO 129 Ca 0.04 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 3i7s n PRO 129 Cb 0.40 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.30 3i7s n PRO 129 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i7s s GLN 130 N -2.02 2.59 -0.25 -0.52 -1.52 0.82 -0.75 119.66 118.01 3i7s s GLN 130 Ca 0.56 -0.70 -0.07 0.00 -1.95 0.00 0.00 55.36 53.20 3i7s s GLN 130 Cb -0.53 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.10 3i7s s GLN 130 CO 0.61 -0.03 0.07 0.42 -0.25 0.00 0.00 175.29 176.11 3i7s s ILE 131 N 0.87 4.27 0.38 1.08 1.01 -0.10 -1.05 121.20 127.66 3i7s s ILE 131 Ca -0.08 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 3i7s s ILE 131 Cb -0.15 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 3i7s s ILE 131 CO -0.01 0.33 1.23 -0.76 0.00 0.00 0.00 174.94 175.74 3i7s s LEU 132 N 1.61 4.27 -0.15 2.97 1.43 -0.21 -1.48 118.68 127.11 3i7s s LEU 132 Ca 0.06 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 3i7s s LEU 132 Cb -0.15 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.21 3i7s s LEU 132 CO 0.03 -0.67 -0.10 -0.47 0.23 0.00 0.00 176.35 175.37 3i7s s TYR 133 N -1.29 1.92 -0.25 0.29 5.04 -0.85 0.75 117.35 122.96 3i7s s TYR 133 Ca 0.55 -1.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.01 3i7s s TYR 133 Cb -0.35 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.52 3i7s s TYR 133 CO 0.45 -0.63 -0.00 1.21 -1.34 0.00 0.00 175.55 175.24 3i7s s ASN 134 N 1.57 4.60 -0.42 4.32 2.47 -0.42 -2.22 114.94 124.85 3i7s s ASN 134 Ca 0.03 -0.58 0.08 0.00 0.42 0.00 0.00 52.86 52.81 3i7s s ASN 134 Cb -0.14 -1.78 0.26 0.00 -1.45 0.00 0.00 41.25 38.15 3i7s s ASN 134 CO -0.09 -0.09 0.67 0.55 -3.72 0.00 0.00 177.10 174.42 3i7s n VAL 135 N 4.80 -0.42 0.13 -5.21 3.14 -1.26 -1.04 118.33 118.47 3i7s n VAL 135 Ca -0.17 -3.27 0.18 0.00 -2.96 0.00 0.00 64.34 58.12 3i7s n VAL 135 Cb 0.49 -0.68 0.76 0.00 -1.06 0.00 0.00 33.84 33.35 3i7s n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3i7s h PRO 136 N 3.85 0.00 0.00 1.45 0.11 -1.93 0.29 132.00 135.76 3i7s h PRO 136 Ca 0.01 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 3i7s h PRO 136 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3i7s h PRO 136 CO 0.41 0.00 -0.29 0.66 -0.21 0.00 0.00 178.00 178.58 3i7s h SER 137 N 0.00 0.00 0.29 -2.05 4.64 -1.95 -1.81 113.55 112.67 3i7s h SER 137 Ca 0.14 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.14 3i7s h SER 137 Cb 0.69 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.72 3i7s h SER 137 CO -0.00 0.29 -1.99 0.54 -0.87 0.00 0.00 176.83 174.79 3i7s n ARG 138 N -3.67 0.66 -0.09 4.77 1.74 0.03 -4.69 116.66 115.41 3i7s n ARG 138 Ca -0.01 0.17 -0.12 0.00 -0.77 0.00 0.00 57.85 57.12 3i7s n ARG 138 Cb 0.40 -1.68 -0.15 0.00 -1.02 0.00 0.00 32.46 30.01 3i7s n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i7s n THR 139 N -2.92 1.45 -0.77 0.55 -2.24 -0.82 -4.78 114.28 104.76 3i7s n THR 139 Ca -0.24 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 3i7s n THR 139 Cb 1.10 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3i7s n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7s n GLY 140 N 1.82 0.72 3.06 3.38 0.00 -0.69 -0.79 105.19 112.69 3i7s n GLY 140 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 3i7s n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7s s ASP 142 N -0.08 3.96 -0.46 0.00 2.15 -1.26 -3.77 116.67 117.21 3i7s s ASP 142 Ca 0.01 -1.04 -0.29 0.00 0.43 0.00 0.00 52.55 51.66 3i7s s ASP 142 Cb -0.07 -1.54 0.02 0.00 -0.30 0.00 0.00 42.92 41.03 3i7s s ASP 142 CO 0.00 -0.11 1.21 -0.22 -0.17 0.00 0.00 175.17 175.88 3i7s s LEU 143 N 1.21 3.62 0.44 -1.34 2.96 -1.26 -4.98 118.68 119.32 3i7s s LEU 143 Ca -0.02 0.55 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 3i7s s LEU 143 Cb -0.17 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 3i7s s LEU 143 CO -0.08 -1.31 0.96 -0.76 -1.32 0.00 0.00 176.35 173.85 3i7s s LEU 144 N 4.72 3.91 0.25 -0.68 1.43 -1.26 -4.89 118.68 122.17 3i7s s LEU 144 Ca 0.51 1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 55.26 3i7s s LEU 144 Cb -0.09 -4.54 0.45 0.00 0.03 0.00 0.00 46.19 42.04 3i7s s LEU 144 CO 0.32 -0.43 1.61 -0.65 0.23 0.00 0.00 176.35 177.43 3i7s h PRO 145 N 1.82 0.05 -0.54 1.29 0.11 -1.95 -0.90 132.00 131.87 3i7s h PRO 145 Ca -0.49 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.70 3i7s h PRO 145 Cb 1.19 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3i7s h PRO 145 CO 0.61 0.03 0.18 1.49 -0.21 0.00 0.00 178.00 180.10 3i7s h GLU 146 N 0.05 0.34 -0.50 1.05 4.81 -1.93 0.12 114.58 118.52 3i7s h GLU 146 Ca 0.43 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.57 3i7s h GLU 146 Cb 0.75 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3i7s h GLU 146 CO -0.77 0.22 0.02 1.15 -0.73 0.00 0.00 179.01 178.90 3i7s h THR 147 N 0.35 1.24 -0.99 0.32 2.02 -1.58 -1.70 112.91 112.57 3i7s h THR 147 Ca 0.27 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.48 3i7s h THR 147 Cb 0.32 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3i7s h THR 147 CO -0.29 0.36 0.65 0.58 0.37 0.00 0.00 175.52 177.19 3i7s h VAL 148 N 0.78 1.19 -0.57 3.16 2.07 -0.38 -1.07 116.25 121.43 3i7s h VAL 148 Ca 0.15 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3i7s h VAL 148 Cb 0.45 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 3i7s h VAL 148 CO 0.02 0.23 0.35 1.23 0.02 0.00 0.00 177.57 179.42 3i7s h GLY 149 N 1.27 0.81 0.84 2.17 0.00 0.05 0.80 103.07 109.01 3i7s h GLY 149 Ca 0.39 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3i7s h GLY 149 CO -0.11 0.23 0.08 3.21 0.00 0.00 0.00 176.54 179.94 3i7s h ARG 150 N 0.69 0.17 0.00 4.80 3.08 -0.92 -3.14 114.38 119.06 3i7s h ARG 150 Ca 0.23 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3i7s h ARG 150 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3i7s h ARG 150 CO -0.09 0.11 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.35 3i7s h LEU 151 N 0.18 0.00 -1.49 3.04 3.38 -0.88 -2.83 115.31 116.70 3i7s h LEU 151 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i7s h LEU 151 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i7s h LEU 151 CO -0.09 0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3i7s h ALA 152 N 1.50 1.00 -0.01 1.53 0.00 -0.79 -1.66 119.26 120.83 3i7s h ALA 152 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i7s h ALA 152 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i7s h ALA 152 CO 0.07 0.00 -0.20 0.36 0.00 0.00 0.00 179.25 179.48 3i7s n LYS 153 N -2.39 0.99 -2.30 0.00 2.85 -1.07 -4.81 118.16 111.43 3i7s n LYS 153 Ca -0.01 -0.57 -0.41 0.00 -1.05 0.00 0.00 58.31 56.27 3i7s n LYS 153 Cb 0.09 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 3i7s n LYS 153 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i7s s VAL 154 N -2.40 3.38 0.16 0.58 1.01 -0.63 -4.96 120.40 117.55 3i7s s VAL 154 Ca 0.27 1.16 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 3i7s s VAL 154 Cb 0.20 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.91 3i7s s VAL 154 CO 0.48 0.18 1.64 0.07 0.00 0.00 0.00 175.10 177.48 3i7s h LYS 155 N 5.25 -0.13 -0.61 2.72 -0.00 -1.88 -2.93 116.57 118.99 3i7s h LYS 155 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 3i7s h LYS 155 Cb 1.21 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 3i7s h LYS 155 CO 0.75 -0.09 0.00 0.27 -0.00 0.00 0.00 179.45 180.39 3i7s n ASN 156 N -5.36 3.53 -4.57 7.07 6.94 -1.26 -4.75 115.26 116.87 3i7s n ASN 156 Ca 0.01 -2.16 -0.41 0.00 -0.02 0.00 0.00 54.58 52.00 3i7s n ASN 156 Cb 0.27 -0.45 -0.07 0.00 -2.36 0.00 0.00 39.78 37.16 3i7s n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3i7s s ILE 157 N -1.46 4.99 0.00 1.53 1.01 -1.11 -0.12 121.20 126.04 3i7s s ILE 157 Ca 0.41 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.51 3i7s s ILE 157 Cb 0.23 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3i7s s ILE 157 CO 0.24 -0.21 0.00 2.30 0.00 0.00 0.00 174.94 177.27 3i7s n ILE 158 N 5.44 0.00 -3.78 2.92 -6.64 -0.22 -4.76 119.36 112.32 3i7s n ILE 158 Ca -0.04 -0.40 -0.04 0.00 -1.77 0.00 0.00 62.75 60.50 3i7s n ILE 158 Cb 0.49 0.93 -0.01 0.00 -1.44 0.00 0.00 39.64 39.61 3i7s n ILE 158 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3i7s s GLY 159 N -1.04 -0.17 -0.01 3.28 0.00 -1.23 -0.62 107.32 107.53 3i7s s GLY 159 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.79 3i7s s GLY 159 CO 0.00 0.24 -0.16 -1.50 0.00 0.00 0.00 173.10 171.68 3i7s s ILE 160 N -3.16 1.27 -0.25 0.90 2.07 0.40 -1.04 121.20 121.39 3i7s s ILE 160 Ca 0.13 -0.69 -0.10 0.00 -1.41 0.00 0.00 60.65 58.59 3i7s s ILE 160 Cb -0.02 -1.06 -0.04 0.00 0.13 0.00 0.00 42.46 41.46 3i7s s ILE 160 CO 0.03 0.36 0.14 0.00 -1.91 0.00 0.00 174.94 173.56 3i7s s ARG 161 N -0.35 3.94 -0.30 3.50 1.70 0.23 -0.68 118.95 126.99 3i7s s ARG 161 Ca 0.05 -0.34 -0.04 0.00 -0.47 0.00 0.00 55.73 54.94 3i7s s ARG 161 Cb -0.07 -3.49 0.03 0.00 -0.57 0.00 0.00 34.95 30.86 3i7s s ARG 161 CO -0.00 -0.04 0.03 -1.21 -1.08 0.00 0.00 175.30 173.00 3i7s s GLU 162 N 1.31 2.68 0.00 3.89 0.41 0.23 -1.30 118.70 125.92 3i7s s GLU 162 Ca 0.06 -1.11 0.21 0.00 -0.41 0.00 0.00 54.97 53.73 3i7s s GLU 162 Cb -0.14 -3.26 0.32 0.00 -1.78 0.00 0.00 34.13 29.27 3i7s s GLU 162 CO 0.06 -0.56 1.29 0.00 -0.49 0.00 0.00 175.26 175.56 3i7s n ALA 163 N 4.73 2.42 0.24 5.21 0.00 -0.20 -0.13 120.51 132.78 3i7s n ALA 163 Ca -0.14 -0.89 0.10 0.00 0.00 0.00 0.00 53.44 52.51 3i7s n ALA 163 Cb 0.45 -0.77 0.62 0.00 0.00 0.00 0.00 19.45 19.75 3i7s n ALA 163 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3i7s h THR 164 N 4.09 0.73 -0.26 0.00 1.35 -1.92 -3.42 112.91 113.48 3i7s h THR 164 Ca 0.00 -0.72 -0.11 0.00 -0.55 0.00 0.00 66.41 65.03 3i7s h THR 164 Cb 0.91 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.73 3i7s h THR 164 CO 0.00 0.17 -0.10 0.61 -0.25 0.00 0.00 175.52 175.95 3i7s n GLY 165 N -0.59 0.75 3.39 5.82 0.00 -1.26 -4.97 105.19 108.33 3i7s n GLY 165 Ca -0.02 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 3i7s n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7s s ASN 166 N -2.51 6.59 0.65 1.61 3.84 -1.26 -4.91 114.94 118.95 3i7s s ASN 166 Ca 0.00 -2.15 0.43 0.00 0.21 0.00 0.00 52.86 51.35 3i7s s ASN 166 Cb 0.00 -2.31 2.26 0.00 -0.55 0.00 0.00 41.25 40.64 3i7s s ASN 166 CO 0.00 -0.90 2.31 -0.07 -2.79 0.00 0.00 177.10 175.65 3i7s h LEU 167 N 9.40 0.00 -2.14 3.21 3.38 -1.98 -0.69 115.31 126.49 3i7s h LEU 167 Ca 0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3i7s h LEU 167 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3i7s h LEU 167 CO 0.98 0.00 0.19 0.74 0.09 0.00 0.00 178.44 180.45 3i7s h THR 168 N 0.00 0.63 0.00 0.22 2.02 -2.02 -2.92 112.91 110.84 3i7s h THR 168 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 3i7s h THR 168 Cb 0.08 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3i7s h THR 168 CO 0.00 0.00 -0.38 0.03 0.37 0.00 0.00 175.52 175.54 3i7s h ARG 169 N 0.00 0.00 -0.06 6.66 2.47 -1.55 -2.96 114.38 118.94 3i7s h ARG 169 Ca 0.10 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.86 3i7s h ARG 169 Cb 0.49 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 3i7s h ARG 169 CO -0.00 0.38 -0.28 0.28 0.56 0.00 0.00 179.97 180.91 3i7s h VAL 170 N 0.00 0.36 0.00 2.04 2.07 -1.73 -1.11 116.25 117.88 3i7s h VAL 170 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3i7s h VAL 170 Cb 0.80 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3i7s h VAL 170 CO 0.05 0.00 -0.48 0.78 0.02 0.00 0.00 177.57 177.94 3i7s h ASN 171 N -0.39 0.00 -0.50 0.57 2.35 -1.77 -0.38 115.58 115.46 3i7s h ASN 171 Ca 0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3i7s h ASN 171 Cb 0.51 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 3i7s h ASN 171 CO -0.28 0.14 0.13 1.56 -1.65 0.00 0.00 177.43 177.33 3i7s h GLN 172 N 0.00 0.79 -0.00 0.81 4.20 -1.37 -2.38 115.11 117.16 3i7s h GLN 172 Ca -0.02 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3i7s h GLN 172 Cb 1.12 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3i7s h GLN 172 CO 0.02 0.76 -0.02 0.82 -0.67 0.00 0.00 178.83 179.73 3i7s h ILE 173 N 0.68 1.54 -0.94 2.54 2.04 -1.18 -3.27 117.51 118.92 3i7s h ILE 173 Ca 0.16 -1.62 0.26 0.00 1.00 0.00 0.00 64.86 64.65 3i7s h ILE 173 Cb 0.32 2.62 -0.14 0.00 -0.74 0.00 0.00 36.82 38.89 3i7s h ILE 173 CO 0.00 0.42 0.45 0.11 0.00 0.00 0.00 178.15 179.13 3i7s h LYS 174 N -0.65 0.36 0.00 2.37 1.57 -1.10 -1.27 116.57 117.85 3i7s h LYS 174 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i7s h LYS 174 Cb 0.71 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3i7s h LYS 174 CO 0.00 0.24 0.00 1.49 -0.57 0.00 0.00 179.45 180.61 3i7s h GLU 175 N 0.37 0.00 -0.00 3.15 4.57 -1.47 -3.03 114.58 118.17 3i7s h GLU 175 Ca 0.63 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 3i7s h GLU 175 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3i7s h GLU 175 CO -0.57 0.00 -0.24 1.28 -1.18 0.00 0.00 179.01 178.30 3i7s n LEU 176 N -2.98 0.75 -4.53 1.64 4.77 -0.51 -5.03 117.00 111.11 3i7s n LEU 176 Ca -0.01 -0.65 -0.26 0.00 -0.03 0.00 0.00 56.01 55.06 3i7s n LEU 176 Cb 0.15 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3i7s n LEU 176 CO 0.22 0.16 -0.38 0.68 -1.33 0.00 0.00 177.39 176.74 3i7s s VAL 177 N -1.39 2.17 0.71 4.08 -7.23 -1.02 -4.76 120.40 112.97 3i7s s VAL 177 Ca 0.05 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 57.86 3i7s s VAL 177 Cb 0.06 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.39 3i7s s VAL 177 CO 0.24 -0.21 1.26 -0.24 -0.31 0.00 0.00 175.10 175.85 3i7s n SER 178 N -0.77 1.68 0.21 4.85 2.88 -1.26 -4.90 113.62 116.30 3i7s n SER 178 Ca -0.05 0.73 0.15 0.00 -1.33 0.00 0.00 58.87 58.37 3i7s n SER 178 Cb 0.64 -1.54 0.65 0.00 -0.75 0.00 0.00 64.21 63.20 3i7s n SER 178 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3i7s h ASP 179 N -0.04 0.00 0.05 -3.46 1.82 -2.01 -2.37 116.42 110.40 3i7s h ASP 179 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3i7s h ASP 179 Cb 1.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.33 3i7s h ASP 179 CO 0.50 0.00 -0.12 -0.90 -1.61 0.00 0.00 179.24 177.11 3i7s n ASP 180 N -2.63 1.74 -4.71 2.28 5.68 -1.26 -4.90 116.55 112.74 3i7s n ASP 180 Ca 0.01 -1.45 -0.42 0.00 -0.50 0.00 0.00 54.79 52.43 3i7s n ASP 180 Cb 0.22 0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 3i7s n ASP 180 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3i7s s PHE 181 N -2.18 3.23 -0.10 2.11 5.36 -0.90 -4.96 117.98 120.54 3i7s s PHE 181 Ca 0.30 0.95 -0.15 0.00 -0.96 0.00 0.00 56.93 57.07 3i7s s PHE 181 Cb 0.20 -3.68 -0.05 0.00 -0.34 0.00 0.00 43.02 39.15 3i7s s PHE 181 CO 0.40 -2.38 0.37 0.08 -1.46 0.00 0.00 175.22 172.23 3i7s s VAL 182 N 1.15 5.21 -0.22 3.12 1.01 0.21 -4.95 120.40 125.93 3i7s s VAL 182 Ca 0.65 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.35 3i7s s VAL 182 Cb -0.37 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3i7s s VAL 182 CO 0.30 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.95 3i7s s LEU 183 N 0.03 2.83 -0.04 3.92 1.43 -1.26 -0.46 118.68 125.13 3i7s s LEU 183 Ca 0.21 -0.91 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 3i7s s LEU 183 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3i7s s LEU 183 CO 0.08 -0.09 -0.21 -0.76 0.23 0.00 0.00 176.35 175.60 3i7s s LEU 184 N 1.26 2.33 0.33 1.79 1.43 0.15 -0.04 118.68 125.92 3i7s s LEU 184 Ca -0.00 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 3i7s s LEU 184 Cb -0.16 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.53 3i7s s LEU 184 CO -0.08 0.31 1.08 -0.55 0.23 0.00 0.00 176.35 177.34 3i7s s SER 185 N -0.55 7.05 -0.15 2.29 0.15 -0.19 -0.60 113.70 121.70 3i7s s SER 185 Ca 0.08 2.18 0.16 0.00 0.70 0.00 0.00 55.95 59.07 3i7s s SER 185 Cb -0.11 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.04 3i7s s SER 185 CO 0.00 -0.29 1.34 0.61 1.20 0.00 0.00 173.24 176.10 3i7s n GLY 186 N 0.86 4.05 2.63 9.45 0.00 0.81 -1.09 105.19 121.90 3i7s n GLY 186 Ca 0.01 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 3i7s n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i7s s ASP 187 N -2.00 3.77 0.26 1.61 2.15 -1.26 -4.64 116.67 116.55 3i7s s ASP 187 Ca 0.37 -1.48 -0.05 0.00 0.43 0.00 0.00 52.55 51.82 3i7s s ASP 187 Cb 0.30 -0.60 0.51 0.00 -0.30 0.00 0.00 42.92 42.83 3i7s s ASP 187 CO 0.08 -0.42 1.63 0.44 -0.17 0.00 0.00 175.17 176.72 3i7s h ASP 188 N 8.22 -0.32 0.39 -0.34 3.32 -1.88 -0.86 116.42 124.94 3i7s h ASP 188 Ca -0.16 0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3i7s h ASP 188 Cb 1.01 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3i7s h ASP 188 CO 0.45 -0.20 -0.19 0.00 -1.72 0.00 0.00 179.24 177.59 3i7s h ALA 189 N 1.76 1.34 -0.10 3.45 0.00 -1.96 -2.79 119.26 120.96 3i7s h ALA 189 Ca 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i7s h ALA 189 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i7s h ALA 189 CO -0.70 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 177.65 3i7s n SER 190 N -3.80 2.35 -0.26 0.00 3.41 -0.44 -4.73 113.62 110.15 3i7s n SER 190 Ca -0.02 -1.66 -0.01 0.00 -0.26 0.00 0.00 58.87 56.92 3i7s n SER 190 Cb 0.29 -0.05 0.18 0.00 -0.26 0.00 0.00 64.21 64.36 3i7s n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7s h ALA 191 N 2.71 1.33 -0.37 7.33 0.00 -0.98 0.15 119.26 129.43 3i7s h ALA 191 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3i7s h ALA 191 Cb 0.62 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i7s h ALA 191 CO 0.00 0.57 -0.29 1.25 0.00 0.00 0.00 179.25 180.78 3i7s h LEU 192 N 1.11 0.90 -0.53 0.00 5.85 -1.85 -0.99 115.31 119.80 3i7s h LEU 192 Ca 0.29 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3i7s h LEU 192 Cb -0.03 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 3i7s h LEU 192 CO -0.05 1.16 0.23 0.44 -0.34 0.00 0.00 178.44 179.87 3i7s h ASP 193 N 0.65 0.28 -0.94 1.25 3.32 -1.74 0.18 116.42 119.43 3i7s h ASP 193 Ca 0.07 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.26 3i7s h ASP 193 Cb 0.87 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 3i7s h ASP 193 CO 0.08 0.19 0.58 0.15 -1.72 0.00 0.00 179.24 178.51 3i7s h PHE 194 N 0.44 1.06 0.07 4.55 3.57 -0.43 -1.71 116.94 124.48 3i7s h PHE 194 Ca 0.25 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.52 3i7s h PHE 194 Cb 0.23 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.64 3i7s h PHE 194 CO -0.14 0.47 -1.10 0.52 -2.23 0.00 0.00 178.31 175.83 3i7s h MET 195 N 0.98 0.43 -0.02 1.11 2.86 -0.34 -0.72 114.93 119.23 3i7s h MET 195 Ca 0.44 -0.55 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3i7s h MET 195 Cb 0.34 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3i7s h MET 195 CO -0.23 1.21 0.01 0.37 1.06 0.00 0.00 176.91 179.33 3i7s h GLN 196 N 0.20 0.00 -0.00 1.72 4.15 -0.18 -1.31 115.11 119.70 3i7s h GLN 196 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3i7s h GLN 196 Cb 1.77 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.46 3i7s h GLN 196 CO 0.19 0.00 -0.04 1.28 -1.93 0.00 0.00 178.83 178.33 3i7s n LEU 197 N -4.43 0.14 0.00 -2.39 4.77 -0.69 -4.87 117.00 109.53 3i7s n LEU 197 Ca -0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3i7s n LEU 197 Cb 0.11 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3i7s n LEU 197 CO 0.33 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3i7s n GLY 198 N 1.30 0.86 3.72 -0.72 0.00 -0.50 -4.77 105.19 105.08 3i7s n GLY 198 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3i7s n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i7s s GLY 199 N -0.11 2.29 -0.00 -0.02 0.00 -0.29 -4.92 107.32 104.28 3i7s s GLY 199 Ca 0.00 0.84 0.18 0.00 0.00 0.00 0.00 44.72 45.74 3i7s s GLY 199 CO 0.00 1.24 0.77 1.42 0.00 0.00 0.00 173.10 176.53 3i7s n HIS 200 N -2.79 0.00 -3.51 1.90 8.25 0.95 -4.52 115.22 115.49 3i7s n HIS 200 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3i7s n HIS 200 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3i7s n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i7s n GLY 201 N 1.44 -0.90 2.97 -1.41 0.00 -1.20 -2.30 105.19 103.78 3i7s n GLY 201 Ca 0.03 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 3i7s n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7s s VAL 202 N -3.00 -0.01 -0.48 1.61 0.11 -0.63 -1.02 120.40 116.98 3i7s s VAL 202 Ca 0.00 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.91 3i7s s VAL 202 Cb 0.00 -0.16 0.07 0.00 -1.53 0.00 0.00 36.38 34.76 3i7s s VAL 202 CO 0.00 0.01 0.46 -0.63 -3.33 0.00 0.00 175.10 171.61 3i7s s ILE 203 N 0.20 5.14 -0.07 7.04 1.01 -0.25 -0.31 121.20 133.96 3i7s s ILE 203 Ca -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 3i7s s ILE 203 Cb -0.02 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3i7s s ILE 203 CO -0.01 -0.65 -0.03 -0.55 0.00 0.00 0.00 174.94 173.71 3i7s s SER 204 N 2.64 4.94 -0.05 3.58 0.15 0.28 -4.57 113.70 120.68 3i7s s SER 204 Ca 0.07 0.05 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 3i7s s SER 204 Cb -0.23 -1.31 -0.31 0.00 -1.71 0.00 0.00 66.02 62.46 3i7s s SER 204 CO 0.08 0.36 0.71 0.58 1.20 0.00 0.00 173.24 176.17 3i7s h VAL 205 N 4.12 1.04 -0.63 4.45 2.07 -1.87 -0.28 116.25 125.15 3i7s h VAL 205 Ca -0.50 -2.52 0.12 0.00 0.82 0.00 0.00 66.70 64.62 3i7s h VAL 205 Cb 1.18 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 33.74 3i7s h VAL 205 CO 0.54 0.81 0.43 0.74 0.02 0.00 0.00 177.57 180.10 3i7s h THR 206 N -0.00 0.85 0.00 2.57 2.02 -1.94 -2.36 112.91 114.04 3i7s h THR 206 Ca -0.31 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3i7s h THR 206 Cb 2.01 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3i7s h THR 206 CO 0.17 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.12 3i7s n ALA 207 N -2.53 1.24 0.07 6.16 0.00 -1.26 -2.25 120.51 121.93 3i7s n ALA 207 Ca 0.11 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.66 3i7s n ALA 207 Cb 0.44 -1.24 0.37 0.00 0.00 0.00 0.00 19.45 19.02 3i7s n ALA 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i7s h ASN 208 N 0.00 0.34 0.00 0.00 2.35 -1.66 -3.03 115.58 113.58 3i7s h ASN 208 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3i7s h ASN 208 Cb 0.11 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3i7s h ASN 208 CO 0.00 0.43 0.00 1.33 -1.65 0.00 0.00 177.43 177.54 3i7s n VAL 209 N -4.31 0.01 -2.71 2.81 0.24 -0.95 -4.74 118.33 108.67 3i7s n VAL 209 Ca 0.00 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.34 61.84 3i7s n VAL 209 Cb 0.23 1.19 0.06 0.00 -1.47 0.00 0.00 33.84 33.85 3i7s n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7s n ALA 210 N -0.00 2.78 -0.25 2.33 0.00 -0.98 -4.98 120.51 119.40 3i7s n ALA 210 Ca 0.00 -2.53 -0.06 0.00 0.00 0.00 0.00 53.44 50.86 3i7s n ALA 210 Cb 0.05 -0.93 0.08 0.00 0.00 0.00 0.00 19.45 18.66 3i7s n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i7s h ALA 211 N 2.55 1.03 0.35 0.00 0.00 -1.77 -1.69 119.26 119.74 3i7s h ALA 211 Ca -0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i7s h ALA 211 Cb 1.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i7s h ALA 211 CO 0.26 0.65 -0.18 -0.09 0.00 0.00 0.00 179.25 179.89 3i7s h ARG 212 N 1.08 -0.47 -0.51 0.00 9.65 -1.89 -0.81 114.38 121.43 3i7s h ARG 212 Ca 0.24 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 3i7s h ARG 212 Cb 0.29 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 3i7s h ARG 212 CO -0.01 -0.31 0.22 -0.44 2.80 0.00 0.00 179.97 182.23 3i7s h ASP 213 N -0.49 0.68 -0.46 -3.80 3.32 -1.85 -1.46 116.42 112.36 3i7s h ASP 213 Ca -0.04 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3i7s h ASP 213 Cb 0.39 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3i7s h ASP 213 CO 0.06 0.64 0.28 0.24 -1.72 0.00 0.00 179.24 178.74 3i7s h MET 214 N 0.68 0.63 -0.50 3.56 2.86 -1.29 0.57 114.93 121.44 3i7s h MET 214 Ca 0.17 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3i7s h MET 214 Cb 0.16 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 3i7s h MET 214 CO -0.02 0.47 0.27 0.00 1.06 0.00 0.00 176.91 178.69 3i7s h ALA 215 N 1.13 0.64 -0.35 6.32 0.00 -0.90 -1.85 119.26 124.24 3i7s h ALA 215 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i7s h ALA 215 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i7s h ALA 215 CO -0.03 -0.06 0.13 0.37 0.00 0.00 0.00 179.25 179.65 3i7s h GLN 216 N 0.53 0.53 -0.77 0.00 5.75 -0.98 -2.41 115.11 117.76 3i7s h GLN 216 Ca 0.21 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3i7s h GLN 216 Cb 0.09 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3i7s h GLN 216 CO -0.13 0.54 0.48 1.98 -2.65 0.00 0.00 178.83 179.04 3i7s h MET 217 N 0.41 1.04 -0.01 1.69 4.05 -0.60 -1.62 114.93 119.89 3i7s h MET 217 Ca 0.11 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 3i7s h MET 217 Cb 0.21 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3i7s h MET 217 CO -0.01 0.72 -0.46 0.00 0.23 0.00 0.00 176.91 177.39 3i7s h LYS 219 N 0.02 -0.13 -0.77 0.00 3.64 -0.95 -1.59 116.57 116.78 3i7s h LYS 219 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3i7s h LYS 219 Cb 0.82 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.61 3i7s h LYS 219 CO 0.06 0.16 0.44 -0.07 -2.27 0.00 0.00 179.45 177.77 3i7s h LEU 220 N -0.41 0.64 0.03 5.20 3.38 -1.27 -1.44 115.31 121.44 3i7s h LEU 220 Ca -0.01 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i7s h LEU 220 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3i7s h LEU 220 CO 0.02 0.39 -0.10 0.00 0.09 0.00 0.00 178.44 178.84 3i7s h ALA 221 N 1.41 -0.13 -0.05 1.53 0.00 -1.30 0.16 119.26 120.87 3i7s h ALA 221 Ca 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3i7s h ALA 221 Cb 0.28 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i7s h ALA 221 CO -0.22 -0.60 0.03 0.00 0.00 0.00 0.00 179.25 178.46 3i7s h ALA 222 N 0.76 2.00 -0.00 0.00 0.00 -0.86 0.71 119.26 121.86 3i7s h ALA 222 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i7s h ALA 222 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i7s h ALA 222 CO -0.08 -0.01 -0.14 0.39 0.00 0.00 0.00 179.25 179.41 3i7s n GLU 223 N -4.53 0.71 -0.93 0.00 1.02 -0.58 -4.94 120.64 111.39 3i7s n GLU 223 Ca -0.02 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 3i7s n GLU 223 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3i7s n GLU 223 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7s n GLY 224 N 1.29 0.52 3.05 0.62 0.00 0.24 -4.97 105.19 105.94 3i7s n GLY 224 Ca 0.14 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i7s n GLY 224 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i7s n HIS 225 N -2.93 3.66 0.06 1.61 8.25 -0.05 -4.79 115.22 121.02 3i7s n HIS 225 Ca 0.00 -2.96 -0.14 0.00 -0.26 0.00 0.00 57.72 54.36 3i7s n HIS 225 Cb 0.00 -2.16 -0.05 0.00 1.12 0.00 0.00 29.99 28.91 3i7s n HIS 225 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i7s h PHE 226 N 6.26 0.69 -0.83 4.41 -1.00 -1.89 -2.18 116.94 122.41 3i7s h PHE 226 Ca 0.41 -0.36 0.07 0.00 2.81 0.00 0.00 57.97 60.90 3i7s h PHE 226 Cb 0.71 -0.08 -0.06 0.00 3.61 0.00 0.00 35.95 40.12 3i7s h PHE 226 CO 1.26 1.18 0.50 0.00 -1.61 0.00 0.00 178.31 179.64 3i7s h ALA 227 N 0.71 1.14 -0.08 2.45 0.00 -1.97 0.21 119.26 121.72 3i7s h ALA 227 Ca -0.08 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 3i7s h ALA 227 Cb 1.55 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 19.16 3i7s h ALA 227 CO 0.16 0.20 -0.91 0.93 0.00 0.00 0.00 179.25 179.64 3i7s h GLU 228 N 0.89 0.76 -0.94 0.00 3.07 -1.96 -3.00 114.58 113.39 3i7s h GLU 228 Ca 0.37 -0.71 0.03 0.00 -0.50 0.00 0.00 59.36 58.56 3i7s h GLU 228 Cb 0.22 0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.26 3i7s h GLU 228 CO -0.19 1.29 0.62 0.00 -1.40 0.00 0.00 179.01 179.33 3i7s h ALA 229 N 0.48 1.38 -0.35 3.43 0.00 -0.94 -2.52 119.26 120.74 3i7s h ALA 229 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i7s h ALA 229 Cb 1.55 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i7s h ALA 229 CO 0.18 0.54 0.06 0.00 0.00 0.00 0.00 179.25 180.03 3i7s h ARG 230 N 1.21 0.52 -0.46 0.00 3.08 -0.92 -1.08 114.38 116.73 3i7s h ARG 230 Ca 0.37 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.39 3i7s h ARG 230 Cb -0.02 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 3i7s h ARG 230 CO -0.11 0.50 0.16 0.28 -1.07 0.00 0.00 179.97 179.74 3i7s h VAL 231 N 0.50 0.85 -0.22 2.04 2.07 -1.30 -1.21 116.25 118.98 3i7s h VAL 231 Ca 0.12 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3i7s h VAL 231 Cb 0.24 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3i7s h VAL 231 CO 0.00 0.06 0.07 0.40 0.02 0.00 0.00 177.57 178.12 3i7s h ILE 232 N 0.33 1.19 -0.92 4.57 2.04 -1.37 -2.86 117.51 120.49 3i7s h ILE 232 Ca 0.21 -0.59 0.11 0.00 1.00 0.00 0.00 64.86 65.60 3i7s h ILE 232 Cb 0.21 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 3i7s h ILE 232 CO -0.22 0.19 0.55 -1.13 0.00 0.00 0.00 178.15 177.54 3i7s h ASN 233 N 0.19 0.79 -0.06 1.72 -1.24 -0.96 -0.70 115.58 115.32 3i7s h ASN 233 Ca 0.07 0.05 -0.09 0.00 0.71 0.00 0.00 56.30 57.05 3i7s h ASN 233 Cb 0.23 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3i7s h ASN 233 CO -0.00 0.42 -0.22 1.56 -1.29 0.00 0.00 177.43 177.90 3i7s h GLN 234 N 0.88 0.46 -0.51 6.67 1.08 -1.10 0.39 115.11 122.98 3i7s h GLN 234 Ca 0.46 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.46 3i7s h GLN 234 Cb 0.46 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3i7s h GLN 234 CO -0.27 0.66 0.18 -0.09 -0.95 0.00 0.00 178.83 178.35 3i7s h ARG 235 N 0.42 0.78 0.00 1.46 2.43 -1.12 -3.20 114.38 115.14 3i7s h ARG 235 Ca 0.07 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3i7s h ARG 235 Cb 0.61 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3i7s h ARG 235 CO 0.04 0.71 -0.25 1.28 -1.51 0.00 0.00 179.97 180.24 3i7s n LEU 236 N -4.51 0.54 -0.17 3.80 4.77 -0.35 -3.83 117.00 117.25 3i7s n LEU 236 Ca 0.02 0.37 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 3i7s n LEU 236 Cb 0.18 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3i7s n LEU 236 CO 0.39 -0.05 0.94 -0.03 -1.33 0.00 0.00 177.39 177.30 3i7s h MET 237 N 0.00 0.29 -0.56 3.23 4.05 -0.25 0.34 114.93 122.03 3i7s h MET 237 Ca 0.00 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.51 3i7s h MET 237 Cb 0.64 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 3i7s h MET 237 CO 0.00 0.19 0.38 -1.35 0.23 0.00 0.00 176.91 176.36 3i7s h PRO 238 N 0.30 0.31 -0.09 0.39 0.11 -1.79 -1.67 132.00 129.57 3i7s h PRO 238 Ca 0.26 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 3i7s h PRO 238 Cb 0.32 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3i7s h PRO 238 CO -0.30 0.21 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.53 3i7s h LEU 239 N 0.32 0.24 -1.98 2.35 3.38 -0.66 0.16 115.31 119.12 3i7s h LEU 239 Ca 0.26 -0.50 0.25 0.00 0.09 0.00 0.00 57.88 57.99 3i7s h LEU 239 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3i7s h LEU 239 CO -0.06 0.69 0.65 0.45 0.09 0.00 0.00 178.44 180.26 3i7s h HIS 240 N -0.20 0.00 0.00 1.13 3.86 -0.29 -1.39 115.15 118.26 3i7s h HIS 240 Ca 0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.05 3i7s h HIS 240 Cb 0.62 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 3i7s h HIS 240 CO 0.09 0.00 -1.29 0.09 0.86 0.00 0.00 177.93 177.68 3i7s n ASN 241 N -4.20 1.88 0.08 2.45 3.02 -0.70 -4.43 115.26 113.37 3i7s n ASN 241 Ca 0.18 0.45 0.11 0.00 -0.03 0.00 0.00 54.58 55.29 3i7s n ASN 241 Cb 0.96 -0.87 0.44 0.00 -0.61 0.00 0.00 39.78 39.71 3i7s n ASN 241 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i7s n LYS 242 N -4.45 0.14 0.00 3.52 4.76 0.55 -1.48 118.16 121.19 3i7s n LYS 242 Ca -0.27 0.30 0.09 0.00 -2.87 0.00 0.00 58.31 55.57 3i7s n LYS 242 Cb 0.58 -1.73 0.49 0.00 -1.84 0.00 0.00 35.03 32.53 3i7s n LYS 242 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i7s n LEU 243 N -1.99 0.00 -0.41 -0.35 4.77 -0.54 -2.01 117.00 116.47 3i7s n LEU 243 Ca 0.03 0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 3i7s n LEU 243 Cb 0.26 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 3i7s n LEU 243 CO 0.21 -0.08 0.62 0.49 -1.33 0.00 0.00 177.39 177.29 3i7s n PHE 244 N -1.22 0.39 0.22 -1.77 3.01 -0.55 -4.43 117.46 113.11 3i7s n PHE 244 Ca 0.10 -0.88 0.07 0.00 1.01 0.00 0.00 57.45 57.75 3i7s n PHE 244 Cb 0.13 -0.20 0.52 0.00 -0.01 0.00 0.00 39.48 39.92 3i7s n PHE 244 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i7s h VAL 245 N 0.81 0.98 -3.16 -4.37 3.04 -1.50 -3.42 116.25 108.63 3i7s h VAL 245 Ca 0.00 -0.85 -0.40 0.00 -1.01 0.00 0.00 66.70 64.44 3i7s h VAL 245 Cb 1.11 1.48 -0.14 0.00 -2.01 0.00 0.00 31.29 31.73 3i7s h VAL 245 CO 0.08 0.23 -0.67 -1.61 -1.01 0.00 0.00 177.57 174.59 3i7s s GLU 246 N -4.30 1.36 -0.01 4.17 2.02 -1.26 -5.07 118.70 115.60 3i7s s GLU 246 Ca -0.03 -1.67 -0.34 0.00 0.02 0.00 0.00 54.97 52.95 3i7s s GLU 246 Cb 0.14 -0.75 -0.12 0.00 0.10 0.00 0.00 34.13 33.50 3i7s s GLU 246 CO 0.67 -0.04 1.80 -2.30 0.02 0.00 0.00 175.26 175.41 3i7s n PRO 247 N -0.43 2.20 -1.67 0.39 -0.02 -1.26 -4.51 135.00 129.70 3i7s n PRO 247 Ca -0.06 0.80 -0.45 0.00 -2.02 0.00 0.00 63.50 61.77 3i7s n PRO 247 Cb 0.63 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3i7s n PRO 247 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i7s n ASN 248 N 5.78 2.93 -1.69 2.55 5.15 -1.26 -0.44 115.26 128.27 3i7s n ASN 248 Ca 0.21 1.11 -0.08 0.00 -0.60 0.00 0.00 54.58 55.22 3i7s n ASN 248 Cb 0.30 -1.43 0.24 0.00 -0.53 0.00 0.00 39.78 38.36 3i7s n ASN 248 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i7s n PRO 249 N 2.75 2.73 -0.05 1.20 -0.04 -1.26 -4.93 135.00 135.41 3i7s n PRO 249 Ca 0.14 -3.07 -0.10 0.00 -0.04 0.00 0.00 63.50 60.44 3i7s n PRO 249 Cb 0.30 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 3i7s n PRO 249 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i7s h ILE 250 N 1.67 0.22 -0.23 0.52 2.04 -1.04 -0.99 117.51 119.70 3i7s h ILE 250 Ca 0.32 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.02 3i7s h ILE 250 Cb 2.18 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3i7s h ILE 250 CO 0.68 0.00 -0.51 -0.65 0.00 0.00 0.00 178.15 177.66 3i7s h PRO 251 N -0.37 0.66 -0.42 2.37 0.11 -1.77 -2.16 132.00 130.41 3i7s h PRO 251 Ca 0.12 -0.40 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 3i7s h PRO 251 Cb 0.56 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3i7s h PRO 251 CO -0.44 1.01 -0.20 -0.24 -0.21 0.00 0.00 178.00 177.92 3i7s h VAL 252 N 0.51 1.27 -0.63 3.15 3.04 -1.75 -0.84 116.25 121.00 3i7s h VAL 252 Ca 0.02 -1.31 -0.02 0.00 -1.01 0.00 0.00 66.70 64.38 3i7s h VAL 252 Cb 1.07 1.16 -0.03 0.00 -2.01 0.00 0.00 31.29 31.47 3i7s h VAL 252 CO 0.10 0.44 0.33 0.11 -1.01 0.00 0.00 177.57 177.55 3i7s h LYS 253 N 0.72 0.89 -0.72 4.17 1.57 -1.11 -0.15 116.57 121.94 3i7s h LYS 253 Ca 0.10 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3i7s h LYS 253 Cb 0.72 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3i7s h LYS 253 CO 0.06 0.69 0.38 2.35 -0.57 0.00 0.00 179.45 182.36 3i7s h TRP 254 N 0.86 1.00 -0.49 -1.35 7.01 -0.98 -2.19 115.95 119.81 3i7s h TRP 254 Ca 0.22 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3i7s h TRP 254 Cb 0.07 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3i7s h TRP 254 CO -0.01 0.71 0.27 0.00 -2.79 0.00 0.00 178.44 176.63 3i7s h ALA 255 N 1.19 0.62 -0.73 2.65 0.00 -0.63 -0.80 119.26 121.57 3i7s h ALA 255 Ca 0.25 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3i7s h ALA 255 Cb 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3i7s h ALA 255 CO -0.04 0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.77 3i7s h LYS 257 N 0.75 0.39 -0.63 0.00 3.64 -0.94 -0.37 116.57 119.41 3i7s h LYS 257 Ca 0.33 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3i7s h LYS 257 Cb 0.22 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3i7s h LYS 257 CO -0.20 0.37 0.33 1.49 -2.27 0.00 0.00 179.45 179.17 3i7s h GLU 258 N 0.31 0.88 0.00 1.90 4.57 -0.50 -1.25 114.58 120.49 3i7s h GLU 258 Ca 0.09 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3i7s h GLU 258 Cb 0.11 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3i7s h GLU 258 CO -0.01 0.67 0.00 1.28 -1.18 0.00 0.00 179.01 179.76 3i7s n LEU 259 N -4.37 0.13 0.00 1.64 4.77 -0.13 -4.90 117.00 114.14 3i7s n LEU 259 Ca 0.06 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3i7s n LEU 259 Cb 0.11 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3i7s n LEU 259 CO 0.38 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3i7s n GLY 260 N 1.40 0.62 0.11 -0.72 0.00 -0.47 -4.96 105.19 101.17 3i7s n GLY 260 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i7s n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i7s h LEU 261 N 0.00 0.00 -8.43 0.99 3.38 -1.29 -3.46 115.31 106.49 3i7s h LEU 261 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3i7s h LEU 261 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 3i7s h LEU 261 CO 0.00 0.62 -0.75 0.68 0.09 0.00 0.00 178.44 179.08 3i7s s VAL 262 N -2.90 0.99 0.25 1.22 -7.23 -1.18 -4.48 120.40 107.07 3i7s s VAL 262 Ca 0.01 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 3i7s s VAL 262 Cb 0.08 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.80 3i7s s VAL 262 CO 0.78 -0.45 1.64 0.00 -0.31 0.00 0.00 175.10 176.76 3i7s h ALA 263 N 3.81 0.95 -2.95 1.32 0.00 -1.90 -3.39 119.26 117.10 3i7s h ALA 263 Ca -0.38 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 53.95 3i7s h ALA 263 Cb 1.19 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.65 3i7s h ALA 263 CO 0.49 0.62 -0.55 0.99 0.00 0.00 0.00 179.25 180.79 3i7s s THR 264 N -4.26 0.07 -0.68 0.00 2.01 -1.26 -5.04 115.64 106.48 3i7s s THR 264 Ca -0.07 -0.59 0.16 0.00 0.31 0.00 0.00 61.69 61.50 3i7s s THR 264 Cb 0.13 -0.34 0.77 0.00 0.01 0.00 0.00 72.50 73.07 3i7s s THR 264 CO 0.81 -0.32 1.68 -0.90 -0.69 0.00 0.00 174.62 175.19 3i7s n ASP 265 N 1.82 5.25 -4.76 3.53 5.75 -1.26 -4.55 116.55 122.32 3i7s n ASP 265 Ca -0.21 -2.70 -0.41 0.00 -0.01 0.00 0.00 54.79 51.46 3i7s n ASP 265 Cb 0.56 -0.64 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3i7s n ASP 265 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3i7s n THR 266 N 0.86 1.81 -4.46 2.12 -1.04 -1.26 -4.74 114.28 107.56 3i7s n THR 266 Ca 0.27 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.60 3i7s n THR 266 Cb 1.05 -1.93 -0.10 0.00 -1.82 0.00 0.00 70.33 67.53 3i7s n THR 266 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i7s s LEU 267 N -1.64 2.20 -0.06 -4.42 1.02 -1.26 -4.46 118.68 110.06 3i7s s LEU 267 Ca 0.56 -1.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.18 3i7s s LEU 267 Cb -0.49 -0.40 -0.05 0.00 0.02 0.00 0.00 46.19 45.27 3i7s s LEU 267 CO 0.61 -0.62 0.33 -0.13 0.02 0.00 0.00 176.35 176.56 3i7s s ARG 268 N -3.88 3.88 0.35 1.70 0.52 -1.26 -4.89 118.95 115.36 3i7s s ARG 268 Ca 0.36 0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 55.53 3i7s s ARG 268 Cb 0.08 -3.26 -0.12 0.00 0.52 0.00 0.00 34.95 32.18 3i7s s ARG 268 CO 0.15 0.62 1.19 1.28 0.02 0.00 0.00 175.30 178.56 3i7s n LEU 269 N 2.22 3.10 -0.39 2.53 4.77 -1.26 -1.68 117.00 126.29 3i7s n LEU 269 Ca -0.15 1.17 0.06 0.00 -0.03 0.00 0.00 56.01 57.07 3i7s n LEU 269 Cb 0.53 -1.43 0.25 0.00 -2.33 0.00 0.00 43.42 40.44 3i7s n LEU 269 CO 0.36 -0.83 0.68 -0.81 -1.33 0.00 0.00 177.39 175.47 3i7s n PRO 270 N 0.48 1.49 -2.41 3.23 -0.04 -1.26 -4.96 135.00 131.54 3i7s n PRO 270 Ca 0.07 -0.76 -0.41 0.00 -0.04 0.00 0.00 63.50 62.36 3i7s n PRO 270 Cb 0.36 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3i7s n PRO 270 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i7s s MET 271 N -1.77 4.57 0.24 0.54 -1.94 -0.67 -5.05 119.30 115.22 3i7s s MET 271 Ca 0.22 1.86 0.11 0.00 -1.71 0.00 0.00 55.69 56.16 3i7s s MET 271 Cb 0.11 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.70 3i7s s MET 271 CO 0.16 0.07 -0.19 0.95 -0.01 0.00 0.00 175.02 176.00 3i7s s THR 272 N -0.75 2.26 0.39 2.05 -4.23 -1.26 -4.56 115.64 109.53 3i7s s THR 272 Ca 0.48 -2.28 -0.26 0.00 -1.18 0.00 0.00 61.69 58.45 3i7s s THR 272 Cb -0.33 -2.19 -0.11 0.00 1.34 0.00 0.00 72.50 71.22 3i7s s THR 272 CO 0.40 -0.39 1.25 -2.65 -0.54 0.00 0.00 174.62 172.69 3i7s n PRO 273 N -0.37 1.95 -1.56 3.99 -0.02 -1.26 -4.90 135.00 132.82 3i7s n PRO 273 Ca -0.07 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3i7s n PRO 273 Cb 0.59 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 3i7s n PRO 273 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3i7s n ILE 274 N -0.02 2.24 -2.12 4.25 3.06 -1.26 -4.97 119.36 120.55 3i7s n ILE 274 Ca 0.06 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.50 3i7s n ILE 274 Cb 0.38 -0.95 -0.01 0.00 0.54 0.00 0.00 39.64 39.60 3i7s n ILE 274 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3i7s s THR 275 N -1.30 4.68 0.25 9.51 -4.23 -1.26 -4.88 115.64 118.41 3i7s s THR 275 Ca 0.63 0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 62.01 3i7s s THR 275 Cb -0.59 -3.82 0.24 0.00 1.34 0.00 0.00 72.50 69.67 3i7s s THR 275 CO 0.57 -0.97 1.68 0.44 -0.54 0.00 0.00 174.62 175.80 3i7s h ASP 276 N 0.14 -0.00 -0.21 3.99 3.32 -2.00 0.10 116.42 121.75 3i7s h ASP 276 Ca -0.45 0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 3i7s h ASP 276 Cb 1.19 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 3i7s h ASP 276 CO 0.62 -0.05 -0.20 -1.28 -1.72 0.00 0.00 179.24 176.61 3i7s h SER 277 N 0.26 0.66 -0.48 6.45 0.87 -2.00 -2.95 113.55 116.35 3i7s h SER 277 Ca 0.43 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3i7s h SER 277 Cb 0.75 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3i7s h SER 277 CO -0.53 0.86 0.21 1.23 -0.53 0.00 0.00 176.83 178.06 3i7s h GLY 278 N 0.99 0.76 0.10 5.77 0.00 -1.42 -2.16 103.07 107.11 3i7s h GLY 278 Ca 0.09 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.07 3i7s h GLY 278 CO 0.05 0.38 -0.32 3.21 0.00 0.00 0.00 176.54 179.86 3i7s h ARG 279 N 0.64 -0.36 -0.64 4.80 3.08 -0.93 -0.47 114.38 120.49 3i7s h ARG 279 Ca 0.16 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3i7s h ARG 279 Cb 0.17 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3i7s h ARG 279 CO -0.02 -0.24 0.38 0.93 -1.07 0.00 0.00 179.97 179.95 3i7s h GLU 280 N -0.37 0.88 -0.32 0.04 4.39 -1.43 0.33 114.58 118.10 3i7s h GLU 280 Ca 0.11 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.78 3i7s h GLU 280 Cb 0.54 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 3i7s h GLU 280 CO -0.38 0.64 -0.06 1.15 -1.16 0.00 0.00 179.01 179.19 3i7s h THR 281 N 0.87 0.69 -0.32 1.13 2.02 -1.12 -2.16 112.91 114.01 3i7s h THR 281 Ca 0.23 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.32 3i7s h THR 281 Cb -0.01 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3i7s h THR 281 CO -0.04 0.00 -0.12 0.58 0.37 0.00 0.00 175.52 176.31 3i7s h VAL 282 N 0.02 1.29 -0.38 3.16 2.07 0.15 -2.62 116.25 119.93 3i7s h VAL 282 Ca 0.15 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.55 3i7s h VAL 282 Cb 0.23 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3i7s h VAL 282 CO -0.32 0.39 -0.14 -0.09 0.02 0.00 0.00 177.57 177.43 3i7s h ARG 283 N 0.43 -0.06 -0.66 1.57 2.43 -0.36 -1.26 114.38 116.46 3i7s h ARG 283 Ca 0.08 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3i7s h ARG 283 Cb 0.63 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3i7s h ARG 283 CO 0.04 -0.04 0.38 0.00 -1.51 0.00 0.00 179.97 178.84 3i7s h ALA 284 N 1.27 0.88 -0.51 2.80 0.00 -1.23 -0.66 119.26 121.81 3i7s h ALA 284 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3i7s h ALA 284 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i7s h ALA 284 CO -0.43 0.08 0.08 0.00 0.00 0.00 0.00 179.25 178.98 3i7s h ALA 285 N 1.33 1.18 -0.62 0.00 0.00 -1.09 -1.11 119.26 118.95 3i7s h ALA 285 Ca 0.29 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3i7s h ALA 285 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3i7s h ALA 285 CO -0.16 0.55 0.07 -0.07 0.00 0.00 0.00 179.25 179.64 3i7s h LEU 286 N 0.76 0.99 0.03 0.00 3.38 -0.69 -1.92 115.31 117.87 3i7s h LEU 286 Ca 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i7s h LEU 286 Cb 0.35 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i7s h LEU 286 CO 0.01 1.00 -0.02 0.11 0.09 0.00 0.00 178.44 179.63 3i7s h LYS 287 N 0.96 -0.04 -0.98 1.13 1.57 -0.79 -1.95 116.57 116.47 3i7s h LYS 287 Ca 0.19 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.12 3i7s h LYS 287 Cb 0.46 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.68 3i7s h LYS 287 CO 0.02 0.12 0.60 1.25 -0.57 0.00 0.00 179.45 180.86 3i7s h HIS 288 N -0.19 1.07 0.00 -1.35 2.76 -1.13 0.25 115.15 116.56 3i7s h HIS 288 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3i7s h HIS 288 Cb 0.18 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.81 3i7s h HIS 288 CO -0.02 0.35 0.00 0.00 -1.30 0.00 0.00 177.93 176.95 3i7s n ALA 289 N -2.35 1.92 -1.41 5.26 0.00 -0.73 -4.91 120.51 118.29 3i7s n ALA 289 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 3i7s n ALA 289 Cb 0.43 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 3i7s n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7s n GLY 290 N 0.58 0.40 0.01 0.00 0.00 0.87 -4.93 105.19 102.12 3i7s n GLY 290 Ca 0.04 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.17 3i7s n GLY 290 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i7s n LEU 291 N -0.11 0.16 -0.21 0.99 4.77 -0.77 -5.04 117.00 116.79 3i7s n LEU 291 Ca -0.01 -0.10 0.03 0.00 -0.03 0.00 0.00 56.01 55.89 3i7s n LEU 291 Cb 0.22 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3i7s n LEU 291 CO 0.01 0.04 0.33 -0.11 -1.33 0.00 0.00 177.39 176.34