#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7r n PHE 2 N 0.00 0.07 -4.39 1.12 3.01 -1.26 -4.76 117.46 111.25 3i7r n PHE 2 Ca 0.00 -0.89 -0.20 0.00 1.01 0.00 0.00 57.45 57.37 3i7r n PHE 2 Cb 0.00 -0.19 -0.09 0.00 -0.01 0.00 0.00 39.48 39.19 3i7r n PHE 2 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3i7r s THR 3 N -1.20 0.57 0.00 4.37 -4.23 -1.26 -4.86 115.64 109.04 3i7r s THR 3 Ca 0.35 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3i7r s THR 3 Cb 0.38 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3i7r s THR 3 CO -0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3i7r n GLY 4 N -0.65 -0.32 3.52 3.99 0.00 -0.91 -4.68 105.19 106.14 3i7r n GLY 4 Ca -0.01 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 3i7r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7r s SER 5 N -4.00 6.34 -0.18 1.61 0.15 -1.26 -1.66 113.70 114.69 3i7r s SER 5 Ca 0.00 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.35 3i7r s SER 5 Cb 0.00 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 3i7r s SER 5 CO 0.00 -0.77 -0.07 -0.63 1.20 0.00 0.00 173.24 172.98 3i7r s ILE 6 N 2.83 3.34 -0.04 6.45 1.01 -0.00 -0.69 121.20 134.10 3i7r s ILE 6 Ca 0.23 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 3i7r s ILE 6 Cb -0.14 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3i7r s ILE 6 CO 0.19 0.46 0.64 0.54 0.00 0.00 0.00 174.94 176.77 3i7r s VAL 7 N 0.99 4.98 -0.88 2.92 0.11 -0.67 0.32 120.40 128.16 3i7r s VAL 7 Ca -0.00 1.33 -0.20 0.00 -2.93 0.00 0.00 61.98 60.18 3i7r s VAL 7 Cb -0.15 -3.98 0.11 0.00 -1.53 0.00 0.00 36.38 30.84 3i7r s VAL 7 CO -0.00 0.34 1.12 0.00 -3.33 0.00 0.00 175.10 173.22 3i7r s ALA 8 N 0.30 3.27 0.26 1.54 0.00 -0.20 -0.42 121.76 126.51 3i7r s ALA 8 Ca 0.34 -2.56 -0.29 0.00 0.00 0.00 0.00 51.96 49.45 3i7r s ALA 8 Cb -0.18 -4.05 -0.09 0.00 0.00 0.00 0.00 23.12 18.80 3i7r s ALA 8 CO 0.17 -2.99 0.98 -1.50 0.00 0.00 0.00 175.76 172.43 3i7r s ILE 9 N 3.11 3.94 0.74 0.00 2.07 -0.99 -4.71 121.20 125.36 3i7r s ILE 9 Ca 0.32 1.92 -0.13 0.00 -1.41 0.00 0.00 60.65 61.34 3i7r s ILE 9 Cb -0.07 -4.20 0.04 0.00 0.13 0.00 0.00 42.46 38.36 3i7r s ILE 9 CO -0.06 0.43 1.14 0.68 -1.91 0.00 0.00 174.94 175.22 3i7r s VAL 10 N -1.22 2.78 -0.57 4.00 -7.23 -1.26 -3.21 120.40 113.69 3i7r s VAL 10 Ca 0.43 0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 60.82 3i7r s VAL 10 Cb -0.27 -2.79 0.14 0.00 0.56 0.00 0.00 36.38 34.03 3i7r s VAL 10 CO 0.33 -0.26 0.47 -0.89 -0.31 0.00 0.00 175.10 174.44 3i7r s THR 11 N -2.38 4.64 0.32 5.32 2.01 -1.26 -4.88 115.64 119.41 3i7r s THR 11 Ca 0.68 -1.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.43 3i7r s THR 11 Cb -0.23 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.19 3i7r s THR 11 CO 0.48 -0.85 1.27 -2.16 -0.69 0.00 0.00 174.62 172.67 3i7r s PRO 12 N 1.06 4.40 0.26 4.92 0.04 -1.26 -4.92 135.00 139.50 3i7r s PRO 12 Ca 0.08 2.14 0.11 0.00 0.04 0.00 0.00 61.00 63.37 3i7r s PRO 12 Cb -0.24 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 3i7r s PRO 12 CO -0.02 -0.13 -0.18 -1.64 0.04 0.00 0.00 177.00 175.08 3i7r s MET 13 N -1.64 1.56 0.62 4.56 -1.94 -1.26 -0.06 119.30 121.15 3i7r s MET 13 Ca 0.49 -1.71 -0.09 0.00 -1.71 0.00 0.00 55.69 52.67 3i7r s MET 13 Cb -0.38 -1.56 0.14 0.00 2.01 0.00 0.00 34.83 35.04 3i7r s MET 13 CO 0.50 0.28 0.84 -0.40 -0.01 0.00 0.00 175.02 176.24 3i7r n ASP 14 N -0.54 0.22 0.09 3.03 5.75 -0.27 -4.24 116.55 120.59 3i7r n ASP 14 Ca -0.06 -1.40 0.10 0.00 -0.01 0.00 0.00 54.79 53.42 3i7r n ASP 14 Cb 0.60 -0.63 0.42 0.00 -1.03 0.00 0.00 41.12 40.48 3i7r n ASP 14 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i7r n GLU 15 N -2.75 0.12 0.00 0.11 1.02 -1.26 -1.45 120.64 116.43 3i7r n GLU 15 Ca 0.11 0.41 0.14 0.00 -0.02 0.00 0.00 57.16 57.80 3i7r n GLU 15 Cb 0.39 -1.76 0.50 0.00 -0.02 0.00 0.00 31.44 30.54 3i7r n GLU 15 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i7r n LYS 16 N -2.00 0.93 -0.89 3.49 5.02 -1.26 -4.94 118.16 118.51 3i7r n LYS 16 Ca 0.02 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 3i7r n LYS 16 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3i7r n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7r n GLY 17 N 1.28 0.51 3.89 0.72 0.00 -0.53 -5.07 105.19 105.99 3i7r n GLY 17 Ca 0.14 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3i7r n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i7r s ASN 18 N -2.39 6.12 0.14 1.61 0.01 -1.26 -4.86 114.94 114.32 3i7r s ASN 18 Ca 0.00 0.14 -0.34 0.00 -0.71 0.00 0.00 52.86 51.95 3i7r s ASN 18 Cb 0.00 -1.81 -0.15 0.00 0.41 0.00 0.00 41.25 39.70 3i7r s ASN 18 CO 0.00 0.11 1.39 0.55 -1.51 0.00 0.00 177.10 177.64 3i7r n VAL 19 N -0.09 0.28 -3.38 1.60 3.14 -1.26 -1.12 118.33 117.50 3i7r n VAL 19 Ca -0.07 -0.07 -0.45 0.00 -2.96 0.00 0.00 64.34 60.80 3i7r n VAL 19 Cb 0.53 -1.12 -0.07 0.00 -1.06 0.00 0.00 33.84 32.12 3i7r n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i7r h ARG 21 N 8.76 0.11 -0.71 0.00 1.12 -1.92 -0.59 114.38 121.16 3i7r h ARG 21 Ca -0.28 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.63 3i7r h ARG 21 Cb 1.11 -0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.99 3i7r h ARG 21 CO 0.90 0.08 0.42 0.00 -3.11 0.00 0.00 179.97 178.26 3i7r h ALA 22 N 1.09 0.95 -0.57 2.80 0.00 -1.99 -1.07 119.26 120.47 3i7r h ALA 22 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3i7r h ALA 22 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3i7r h ALA 22 CO -0.06 0.15 0.04 0.77 0.00 0.00 0.00 179.25 180.15 3i7r h SER 23 N 0.80 0.91 -0.15 0.00 0.02 -1.78 -2.44 113.55 110.91 3i7r h SER 23 Ca 0.30 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3i7r h SER 23 Cb 0.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3i7r h SER 23 CO -0.15 0.95 0.03 0.25 -1.14 0.00 0.00 176.83 176.77 3i7r h LEU 24 N 0.88 0.23 -0.62 5.07 5.85 -0.57 -1.50 115.31 124.66 3i7r h LEU 24 Ca 0.17 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3i7r h LEU 24 Cb 0.46 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3i7r h LEU 24 CO 0.02 0.42 0.30 0.50 -0.34 0.00 0.00 178.44 179.34 3i7r h LYS 25 N 0.03 0.53 -0.56 1.25 3.64 -1.21 0.19 116.57 120.44 3i7r h LYS 25 Ca 0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3i7r h LYS 25 Cb 0.28 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3i7r h LYS 25 CO 0.00 0.35 0.35 -0.22 -2.27 0.00 0.00 179.45 177.67 3i7r h LYS 26 N 0.55 0.69 -0.74 1.90 3.64 -1.27 -0.01 116.57 121.32 3i7r h LYS 26 Ca 0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3i7r h LYS 26 Cb 0.26 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3i7r h LYS 26 CO -0.23 0.45 0.41 -0.07 -2.27 0.00 0.00 179.45 177.75 3i7r h LEU 27 N 0.71 0.93 -0.30 5.20 3.38 -0.49 -1.33 115.31 123.40 3i7r h LEU 27 Ca 0.22 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 3i7r h LEU 27 Cb -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3i7r h LEU 27 CO -0.08 0.76 -0.64 0.40 0.09 0.00 0.00 178.44 178.97 3i7r h ILE 28 N 1.02 1.29 -0.53 1.22 2.04 -0.40 -1.22 117.51 120.94 3i7r h ILE 28 Ca 0.26 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3i7r h ILE 28 Cb 0.03 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i7r h ILE 28 CO -0.04 0.59 0.34 0.44 0.00 0.00 0.00 178.15 179.48 3i7r h ASP 29 N 0.56 0.62 -0.57 1.72 3.32 -0.99 -1.02 116.42 120.06 3i7r h ASP 29 Ca -0.01 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.09 3i7r h ASP 29 Cb 1.24 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 3i7r h ASP 29 CO 0.13 0.46 0.23 0.22 -1.72 0.00 0.00 179.24 178.56 3i7r h TYR 30 N 0.72 0.40 0.00 4.55 3.20 -1.00 -0.17 116.97 124.67 3i7r h TYR 30 Ca 0.19 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 3i7r h TYR 30 Cb -0.06 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3i7r h TYR 30 CO -0.03 0.14 -0.54 0.45 -1.64 0.00 0.00 178.16 176.53 3i7r h HIS 31 N 0.43 0.00 -0.00 -3.82 3.86 -0.85 -1.31 115.15 113.45 3i7r h HIS 31 Ca 0.27 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3i7r h HIS 31 Cb 0.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 3i7r h HIS 31 CO -0.15 0.54 -0.00 0.28 0.86 0.00 0.00 177.93 179.46 3i7r h VAL 32 N 0.00 1.32 -0.19 2.45 2.07 -0.69 -2.41 116.25 118.79 3i7r h VAL 32 Ca -0.01 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3i7r h VAL 32 Cb 1.03 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3i7r h VAL 32 CO 0.07 0.24 -0.05 0.00 0.02 0.00 0.00 177.57 177.86 3i7r h ALA 33 N 0.60 1.57 0.00 1.67 0.00 -0.93 -3.14 119.26 119.03 3i7r h ALA 33 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i7r h ALA 33 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i7r h ALA 33 CO 0.00 0.31 -0.21 0.43 0.00 0.00 0.00 179.25 179.78 3i7r n SER 34 N -4.33 0.56 0.00 0.00 7.64 -0.51 -4.94 113.62 112.04 3i7r n SER 34 Ca -0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3i7r n SER 34 Cb 0.22 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3i7r n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i7r n GLY 35 N 1.38 0.50 3.77 0.23 0.00 -1.14 -4.26 105.19 105.67 3i7r n GLY 35 Ca 0.05 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 3i7r n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7r s THR 36 N -2.00 2.29 0.11 2.61 2.01 -0.92 -4.81 115.64 114.93 3i7r s THR 36 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3i7r s THR 36 Cb 0.00 -3.17 -0.23 0.00 0.01 0.00 0.00 72.50 69.11 3i7r s THR 36 CO 0.00 0.06 1.25 0.28 -0.69 0.00 0.00 174.62 175.51 3i7r h SER 37 N 3.74 0.27 -4.73 3.53 0.02 -1.21 -3.46 113.55 111.72 3i7r h SER 37 Ca -0.49 -0.27 0.14 0.00 -0.84 0.00 0.00 61.79 60.33 3i7r h SER 37 Cb 1.23 -0.09 -0.15 0.00 0.14 0.00 0.00 62.40 63.54 3i7r h SER 37 CO 0.69 1.17 0.53 0.00 -1.14 0.00 0.00 176.83 178.08 3i7r s ALA 38 N -2.84 -1.83 -0.11 3.77 0.00 -1.25 -4.32 121.76 115.18 3i7r s ALA 38 Ca -0.02 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3i7r s ALA 38 Cb 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3i7r s ALA 38 CO 0.85 -0.74 -0.13 0.42 0.00 0.00 0.00 175.76 176.17 3i7r s ILE 39 N -3.06 3.11 -0.33 0.00 1.01 -0.11 -1.68 121.20 120.14 3i7r s ILE 39 Ca 0.07 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 3i7r s ILE 39 Cb -0.01 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 3i7r s ILE 39 CO -0.07 0.54 0.43 -0.69 0.00 0.00 0.00 174.94 175.15 3i7r s VAL 40 N 0.07 5.11 -0.16 2.92 1.01 0.44 0.97 120.40 130.76 3i7r s VAL 40 Ca -0.05 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3i7r s VAL 40 Cb -0.15 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3i7r s VAL 40 CO 0.04 -0.11 0.37 -0.55 0.00 0.00 0.00 175.10 174.85 3i7r s SER 41 N 1.73 6.50 -1.33 3.32 0.15 0.19 -2.34 113.70 121.92 3i7r s SER 41 Ca 0.15 0.59 -0.02 0.00 0.70 0.00 0.00 55.95 57.38 3i7r s SER 41 Cb -0.16 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 3i7r s SER 41 CO 0.12 0.02 0.73 0.52 1.20 0.00 0.00 173.24 175.83 3i7r n VAL 42 N 3.82 -4.19 -0.66 4.45 0.31 -1.26 -0.15 118.33 120.64 3i7r n VAL 42 Ca -0.10 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 3i7r n VAL 42 Cb 0.52 -3.67 0.00 0.00 -0.91 0.00 0.00 33.84 29.78 3i7r n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7r n GLY 43 N -1.60 -0.40 0.18 2.92 0.00 -1.26 -4.19 105.19 100.83 3i7r n GLY 43 Ca -0.26 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 3i7r n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i7r h THR 44 N -0.27 0.78 0.00 2.61 2.02 -1.96 -0.93 112.91 115.16 3i7r h THR 44 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3i7r h THR 44 Cb 0.00 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3i7r h THR 44 CO 0.00 0.04 -0.11 0.74 0.37 0.00 0.00 175.52 176.56 3i7r h THR 45 N 0.23 0.69 -0.30 3.16 2.02 -1.86 -0.62 112.91 116.23 3i7r h THR 45 Ca 0.21 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3i7r h THR 45 Cb 0.26 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3i7r h THR 45 CO -0.27 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.33 3i7r n GLY 46 N -0.91 1.38 3.65 2.16 0.00 -0.39 -4.30 105.19 106.79 3i7r n GLY 46 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 3i7r n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7r n GLU 47 N 0.38 -6.74 -0.10 1.61 1.02 -0.24 -4.34 120.64 112.23 3i7r n GLU 47 Ca 0.12 0.75 0.17 0.00 -0.02 0.00 0.00 57.16 58.19 3i7r n GLU 47 Cb 0.48 -5.70 0.58 0.00 -0.02 0.00 0.00 31.44 26.78 3i7r n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i7r h SER 48 N -2.29 0.23 -0.76 1.62 4.64 -1.64 -1.97 113.55 113.39 3i7r h SER 48 Ca -0.58 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.77 3i7r h SER 48 Cb 1.36 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 3i7r h SER 48 CO 0.57 0.12 0.50 0.00 -0.87 0.00 0.00 176.83 177.16 3i7r h ALA 49 N 1.68 1.51 -0.10 5.18 0.00 -1.87 -3.29 119.26 122.37 3i7r h ALA 49 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i7r h ALA 49 Cb 0.92 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i7r h ALA 49 CO -0.07 0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.86 3i7r n THR 50 N -4.44 0.18 -3.70 0.00 -2.24 -0.76 -4.90 114.28 98.42 3i7r n THR 50 Ca 0.09 -0.59 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 3i7r n THR 50 Cb 0.08 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 3i7r n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i7r s LEU 51 N -1.19 4.40 0.86 3.22 1.02 -1.11 -5.04 118.68 120.84 3i7r s LEU 51 Ca 0.20 0.66 -0.13 0.00 0.02 0.00 0.00 54.13 54.87 3i7r s LEU 51 Cb 0.13 -2.30 0.11 0.00 0.02 0.00 0.00 46.19 44.16 3i7r s LEU 51 CO 0.19 0.34 1.19 0.54 0.02 0.00 0.00 176.35 178.63 3i7r s ASN 52 N -0.86 4.02 0.34 2.29 2.20 -1.26 -4.77 114.94 116.90 3i7r s ASN 52 Ca 0.18 0.73 0.02 0.00 -0.94 0.00 0.00 52.86 52.86 3i7r s ASN 52 Cb -0.14 -1.17 0.60 0.00 -2.00 0.00 0.00 41.25 38.55 3i7r s ASN 52 CO 0.07 -2.21 1.97 0.45 -2.94 0.00 0.00 177.10 174.45 3i7r h HIS 53 N -1.27 0.78 -0.26 1.54 3.86 -1.99 0.23 115.15 118.04 3i7r h HIS 53 Ca -0.47 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.68 3i7r h HIS 53 Cb 1.31 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 3i7r h HIS 53 CO 0.03 0.53 -0.06 -0.44 0.86 0.00 0.00 177.93 178.86 3i7r h ASP 54 N 0.81 0.50 -0.82 2.45 3.32 -1.99 -0.59 116.42 120.10 3i7r h ASP 54 Ca 0.21 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3i7r h ASP 54 Cb 0.00 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3i7r h ASP 54 CO -0.04 0.74 0.44 -0.33 -1.72 0.00 0.00 179.24 178.34 3i7r h GLU 55 N 0.25 1.15 0.35 3.56 5.08 -1.79 0.20 114.58 123.37 3i7r h GLU 55 Ca 0.07 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3i7r h GLU 55 Cb 0.52 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3i7r h GLU 55 CO 0.02 0.84 -0.17 1.25 -1.00 0.00 0.00 179.01 179.96 3i7r h HIS 56 N 1.15 -0.43 -0.63 4.33 2.76 -0.86 -1.64 115.15 119.82 3i7r h HIS 56 Ca 0.29 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.51 3i7r h HIS 56 Cb 0.03 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.08 3i7r h HIS 56 CO 0.01 -0.19 0.33 0.00 -1.30 0.00 0.00 177.93 176.78 3i7r h ALA 57 N 0.01 0.84 -0.61 5.26 0.00 -0.90 -1.38 119.26 122.48 3i7r h ALA 57 Ca -0.05 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3i7r h ALA 57 Cb 0.44 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3i7r h ALA 57 CO 0.08 -0.02 0.18 -0.44 0.00 0.00 0.00 179.25 179.05 3i7r h ASP 58 N 0.61 0.11 -0.06 0.00 5.19 -0.77 -0.29 116.42 121.21 3i7r h ASP 58 Ca 0.29 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.79 3i7r h ASP 58 Cb 0.22 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 3i7r h ASP 58 CO -0.20 0.06 0.01 0.58 -3.12 0.00 0.00 179.24 176.57 3i7r h VAL 59 N 0.33 1.23 -0.50 -1.35 2.07 -0.66 -0.71 116.25 116.65 3i7r h VAL 59 Ca 0.32 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 67.22 3i7r h VAL 59 Cb 0.45 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 3i7r h VAL 59 CO -0.37 0.19 0.11 0.58 0.02 0.00 0.00 177.57 178.11 3i7r h VAL 60 N -0.17 0.73 -0.43 2.57 2.07 -1.02 0.92 116.25 120.92 3i7r h VAL 60 Ca 0.02 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 3i7r h VAL 60 Cb 0.30 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3i7r h VAL 60 CO 0.00 0.05 -0.12 0.24 0.02 0.00 0.00 177.57 177.75 3i7r h MET 61 N 0.25 0.79 -0.37 1.57 2.07 -0.94 -0.93 114.93 117.37 3i7r h MET 61 Ca 0.25 -0.27 -0.15 0.00 -2.07 0.00 0.00 59.70 57.46 3i7r h MET 61 Cb 0.33 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 3i7r h MET 61 CO -0.32 0.87 -0.37 1.98 1.07 0.00 0.00 176.91 180.14 3i7r h MET 62 N 0.71 0.91 -0.47 1.72 -1.53 -0.71 -1.52 114.93 114.03 3i7r h MET 62 Ca 0.12 -0.48 0.00 0.00 -3.44 0.00 0.00 59.70 55.90 3i7r h MET 62 Cb 0.61 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.65 3i7r h MET 62 CO 0.04 1.13 0.31 1.15 0.14 0.00 0.00 176.91 179.68 3i7r h THR 63 N 0.72 1.12 0.07 -0.77 2.02 -0.57 -0.12 112.91 115.38 3i7r h THR 63 Ca 0.06 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3i7r h THR 63 Cb 0.97 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3i7r h THR 63 CO 0.09 0.12 -0.03 0.25 0.37 0.00 0.00 175.52 176.32 3i7r h LEU 64 N 0.63 -0.08 -0.23 2.58 5.85 -1.09 0.19 115.31 123.16 3i7r h LEU 64 Ca 0.17 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3i7r h LEU 64 Cb -0.07 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3i7r h LEU 64 CO -0.04 0.01 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.15 3i7r h ASP 65 N -0.17 -0.49 -0.52 1.25 3.58 -1.16 -1.73 116.42 117.18 3i7r h ASP 65 Ca -0.01 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3i7r h ASP 65 Cb 0.14 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 3i7r h ASP 65 CO 0.02 -0.19 0.26 -0.07 -2.88 0.00 0.00 179.24 176.37 3i7r h LEU 66 N -0.14 0.71 -1.06 2.28 3.38 -0.85 -1.77 115.31 117.85 3i7r h LEU 66 Ca 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3i7r h LEU 66 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3i7r h LEU 66 CO -0.32 0.61 0.28 0.00 0.09 0.00 0.00 178.44 179.11 3i7r h ALA 67 N 1.50 1.26 -6.23 1.53 0.00 -0.28 -3.47 119.26 113.58 3i7r h ALA 67 Ca 0.19 -0.15 -0.45 0.00 0.00 0.00 0.00 54.91 54.50 3i7r h ALA 67 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i7r h ALA 67 CO -0.02 0.55 -0.80 -3.47 0.00 0.00 0.00 179.25 175.50 3i7r n ASP 68 N -4.32 -2.70 0.00 0.00 2.03 -0.67 -1.28 116.55 109.61 3i7r n ASP 68 Ca 0.06 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.55 3i7r n ASP 68 Cb 0.16 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 3i7r n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i7r n GLY 69 N -1.66 0.43 0.11 0.27 0.00 -1.26 -4.84 105.19 98.24 3i7r n GLY 69 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 3i7r n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i7r h ARG 70 N 1.25 0.00 -2.81 1.61 3.08 -1.56 -3.46 114.38 112.50 3i7r h ARG 70 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3i7r h ARG 70 Cb 0.10 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.88 3i7r h ARG 70 CO 0.00 0.69 -0.36 -1.50 -1.07 0.00 0.00 179.97 177.74 3i7r s ILE 71 N -2.86 -0.02 0.35 2.04 2.07 -1.26 -5.03 121.20 116.49 3i7r s ILE 71 Ca 0.03 0.09 -0.28 0.00 -1.41 0.00 0.00 60.65 59.07 3i7r s ILE 71 Cb 0.09 -0.52 -0.11 0.00 0.13 0.00 0.00 42.46 42.05 3i7r s ILE 71 CO 0.78 0.04 1.39 -2.84 -1.91 0.00 0.00 174.94 172.39 3i7r s PRO 72 N 1.12 4.24 -0.12 3.50 0.02 -1.26 -4.87 135.00 137.63 3i7r s PRO 72 Ca -0.08 2.38 0.03 0.00 0.02 0.00 0.00 61.00 63.35 3i7r s PRO 72 Cb -0.08 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3i7r s PRO 72 CO -0.09 -0.35 -0.22 0.08 -0.33 0.00 0.00 177.00 176.09 3i7r s VAL 73 N -1.12 2.02 -0.15 3.83 1.01 -1.26 -0.93 120.40 123.79 3i7r s VAL 73 Ca 0.51 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3i7r s VAL 73 Cb -0.43 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3i7r s VAL 73 CO 0.58 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 175.54 3i7r s ILE 74 N 0.67 3.80 -0.04 2.22 1.01 0.27 -1.72 121.20 127.41 3i7r s ILE 74 Ca -0.11 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 3i7r s ILE 74 Cb -0.16 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3i7r s ILE 74 CO 0.02 0.50 0.67 0.00 0.00 0.00 0.00 174.94 176.12 3i7r s ALA 75 N 0.35 3.39 0.09 9.38 0.00 -0.58 0.56 121.76 134.94 3i7r s ALA 75 Ca -0.05 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 3i7r s ALA 75 Cb -0.14 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 3i7r s ALA 75 CO 0.03 -0.01 1.52 0.20 0.00 0.00 0.00 175.76 177.51 3i7r s GLY 76 N 0.42 1.72 -0.02 0.00 0.00 0.78 -0.41 107.32 109.82 3i7r s GLY 76 Ca 0.35 1.15 0.03 0.00 0.00 0.00 0.00 44.72 46.26 3i7r s GLY 76 CO 0.18 2.62 0.86 -1.30 0.00 0.00 0.00 173.10 175.46 3i7r n THR 77 N 4.36 0.56 -2.08 0.90 -2.24 -0.69 -4.86 114.28 110.23 3i7r n THR 77 Ca 0.14 -0.62 -0.40 0.00 -2.27 0.00 0.00 64.05 60.89 3i7r n THR 77 Cb 0.41 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 3i7r n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i7r s GLY 78 N -1.00 2.96 -0.03 3.38 0.00 -1.24 -4.74 107.32 106.65 3i7r s GLY 78 Ca 0.06 1.25 -0.21 0.00 0.00 0.00 0.00 44.72 45.82 3i7r s GLY 78 CO 0.01 1.87 0.46 0.00 0.00 0.00 0.00 173.10 175.43 3i7r s ALA 79 N -1.20 -1.18 -1.62 3.20 0.00 -1.26 -4.93 121.76 114.77 3i7r s ALA 79 Ca 0.53 0.72 0.28 0.00 0.00 0.00 0.00 51.96 53.49 3i7r s ALA 79 Cb -0.39 0.05 1.09 0.00 0.00 0.00 0.00 23.12 23.87 3i7r s ALA 79 CO 0.51 -0.30 1.78 0.27 0.00 0.00 0.00 175.76 178.02 3i7r n ASN 80 N 1.13 0.58 -4.42 0.00 6.94 -1.26 -4.41 115.26 113.82 3i7r n ASN 80 Ca -0.21 -0.59 -0.34 0.00 -0.02 0.00 0.00 54.58 53.43 3i7r n ASN 80 Cb 0.56 -0.03 -0.13 0.00 -2.36 0.00 0.00 39.78 37.82 3i7r n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i7r s ALA 81 N -2.52 2.87 0.14 -2.53 0.00 -1.26 -4.83 121.76 113.63 3i7r s ALA 81 Ca 0.27 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 3i7r s ALA 81 Cb 0.20 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3i7r s ALA 81 CO 0.50 0.02 1.74 1.15 0.00 0.00 0.00 175.76 179.17 3i7r h THR 82 N 5.37 0.90 -0.99 0.00 2.02 -1.95 -0.30 112.91 117.96 3i7r h THR 82 Ca -0.33 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 66.90 3i7r h THR 82 Cb 1.19 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 68.18 3i7r h THR 82 CO 0.60 0.04 0.62 0.00 0.37 0.00 0.00 175.52 177.15 3i7r h ALA 83 N 1.20 1.49 0.00 6.16 0.00 -1.97 -1.00 119.26 125.14 3i7r h ALA 83 Ca 0.14 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3i7r h ALA 83 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i7r h ALA 83 CO -0.15 0.23 -0.72 0.93 0.00 0.00 0.00 179.25 179.54 3i7r h GLU 84 N 0.99 0.00 -0.38 0.00 3.07 -1.76 -1.81 114.58 114.69 3i7r h GLU 84 Ca 0.49 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.19 3i7r h GLU 84 Cb 0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3i7r h GLU 84 CO -0.26 0.72 -0.38 0.00 -1.40 0.00 0.00 179.01 177.69 3i7r h ALA 85 N 1.28 0.55 -0.38 3.43 0.00 -0.39 -1.86 119.26 121.89 3i7r h ALA 85 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3i7r h ALA 85 Cb 1.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3i7r h ALA 85 CO 0.09 0.66 0.17 0.82 0.00 0.00 0.00 179.25 180.99 3i7r h ILE 86 N 0.74 1.18 -0.27 0.00 2.04 -1.14 -1.30 117.51 118.76 3i7r h ILE 86 Ca 0.06 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3i7r h ILE 86 Cb 0.98 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3i7r h ILE 86 CO 0.09 0.19 0.12 -1.28 0.00 0.00 0.00 178.15 177.27 3i7r h SER 87 N 0.48 0.37 -0.65 1.72 0.87 -1.32 -0.73 113.55 114.29 3i7r h SER 87 Ca 0.13 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3i7r h SER 87 Cb 0.14 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3i7r h SER 87 CO -0.01 0.42 0.29 0.25 -0.53 0.00 0.00 176.83 177.25 3i7r h LEU 88 N 0.30 0.87 -0.69 2.23 5.85 -1.29 -2.76 115.31 119.82 3i7r h LEU 88 Ca 0.09 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3i7r h LEU 88 Cb 0.16 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3i7r h LEU 88 CO -0.01 0.78 0.42 0.74 -0.34 0.00 0.00 178.44 180.03 3i7r h THR 89 N 0.91 1.07 0.00 1.05 2.02 -0.94 -2.72 112.91 114.29 3i7r h THR 89 Ca 0.22 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3i7r h THR 89 Cb 0.15 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3i7r h THR 89 CO -0.02 0.15 -0.15 1.56 0.37 0.00 0.00 175.52 177.43 3i7r h GLN 90 N 0.82 0.00 -0.31 6.66 4.20 -0.85 -1.58 115.11 124.05 3i7r h GLN 90 Ca 0.28 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.08 3i7r h GLN 90 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3i7r h GLN 90 CO -0.12 0.15 0.25 0.00 -0.67 0.00 0.00 178.83 178.44 3i7r h ARG 91 N 0.00 0.00 0.00 1.46 3.08 -1.30 -2.78 114.38 114.84 3i7r h ARG 91 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i7r h ARG 91 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i7r h ARG 91 CO 0.02 0.00 -0.84 1.19 -1.07 0.00 0.00 179.97 179.27 3i7r n PHE 92 N -4.21 0.00 -1.60 3.04 3.01 -0.61 -4.91 117.46 112.17 3i7r n PHE 92 Ca 0.04 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.06 3i7r n PHE 92 Cb 0.41 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.84 3i7r n PHE 92 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3i7r n ASN 93 N -1.44 1.49 -3.59 4.37 3.02 -1.05 -1.81 115.26 116.26 3i7r n ASN 93 Ca 0.03 1.18 -0.27 0.00 -0.03 0.00 0.00 54.58 55.49 3i7r n ASN 93 Cb 0.27 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3i7r n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3i7r n ASP 94 N 1.31 -4.20 -0.02 6.41 8.00 -1.26 -4.88 116.55 121.91 3i7r n ASP 94 Ca 0.10 -0.56 0.04 0.00 0.71 0.00 0.00 54.79 55.08 3i7r n ASP 94 Cb 0.31 -3.42 -0.11 0.00 -0.02 0.00 0.00 41.12 37.89 3i7r n ASP 94 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i7r n SER 95 N -2.50 1.76 0.00 -2.24 3.41 -0.75 -5.01 113.62 108.29 3i7r n SER 95 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i7r n SER 95 Cb 0.54 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.97 3i7r n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7r n GLY 96 N 1.80 1.58 3.77 5.00 0.00 -1.26 -5.08 105.19 110.99 3i7r n GLY 96 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3i7r n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i7r s ILE 97 N -2.18 2.96 -0.67 -0.61 -4.36 -1.26 -4.78 121.20 110.29 3i7r s ILE 97 Ca 0.00 0.61 0.23 0.00 -0.26 0.00 0.00 60.65 61.23 3i7r s ILE 97 Cb 0.00 -3.25 -0.10 0.00 1.25 0.00 0.00 42.46 40.36 3i7r s ILE 97 CO 0.00 -0.12 1.06 1.33 0.24 0.00 0.00 174.94 177.45 3i7r n VAL 98 N -1.34 0.15 -3.81 8.37 0.24 -0.70 -5.00 118.33 116.23 3i7r n VAL 98 Ca 0.12 -0.21 0.02 0.00 -2.04 0.00 0.00 64.34 62.23 3i7r n VAL 98 Cb 0.50 0.25 0.01 0.00 -1.47 0.00 0.00 33.84 33.13 3i7r n VAL 98 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i7r s GLY 99 N -3.55 -0.24 0.04 7.63 0.00 -1.26 -4.18 107.32 105.77 3i7r s GLY 99 Ca 0.05 0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.15 3i7r s GLY 99 CO 0.79 2.89 -0.24 0.00 0.00 0.00 0.00 173.10 176.55 3i7r s LEU 101 N -1.21 4.10 -0.23 0.00 2.96 0.45 -0.51 118.68 124.24 3i7r s LEU 101 Ca 0.10 -1.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.02 3i7r s LEU 101 Cb -0.09 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.79 3i7r s LEU 101 CO 0.02 -0.27 -0.11 0.28 -1.32 0.00 0.00 176.35 174.95 3i7r s THR 102 N 1.42 1.89 0.42 3.68 -1.32 -0.18 -1.69 115.64 119.85 3i7r s THR 102 Ca -0.01 -1.30 -0.23 0.00 -1.21 0.00 0.00 61.69 58.95 3i7r s THR 102 Cb -0.19 -1.98 -0.09 0.00 -1.51 0.00 0.00 72.50 68.73 3i7r s THR 102 CO 0.02 0.09 1.04 0.54 -2.21 0.00 0.00 174.62 174.09 3i7r s VAL 103 N 1.26 3.80 0.25 5.08 0.11 -1.26 -1.92 120.40 127.71 3i7r s VAL 103 Ca -0.04 1.30 -0.31 0.00 -2.93 0.00 0.00 61.98 59.99 3i7r s VAL 103 Cb -0.18 -3.63 -0.13 0.00 -1.53 0.00 0.00 36.38 30.91 3i7r s VAL 103 CO -0.07 -0.07 1.43 0.35 -3.33 0.00 0.00 175.10 173.41 3i7r n THR 104 N -0.31 0.97 -1.57 5.04 -2.24 -0.79 -4.52 114.28 110.87 3i7r n THR 104 Ca 0.06 -0.24 -0.61 0.00 -2.27 0.00 0.00 64.05 60.99 3i7r n THR 104 Cb 0.51 -1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 67.12 3i7r n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i7r n PRO 105 N 2.03 0.03 -3.61 -0.78 -0.02 -1.26 -4.93 135.00 126.46 3i7r n PRO 105 Ca 0.11 0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.35 3i7r n PRO 105 Cb 0.32 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 3i7r n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3i7r s TYR 106 N 0.78 3.48 0.00 6.00 -0.85 -1.26 -4.50 117.35 121.00 3i7r s TYR 106 Ca 0.94 0.32 0.00 0.00 -0.52 0.00 0.00 57.07 57.81 3i7r s TYR 106 Cb -1.32 -1.85 0.00 0.00 0.38 0.00 0.00 41.96 39.17 3i7r s TYR 106 CO 0.63 0.30 0.00 0.98 -1.52 0.00 0.00 175.55 175.94 3i7r n TYR 107 N -1.09 0.00 1.25 -3.49 9.36 -0.72 -4.48 117.16 117.98 3i7r n TYR 107 Ca -0.05 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.31 3i7r n TYR 107 Cb 0.55 0.00 0.58 0.00 -0.63 0.00 0.00 39.34 39.84 3i7r n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3i7r n ASN 108 N 2.74 0.30 -3.66 2.98 0.23 -1.26 -4.99 115.26 111.60 3i7r n ASN 108 Ca 0.00 -0.21 -0.26 0.00 -0.53 0.00 0.00 54.58 53.59 3i7r n ASN 108 Cb 0.00 -0.16 0.02 0.00 -2.08 0.00 0.00 39.78 37.56 3i7r n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i7r n ARG 109 N -1.21 -1.21 -1.17 -3.83 1.74 -1.26 -4.95 116.66 104.76 3i7r n ARG 109 Ca 0.11 0.70 -0.30 0.00 -0.77 0.00 0.00 57.85 57.59 3i7r n ARG 109 Cb 0.30 -3.53 0.14 0.00 -1.02 0.00 0.00 32.46 28.34 3i7r n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i7r s PRO 110 N -5.27 1.17 0.94 5.56 0.04 -1.26 -5.05 135.00 131.13 3i7r s PRO 110 Ca 0.22 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 3i7r s PRO 110 Cb -0.09 -1.80 0.16 0.00 0.04 0.00 0.00 34.50 32.81 3i7r s PRO 110 CO 0.87 -2.30 1.20 -1.54 0.04 0.00 0.00 177.00 175.27 3i7r s SER 111 N -3.38 3.31 0.21 6.66 1.04 -1.26 -4.79 113.70 115.49 3i7r s SER 111 Ca 0.64 0.65 -0.09 0.00 0.48 0.00 0.00 55.95 57.63 3i7r s SER 111 Cb -0.18 -0.99 0.21 0.00 0.10 0.00 0.00 66.02 65.16 3i7r s SER 111 CO 0.57 -2.65 1.84 1.56 0.98 0.00 0.00 173.24 175.55 3i7r h GLN 112 N -1.57 0.82 -0.55 4.02 1.08 -1.96 0.97 115.11 117.91 3i7r h GLN 112 Ca -0.47 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 56.73 3i7r h GLN 112 Cb 1.30 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.50 3i7r h GLN 112 CO 0.52 0.54 0.30 1.49 -0.95 0.00 0.00 178.83 180.72 3i7r h GLU 113 N 0.84 0.56 -0.80 1.46 4.57 -1.99 0.04 114.58 119.26 3i7r h GLU 113 Ca 0.29 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 3i7r h GLU 113 Cb 0.07 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.47 3i7r h GLU 113 CO -0.13 0.37 0.49 0.78 -1.18 0.00 0.00 179.01 179.34 3i7r h GLY 114 N 0.57 1.18 0.92 1.92 0.00 -1.67 -0.57 103.07 105.42 3i7r h GLY 114 Ca 0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3i7r h GLY 114 CO -0.15 0.26 0.11 1.41 0.00 0.00 0.00 176.54 178.18 3i7r h LEU 115 N 0.92 0.50 -0.23 3.11 3.38 -0.27 -0.44 115.31 122.28 3i7r h LEU 115 Ca 0.34 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3i7r h LEU 115 Cb 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3i7r h LEU 115 CO -0.15 0.57 -0.02 0.22 0.09 0.00 0.00 178.44 179.15 3i7r h TYR 116 N 0.41 -0.05 -0.36 1.13 3.20 -0.53 -1.59 116.97 119.18 3i7r h TYR 116 Ca 0.11 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3i7r h TYR 116 Cb 0.24 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3i7r h TYR 116 CO 0.01 -0.06 -0.11 1.96 -1.64 0.00 0.00 178.16 178.32 3i7r h GLN 117 N 0.04 0.62 0.60 1.82 1.08 -0.97 0.89 115.11 119.18 3i7r h GLN 117 Ca 0.11 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3i7r h GLN 117 Cb 0.15 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3i7r h GLN 117 CO -0.20 0.72 -0.29 1.25 -0.95 0.00 0.00 178.83 179.36 3i7r h HIS 118 N 0.57 -0.75 -0.06 2.96 2.76 -0.71 -2.43 115.15 117.49 3i7r h HIS 118 Ca 0.10 -0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.06 3i7r h HIS 118 Cb 0.53 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 3i7r h HIS 118 CO 0.02 -0.45 -0.78 0.74 -1.30 0.00 0.00 177.93 176.16 3i7r h PHE 119 N -0.84 0.55 -0.31 5.26 -1.00 -1.19 -2.52 116.94 116.89 3i7r h PHE 119 Ca -0.08 -0.26 0.05 0.00 2.81 0.00 0.00 57.97 60.49 3i7r h PHE 119 Cb 0.63 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 3i7r h PHE 119 CO -0.03 1.03 0.05 -0.22 -1.61 0.00 0.00 178.31 177.53 3i7r h LYS 120 N 0.26 0.15 -0.37 1.51 3.64 -0.87 -1.52 116.57 119.37 3i7r h LYS 120 Ca -0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3i7r h LYS 120 Cb 1.37 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 3i7r h LYS 120 CO 0.13 0.10 0.12 0.00 -2.27 0.00 0.00 179.45 177.54 3i7r h ALA 121 N 1.24 0.48 -0.23 5.00 0.00 -1.34 -1.59 119.26 122.82 3i7r h ALA 121 Ca 0.15 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i7r h ALA 121 Cb 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3i7r h ALA 121 CO -0.20 0.12 -0.17 0.82 0.00 0.00 0.00 179.25 179.82 3i7r h ILE 122 N 0.45 0.53 -0.59 0.00 2.04 -1.38 -2.61 117.51 115.96 3i7r h ILE 122 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 3i7r h ILE 122 Cb 0.24 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3i7r h ILE 122 CO -0.01 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.53 3i7r h ALA 123 N 0.97 1.60 0.00 1.87 0.00 -0.93 -1.91 119.26 120.87 3i7r h ALA 123 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i7r h ALA 123 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i7r h ALA 123 CO -0.33 0.36 0.00 0.93 0.00 0.00 0.00 179.25 180.21 3i7r h GLU 124 N 0.77 0.00 -0.47 0.00 5.08 -0.92 -3.04 114.58 116.00 3i7r h GLU 124 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3i7r h GLU 124 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3i7r h GLU 124 CO -0.05 0.00 0.01 0.72 -1.00 0.00 0.00 179.01 178.69 3i7r n HIS 125 N -3.02 1.70 -3.55 4.33 8.25 -0.72 -4.97 115.22 117.25 3i7r n HIS 125 Ca 0.00 -0.81 -0.11 0.00 -0.26 0.00 0.00 57.72 56.55 3i7r n HIS 125 Cb 0.28 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 3i7r n HIS 125 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3i7r s THR 126 N -2.81 0.04 -0.79 1.59 -1.32 -1.15 -4.81 115.64 106.39 3i7r s THR 126 Ca 0.50 -0.34 0.14 0.00 -1.21 0.00 0.00 61.69 60.79 3i7r s THR 126 Cb 0.39 -1.10 -0.13 0.00 -1.51 0.00 0.00 72.50 70.15 3i7r s THR 126 CO 0.13 -0.19 0.65 0.47 -2.21 0.00 0.00 174.62 173.47 3i7r n ASP 127 N -0.27 0.82 -4.75 8.08 8.00 -1.26 -4.92 116.55 122.25 3i7r n ASP 127 Ca -0.16 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 3i7r n ASP 127 Cb 0.64 0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 42.64 3i7r n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i7r s LEU 128 N -2.58 4.39 0.24 0.64 1.43 -1.26 -4.98 118.68 116.56 3i7r s LEU 128 Ca 0.07 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.56 3i7r s LEU 128 Cb 0.11 -3.63 -0.14 0.00 0.03 0.00 0.00 46.19 42.56 3i7r s LEU 128 CO 0.56 -0.69 1.27 -2.65 0.23 0.00 0.00 176.35 175.08 3i7r n PRO 129 N 1.94 1.71 -4.41 1.29 -0.02 -1.26 -4.84 135.00 129.41 3i7r n PRO 129 Ca 0.05 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 3i7r n PRO 129 Cb 0.40 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 3i7r n PRO 129 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i7r s GLN 130 N -0.71 3.46 -0.28 -0.52 -1.52 0.26 -0.80 119.66 119.55 3i7r s GLN 130 Ca 0.67 -0.62 -0.07 0.00 -1.95 0.00 0.00 55.36 53.39 3i7r s GLN 130 Cb -0.70 -2.82 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 3i7r s GLN 130 CO 0.53 0.10 0.08 0.42 -0.25 0.00 0.00 175.29 176.16 3i7r s ILE 131 N 0.70 4.03 0.63 1.08 1.01 0.33 -0.73 121.20 128.25 3i7r s ILE 131 Ca -0.04 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3i7r s ILE 131 Cb -0.15 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 3i7r s ILE 131 CO 0.02 0.15 1.15 -0.76 0.00 0.00 0.00 174.94 175.50 3i7r s LEU 132 N 1.53 3.51 -0.11 2.97 1.43 -0.38 -1.01 118.68 126.61 3i7r s LEU 132 Ca 0.04 2.17 -0.03 0.00 -1.03 0.00 0.00 54.13 55.28 3i7r s LEU 132 Cb -0.17 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.52 3i7r s LEU 132 CO 0.03 -1.64 0.04 -0.47 0.23 0.00 0.00 176.35 174.54 3i7r s TYR 133 N -2.01 0.50 -0.21 0.29 5.04 -0.81 0.34 117.35 120.49 3i7r s TYR 133 Ca 0.71 -0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3i7r s TYR 133 Cb -0.25 -0.75 0.01 0.00 0.35 0.00 0.00 41.96 41.32 3i7r s TYR 133 CO 0.37 -0.39 -0.09 1.21 -1.34 0.00 0.00 175.55 175.31 3i7r s ASN 134 N 2.03 3.95 -0.44 4.32 2.47 -0.79 -1.88 114.94 124.59 3i7r s ASN 134 Ca 0.03 -0.54 0.07 0.00 0.42 0.00 0.00 52.86 52.84 3i7r s ASN 134 Cb -0.14 -1.65 0.22 0.00 -1.45 0.00 0.00 41.25 38.24 3i7r s ASN 134 CO -0.06 -0.03 0.63 0.55 -3.72 0.00 0.00 177.10 174.47 3i7r n VAL 135 N 4.73 -0.48 0.27 -5.21 3.14 -1.26 -0.95 118.33 118.57 3i7r n VAL 135 Ca -0.19 -2.70 0.17 0.00 -2.96 0.00 0.00 64.34 58.66 3i7r n VAL 135 Cb 0.50 -0.42 0.93 0.00 -1.06 0.00 0.00 33.84 33.78 3i7r n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3i7r h PRO 136 N 4.44 0.00 0.00 1.45 0.11 -1.87 -0.84 132.00 135.29 3i7r h PRO 136 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3i7r h PRO 136 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3i7r h PRO 136 CO 0.34 0.00 -0.06 0.66 -0.21 0.00 0.00 178.00 178.72 3i7r h SER 137 N 0.00 0.00 0.20 -2.05 4.64 -1.92 -1.49 113.55 112.93 3i7r h SER 137 Ca 0.03 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 3i7r h SER 137 Cb 0.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3i7r h SER 137 CO -0.00 0.06 -2.09 0.54 -0.87 0.00 0.00 176.83 174.47 3i7r n ARG 138 N -3.16 0.67 -0.04 4.77 1.74 -0.36 -4.68 116.66 115.60 3i7r n ARG 138 Ca 0.01 0.17 0.04 0.00 -0.77 0.00 0.00 57.85 57.30 3i7r n ARG 138 Cb 0.38 -1.65 -0.17 0.00 -1.02 0.00 0.00 32.46 30.00 3i7r n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i7r n THR 139 N -3.06 0.48 -0.97 0.55 -2.24 -0.99 -4.79 114.28 103.27 3i7r n THR 139 Ca -0.29 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3i7r n THR 139 Cb 1.08 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3i7r n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7r n GLY 140 N 1.43 0.61 3.15 3.38 0.00 -0.57 -1.76 105.19 111.43 3i7r n GLY 140 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3i7r n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7r s ASP 142 N -3.01 2.19 -0.64 0.00 2.15 -1.26 -3.81 116.67 112.29 3i7r s ASP 142 Ca 0.12 -0.38 -0.25 0.00 0.43 0.00 0.00 52.55 52.48 3i7r s ASP 142 Cb 0.06 -0.63 0.05 0.00 -0.30 0.00 0.00 42.92 42.10 3i7r s ASP 142 CO -0.05 -0.20 1.06 -0.22 -0.17 0.00 0.00 175.17 175.59 3i7r s LEU 143 N 1.84 3.88 0.57 -1.34 2.96 -1.26 -4.97 118.68 120.36 3i7r s LEU 143 Ca 0.03 -0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 3i7r s LEU 143 Cb -0.14 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 3i7r s LEU 143 CO -0.07 -1.49 1.06 -0.76 -1.32 0.00 0.00 176.35 173.77 3i7r s LEU 144 N 4.56 3.59 0.26 -0.68 1.43 -1.26 -4.83 118.68 121.76 3i7r s LEU 144 Ca 0.30 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.24 3i7r s LEU 144 Cb -0.12 -4.54 0.55 0.00 0.03 0.00 0.00 46.19 42.11 3i7r s LEU 144 CO 0.16 -1.08 1.68 -0.65 0.23 0.00 0.00 176.35 176.68 3i7r h PRO 145 N 0.75 0.26 -0.71 1.29 0.11 -1.95 -0.87 132.00 130.87 3i7r h PRO 145 Ca -0.48 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.76 3i7r h PRO 145 Cb 1.22 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 3i7r h PRO 145 CO 0.58 0.17 0.23 1.49 -0.21 0.00 0.00 178.00 180.26 3i7r h GLU 146 N 0.27 0.35 -0.12 1.05 4.81 -1.92 0.12 114.58 119.13 3i7r h GLU 146 Ca 0.47 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.52 3i7r h GLU 146 Cb 0.84 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3i7r h GLU 146 CO -0.56 0.23 -0.59 1.15 -0.73 0.00 0.00 179.01 178.51 3i7r h THR 147 N 0.36 1.35 -0.41 0.32 2.02 -1.55 -2.18 112.91 112.83 3i7r h THR 147 Ca 0.39 -1.91 0.02 0.00 0.77 0.00 0.00 66.41 65.68 3i7r h THR 147 Cb 0.61 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3i7r h THR 147 CO -0.43 0.58 0.23 0.58 0.37 0.00 0.00 175.52 176.85 3i7r h VAL 148 N 0.30 1.02 -0.89 3.16 2.07 -0.56 -0.13 116.25 121.22 3i7r h VAL 148 Ca -0.00 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.42 3i7r h VAL 148 Cb 1.12 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3i7r h VAL 148 CO 0.10 0.08 0.56 1.23 0.02 0.00 0.00 177.57 179.56 3i7r h GLY 149 N 0.46 1.35 0.90 2.17 0.00 -0.58 0.16 103.07 107.53 3i7r h GLY 149 Ca 0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3i7r h GLY 149 CO -0.09 0.28 -0.02 -0.09 0.00 0.00 0.00 176.54 176.62 3i7r h ARG 150 N 1.01 0.58 -0.09 4.80 2.43 -0.98 -3.09 114.38 119.05 3i7r h ARG 150 Ca 0.39 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3i7r h ARG 150 Cb 0.18 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3i7r h ARG 150 CO -0.17 0.72 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.48 3i7r h LEU 151 N 0.38 0.23 -1.63 3.80 3.38 -0.62 -3.02 115.31 117.83 3i7r h LEU 151 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i7r h LEU 151 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i7r h LEU 151 CO 0.02 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.21 3i7r h ALA 152 N 1.35 1.00 0.00 1.53 0.00 -0.60 -0.36 119.26 122.18 3i7r h ALA 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i7r h ALA 152 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i7r h ALA 152 CO 0.07 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.19 3i7r h LYS 153 N 0.00 0.00 -6.34 0.00 1.57 -1.58 -3.44 116.57 106.78 3i7r h LYS 153 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3i7r h LYS 153 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3i7r h LYS 153 CO 0.00 0.00 0.70 0.08 -0.57 0.00 0.00 179.45 179.66 3i7r s VAL 154 N -3.32 4.15 0.23 0.50 1.01 -0.15 -4.95 120.40 117.88 3i7r s VAL 154 Ca 0.06 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 3i7r s VAL 154 Cb 0.10 -3.96 0.26 0.00 0.00 0.00 0.00 36.38 32.78 3i7r s VAL 154 CO 0.50 0.01 1.55 1.17 0.00 0.00 0.00 175.10 178.33 3i7r n LYS 155 N 5.08 -0.22 -0.35 2.72 3.00 -1.26 -2.09 118.16 125.04 3i7r n LYS 155 Ca 0.11 1.54 0.12 0.00 -0.00 0.00 0.00 58.31 60.07 3i7r n LYS 155 Cb 0.46 -2.28 0.31 0.00 0.00 0.00 0.00 35.03 33.52 3i7r n LYS 155 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3i7r n ASN 156 N -5.48 3.84 -4.49 3.14 6.94 -1.26 -4.72 115.26 113.23 3i7r n ASN 156 Ca 0.11 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.24 3i7r n ASN 156 Cb 0.41 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.32 3i7r n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3i7r s ILE 157 N -1.08 4.62 -0.30 1.53 1.01 -0.89 0.92 121.20 127.00 3i7r s ILE 157 Ca 0.48 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.17 3i7r s ILE 157 Cb 0.25 -4.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 3i7r s ILE 157 CO 0.33 -0.94 0.28 2.30 0.00 0.00 0.00 174.94 176.91 3i7r n ILE 158 N 5.94 0.00 -3.87 2.92 -6.64 0.09 -4.70 119.36 113.10 3i7r n ILE 158 Ca -0.02 -0.32 -0.01 0.00 -1.77 0.00 0.00 62.75 60.63 3i7r n ILE 158 Cb 0.47 0.94 0.02 0.00 -1.44 0.00 0.00 39.64 39.62 3i7r n ILE 158 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3i7r n GLY 159 N 1.25 0.59 2.93 3.28 0.00 -1.21 -0.91 105.19 111.12 3i7r n GLY 159 Ca 0.01 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 3i7r n GLY 159 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i7r s ILE 160 N -2.11 -0.02 -0.45 -0.61 2.07 -0.09 -1.25 121.20 118.74 3i7r s ILE 160 Ca 0.21 0.08 -0.22 0.00 -1.41 0.00 0.00 60.65 59.31 3i7r s ILE 160 Cb -0.02 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 42.45 3i7r s ILE 160 CO 0.03 0.03 0.72 -0.60 -1.91 0.00 0.00 174.94 173.21 3i7r s ARG 161 N 0.49 3.32 -0.38 3.50 3.52 0.15 -1.03 118.95 128.53 3i7r s ARG 161 Ca -0.04 -0.29 -0.13 0.00 -0.13 0.00 0.00 55.73 55.14 3i7r s ARG 161 Cb -0.05 -3.96 0.01 0.00 -1.56 0.00 0.00 34.95 29.38 3i7r s ARG 161 CO -0.02 -1.09 0.26 -2.00 -0.81 0.00 0.00 175.30 171.63 3i7r s GLU 162 N 3.06 3.14 -0.16 5.12 -6.30 0.11 -1.89 118.70 121.79 3i7r s GLU 162 Ca 0.26 -0.89 0.17 0.00 -2.50 0.00 0.00 54.97 52.01 3i7r s GLU 162 Cb -0.13 -3.86 0.36 0.00 0.00 0.00 0.00 34.13 30.49 3i7r s GLU 162 CO 0.20 -0.62 1.21 0.00 0.02 0.00 0.00 175.26 176.07 3i7r n ALA 163 N 5.11 2.71 0.21 6.30 0.00 -0.12 -0.62 120.51 134.10 3i7r n ALA 163 Ca -0.12 -2.74 0.09 0.00 0.00 0.00 0.00 53.44 50.67 3i7r n ALA 163 Cb 0.48 -0.44 0.43 0.00 0.00 0.00 0.00 19.45 19.92 3i7r n ALA 163 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3i7r h THR 164 N 0.46 0.67 0.00 0.00 1.35 -1.92 -3.44 112.91 110.03 3i7r h THR 164 Ca 0.01 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3i7r h THR 164 Cb 1.09 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3i7r h THR 164 CO 0.05 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3i7r n GLY 165 N 0.14 0.55 3.32 5.82 0.00 -1.26 -4.97 105.19 108.78 3i7r n GLY 165 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3i7r n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7r s ASN 166 N -2.34 6.19 0.43 1.61 3.84 -1.26 -4.94 114.94 118.46 3i7r s ASN 166 Ca 0.00 -1.71 0.30 0.00 0.21 0.00 0.00 52.86 51.66 3i7r s ASN 166 Cb 0.00 -2.23 1.41 0.00 -0.55 0.00 0.00 41.25 39.88 3i7r s ASN 166 CO 0.00 -0.90 1.89 -0.07 -2.79 0.00 0.00 177.10 175.23 3i7r h LEU 167 N 9.09 0.00 -2.25 3.21 3.38 -1.97 -2.25 115.31 124.52 3i7r h LEU 167 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i7r h LEU 167 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3i7r h LEU 167 CO 1.05 0.00 -0.02 0.71 0.09 0.00 0.00 178.44 180.27 3i7r h THR 168 N 0.00 0.10 0.00 0.22 1.35 -2.03 -2.85 112.91 109.70 3i7r h THR 168 Ca 0.00 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 3i7r h THR 168 Cb 0.24 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3i7r h THR 168 CO 0.00 0.02 -0.21 0.03 -0.25 0.00 0.00 175.52 175.11 3i7r h ARG 169 N 0.00 0.00 0.51 4.72 2.47 -1.84 -3.08 114.38 117.15 3i7r h ARG 169 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3i7r h ARG 169 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3i7r h ARG 169 CO 0.00 0.21 -0.24 0.28 0.56 0.00 0.00 179.97 180.78 3i7r h VAL 170 N 0.00 0.50 0.00 2.04 2.07 -1.74 -0.92 116.25 118.20 3i7r h VAL 170 Ca -0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3i7r h VAL 170 Cb 0.48 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3i7r h VAL 170 CO 0.03 0.00 -0.08 0.78 0.02 0.00 0.00 177.57 178.32 3i7r h ASN 171 N -0.69 0.00 -0.37 0.57 2.35 -1.78 -1.07 115.58 114.58 3i7r h ASN 171 Ca -0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3i7r h ASN 171 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3i7r h ASN 171 CO 0.11 0.08 -0.13 1.56 -1.65 0.00 0.00 177.43 177.41 3i7r h GLN 172 N 0.00 0.74 -0.08 0.81 4.20 -1.41 -2.59 115.11 116.77 3i7r h GLN 172 Ca -0.00 -0.30 -0.20 0.00 0.06 0.00 0.00 58.65 58.21 3i7r h GLN 172 Cb 0.98 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.74 3i7r h GLN 172 CO 0.01 0.91 -0.71 0.82 -0.67 0.00 0.00 178.83 179.18 3i7r h ILE 173 N 0.54 1.33 -0.92 2.54 2.04 -1.15 -3.31 117.51 118.58 3i7r h ILE 173 Ca 0.09 -1.99 0.08 0.00 1.00 0.00 0.00 64.86 64.03 3i7r h ILE 173 Cb 0.66 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.90 3i7r h ILE 173 CO 0.04 0.61 0.59 0.50 0.00 0.00 0.00 178.15 179.90 3i7r h LYS 174 N 0.28 0.97 0.00 2.37 3.64 -1.17 -1.75 116.57 120.91 3i7r h LYS 174 Ca -0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3i7r h LYS 174 Cb 1.37 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3i7r h LYS 174 CO 0.14 0.64 0.00 -0.85 -2.27 0.00 0.00 179.45 177.12 3i7r n GLU 175 N -4.51 0.13 -0.00 1.90 0.28 -0.98 -3.04 120.64 114.42 3i7r n GLU 175 Ca 0.15 0.22 0.07 0.00 -0.16 0.00 0.00 57.16 57.44 3i7r n GLU 175 Cb 0.24 -1.69 -0.09 0.00 1.43 0.00 0.00 31.44 31.33 3i7r n GLU 175 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i7r n LEU 176 N -1.93 0.70 -4.66 -1.84 4.77 -0.70 -5.00 117.00 108.36 3i7r n LEU 176 Ca 0.05 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.29 3i7r n LEU 176 Cb 0.31 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 3i7r n LEU 176 CO 0.24 0.18 -0.27 0.68 -1.33 0.00 0.00 177.39 176.88 3i7r s VAL 177 N -2.45 2.59 0.77 4.08 -7.23 -0.96 -4.70 120.40 112.49 3i7r s VAL 177 Ca 0.06 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.20 3i7r s VAL 177 Cb 0.11 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 34.25 3i7r s VAL 177 CO 0.63 -0.16 1.12 -0.94 -0.31 0.00 0.00 175.10 175.43 3i7r s SER 178 N -3.75 4.83 0.13 4.85 1.04 -1.26 -4.92 113.70 114.60 3i7r s SER 178 Ca 0.36 1.10 0.24 0.00 0.48 0.00 0.00 55.95 58.13 3i7r s SER 178 Cb 0.01 -1.81 0.92 0.00 0.10 0.00 0.00 66.02 65.24 3i7r s SER 178 CO 0.20 -1.73 1.73 0.47 0.98 0.00 0.00 173.24 174.89 3i7r n ASP 179 N -3.25 0.40 -0.70 7.02 8.00 -1.26 -1.82 116.55 124.93 3i7r n ASP 179 Ca 0.07 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.25 3i7r n ASP 179 Cb 0.58 -0.66 0.35 0.00 -0.02 0.00 0.00 41.12 41.36 3i7r n ASP 179 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i7r n ASP 180 N -1.90 2.15 -4.68 -2.24 5.68 -1.26 -4.87 116.55 109.42 3i7r n ASP 180 Ca 0.05 -1.75 -0.42 0.00 -0.50 0.00 0.00 54.79 52.17 3i7r n ASP 180 Cb 0.30 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.17 3i7r n ASP 180 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3i7r s PHE 181 N -1.83 3.10 -0.07 2.11 5.36 -0.75 -4.94 117.98 120.94 3i7r s PHE 181 Ca 0.34 1.14 -0.23 0.00 -0.96 0.00 0.00 56.93 57.22 3i7r s PHE 181 Cb 0.20 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.39 3i7r s PHE 181 CO 0.30 -1.48 0.69 0.08 -1.46 0.00 0.00 175.22 173.36 3i7r s VAL 182 N 2.48 5.05 -0.26 3.12 1.01 -0.09 -4.95 120.40 126.76 3i7r s VAL 182 Ca 0.56 1.42 -0.06 0.00 0.00 0.00 0.00 61.98 63.91 3i7r s VAL 182 Cb -0.25 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 3i7r s VAL 182 CO 0.21 0.25 0.04 -0.76 0.00 0.00 0.00 175.10 174.83 3i7r s LEU 183 N 0.85 3.48 -0.05 3.92 1.43 -1.26 -0.91 118.68 126.15 3i7r s LEU 183 Ca 0.37 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3i7r s LEU 183 Cb -0.18 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3i7r s LEU 183 CO 0.17 -0.11 -0.19 -0.76 0.23 0.00 0.00 176.35 175.69 3i7r s LEU 184 N 1.51 1.96 0.39 1.79 1.43 -0.20 0.04 118.68 125.60 3i7r s LEU 184 Ca 0.04 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 3i7r s LEU 184 Cb -0.16 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 3i7r s LEU 184 CO 0.01 0.18 1.10 -0.55 0.23 0.00 0.00 176.35 177.31 3i7r s SER 185 N -0.01 6.69 -0.08 2.29 0.15 -0.42 0.03 113.70 122.36 3i7r s SER 185 Ca -0.04 2.18 0.12 0.00 0.70 0.00 0.00 55.95 58.91 3i7r s SER 185 Cb -0.12 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 61.80 3i7r s SER 185 CO 0.03 -0.54 1.13 0.61 1.20 0.00 0.00 173.24 175.66 3i7r n GLY 186 N 0.53 4.09 2.78 9.45 0.00 0.21 -1.34 105.19 120.91 3i7r n GLY 186 Ca 0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 3i7r n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i7r s ASP 187 N -2.09 4.08 0.23 1.61 2.15 -1.26 -4.68 116.67 116.71 3i7r s ASP 187 Ca 0.22 -1.91 -0.08 0.00 0.43 0.00 0.00 52.55 51.20 3i7r s ASP 187 Cb 0.18 -1.02 0.37 0.00 -0.30 0.00 0.00 42.92 42.15 3i7r s ASP 187 CO 0.03 -0.38 1.68 0.44 -0.17 0.00 0.00 175.17 176.76 3i7r h ASP 188 N 7.75 -0.13 -0.11 -0.34 3.32 -1.90 -1.18 116.42 123.84 3i7r h ASP 188 Ca -0.10 0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3i7r h ASP 188 Cb 1.00 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3i7r h ASP 188 CO 0.48 -0.07 0.11 0.00 -1.72 0.00 0.00 179.24 178.04 3i7r h ALA 189 N 1.58 1.81 -0.17 3.45 0.00 -1.95 -2.45 119.26 121.52 3i7r h ALA 189 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3i7r h ALA 189 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i7r h ALA 189 CO -0.51 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.44 3i7r n SER 190 N -4.01 2.53 -0.08 0.00 3.41 -0.51 -4.79 113.62 110.18 3i7r n SER 190 Ca -0.00 -2.12 -0.09 0.00 -0.26 0.00 0.00 58.87 56.39 3i7r n SER 190 Cb 0.22 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 3i7r n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7r h ALA 191 N 0.99 0.76 -0.16 7.33 0.00 -0.89 0.55 119.26 127.84 3i7r h ALA 191 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3i7r h ALA 191 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3i7r h ALA 191 CO 0.01 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.21 3i7r h LEU 192 N 0.66 0.24 -0.64 0.00 5.85 -1.87 0.27 115.31 119.82 3i7r h LEU 192 Ca 0.07 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3i7r h LEU 192 Cb 0.86 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 3i7r h LEU 192 CO 0.08 0.40 0.21 0.44 -0.34 0.00 0.00 178.44 179.22 3i7r h ASP 193 N 0.07 0.15 -0.19 1.25 3.32 -1.85 0.31 116.42 119.48 3i7r h ASP 193 Ca 0.05 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3i7r h ASP 193 Cb 0.25 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3i7r h ASP 193 CO 0.00 0.08 -0.09 0.15 -1.72 0.00 0.00 179.24 177.66 3i7r h PHE 194 N 0.36 -0.23 -0.71 4.55 3.57 -0.56 -1.72 116.94 122.21 3i7r h PHE 194 Ca 0.33 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3i7r h PHE 194 Cb 0.46 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3i7r h PHE 194 CO -0.20 -0.15 0.40 0.52 -2.23 0.00 0.00 178.31 176.65 3i7r h MET 195 N -0.08 0.98 -0.12 1.11 2.86 -0.29 -0.91 114.93 118.49 3i7r h MET 195 Ca 0.10 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3i7r h MET 195 Cb 0.23 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3i7r h MET 195 CO -0.24 0.73 0.09 0.37 1.06 0.00 0.00 176.91 178.92 3i7r h GLN 196 N 0.97 0.00 -0.00 1.72 4.15 0.11 -0.32 115.11 121.74 3i7r h GLN 196 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3i7r h GLN 196 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3i7r h GLN 196 CO -0.04 0.00 -0.07 1.28 -1.93 0.00 0.00 178.83 178.07 3i7r n LEU 197 N -4.32 0.21 0.00 -2.39 4.77 -0.69 -4.86 117.00 109.72 3i7r n LEU 197 Ca -0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3i7r n LEU 197 Cb 0.21 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3i7r n LEU 197 CO 0.33 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3i7r n GLY 198 N 1.33 0.75 3.62 -0.72 0.00 -0.14 -4.77 105.19 105.26 3i7r n GLY 198 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3i7r n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7r n GLY 199 N 0.00 -0.39 0.39 -0.02 0.00 -0.39 -4.90 105.19 99.88 3i7r n GLY 199 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3i7r n GLY 199 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i7r n HIS 200 N -2.37 0.00 -3.84 1.61 8.25 0.11 -4.49 115.22 114.48 3i7r n HIS 200 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3i7r n HIS 200 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3i7r n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i7r n GLY 201 N 1.29 -0.90 3.01 -1.41 0.00 -1.23 -2.13 105.19 103.82 3i7r n GLY 201 Ca 0.07 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3i7r n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7r s VAL 202 N -3.00 -0.01 -0.44 1.61 0.11 -0.66 -1.30 120.40 116.71 3i7r s VAL 202 Ca 0.00 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 3i7r s VAL 202 Cb 0.00 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.67 3i7r s VAL 202 CO 0.00 0.02 0.39 -0.63 -3.33 0.00 0.00 175.10 171.54 3i7r s ILE 203 N 0.35 5.19 0.02 7.04 1.01 -0.45 -0.82 121.20 133.53 3i7r s ILE 203 Ca -0.02 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.95 3i7r s ILE 203 Cb -0.04 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3i7r s ILE 203 CO -0.01 -0.47 -0.14 -0.55 0.00 0.00 0.00 174.94 173.77 3i7r s SER 204 N 2.11 4.07 -0.09 3.58 0.15 0.15 -4.54 113.70 119.13 3i7r s SER 204 Ca 0.07 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.23 3i7r s SER 204 Cb -0.21 -0.78 -0.28 0.00 -1.71 0.00 0.00 66.02 63.05 3i7r s SER 204 CO 0.10 0.28 0.62 0.58 1.20 0.00 0.00 173.24 176.02 3i7r h VAL 205 N 3.95 1.14 -0.97 4.45 2.07 -1.87 -0.52 116.25 124.49 3i7r h VAL 205 Ca -0.48 -2.42 0.18 0.00 0.82 0.00 0.00 66.70 64.80 3i7r h VAL 205 Cb 1.16 2.81 -0.09 0.00 -1.52 0.00 0.00 31.29 33.65 3i7r h VAL 205 CO 0.50 0.69 0.61 0.74 0.02 0.00 0.00 177.57 180.13 3i7r h THR 206 N -0.35 0.74 0.00 2.57 2.02 -1.95 -1.91 112.91 114.03 3i7r h THR 206 Ca -0.27 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3i7r h THR 206 Cb 1.71 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3i7r h THR 206 CO 0.07 0.13 0.12 0.00 0.37 0.00 0.00 175.52 176.20 3i7r h ALA 207 N 1.62 1.12 -0.87 6.16 0.00 -1.83 -1.42 119.26 124.03 3i7r h ALA 207 Ca 0.53 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.59 3i7r h ALA 207 Cb 0.90 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3i7r h ALA 207 CO -0.30 -0.12 0.57 -0.91 0.00 0.00 0.00 179.25 178.49 3i7r h ASN 208 N 0.00 0.62 0.00 0.00 2.35 -1.57 -3.01 115.58 113.96 3i7r h ASN 208 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3i7r h ASN 208 Cb 0.23 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3i7r h ASN 208 CO 0.00 0.31 0.00 1.33 -1.65 0.00 0.00 177.43 177.42 3i7r n VAL 209 N -4.55 0.00 -2.80 2.81 0.24 -0.62 -4.76 118.33 108.65 3i7r n VAL 209 Ca 0.17 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 3i7r n VAL 209 Cb 0.48 1.10 0.01 0.00 -1.47 0.00 0.00 33.84 33.96 3i7r n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7r n ALA 210 N -0.41 3.24 -0.20 2.33 0.00 -0.69 -4.97 120.51 119.81 3i7r n ALA 210 Ca 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 53.44 49.98 3i7r n ALA 210 Cb 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.60 3i7r n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i7r h ALA 211 N 2.96 0.73 0.11 0.00 0.00 -1.77 -1.40 119.26 119.89 3i7r h ALA 211 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i7r h ALA 211 Cb 1.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i7r h ALA 211 CO 0.54 0.38 -0.05 -0.09 0.00 0.00 0.00 179.25 180.03 3i7r h ARG 212 N 0.77 -0.14 -0.58 0.00 2.43 -1.89 0.29 114.38 115.26 3i7r h ARG 212 Ca 0.18 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3i7r h ARG 212 Cb 0.26 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3i7r h ARG 212 CO -0.01 0.10 0.33 -0.44 -1.51 0.00 0.00 179.97 178.44 3i7r h ASP 213 N -0.37 0.52 -0.48 -3.80 3.32 -1.89 -0.56 116.42 113.17 3i7r h ASP 213 Ca -0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i7r h ASP 213 Cb 0.30 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3i7r h ASP 213 CO 0.02 0.36 0.29 0.24 -1.72 0.00 0.00 179.24 178.43 3i7r h MET 214 N 0.65 0.65 -0.27 3.56 2.86 -1.15 0.13 114.93 121.36 3i7r h MET 214 Ca 0.24 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3i7r h MET 214 Cb 0.08 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3i7r h MET 214 CO -0.13 0.47 0.15 0.00 1.06 0.00 0.00 176.91 178.46 3i7r h ALA 215 N 1.14 0.35 -0.49 6.32 0.00 -0.57 -2.14 119.26 123.87 3i7r h ALA 215 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i7r h ALA 215 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3i7r h ALA 215 CO -0.03 -0.12 0.32 1.96 0.00 0.00 0.00 179.25 181.37 3i7r h GLN 216 N 0.32 0.64 -0.53 0.00 4.20 -0.84 -1.58 115.11 117.33 3i7r h GLN 216 Ca 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3i7r h GLN 216 Cb 0.06 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3i7r h GLN 216 CO -0.02 0.42 0.33 1.98 -0.67 0.00 0.00 178.83 180.88 3i7r h MET 217 N 0.66 0.71 -0.19 1.46 4.05 -0.63 -0.70 114.93 120.29 3i7r h MET 217 Ca 0.18 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 3i7r h MET 217 Cb -0.08 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 3i7r h MET 217 CO -0.04 0.50 -0.32 0.00 0.23 0.00 0.00 176.91 177.29 3i7r h LYS 219 N 0.32 -0.62 -0.85 0.00 3.64 -1.00 0.26 116.57 118.31 3i7r h LYS 219 Ca 0.04 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 3i7r h LYS 219 Cb 0.72 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.59 3i7r h LYS 219 CO 0.06 -0.34 0.44 -0.07 -2.27 0.00 0.00 179.45 177.27 3i7r h LEU 220 N -0.83 0.54 -0.14 5.20 3.38 -1.07 -1.36 115.31 121.03 3i7r h LEU 220 Ca -0.07 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3i7r h LEU 220 Cb 0.57 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3i7r h LEU 220 CO 0.11 0.23 0.06 0.00 0.09 0.00 0.00 178.44 178.93 3i7r h ALA 221 N 1.56 0.18 -0.03 1.53 0.00 -0.84 -0.14 119.26 121.51 3i7r h ALA 221 Ca 0.47 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3i7r h ALA 221 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i7r h ALA 221 CO -0.36 -0.26 0.03 0.00 0.00 0.00 0.00 179.25 178.66 3i7r h ALA 222 N 0.93 1.91 -0.00 0.00 0.00 -0.51 -0.74 119.26 120.84 3i7r h ALA 222 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i7r h ALA 222 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i7r h ALA 222 CO -0.01 -0.04 -0.18 0.39 0.00 0.00 0.00 179.25 179.41 3i7r n GLU 223 N -4.35 0.23 -0.68 0.00 1.02 -0.55 -4.92 120.64 111.39 3i7r n GLU 223 Ca -0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3i7r n GLU 223 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3i7r n GLU 223 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7r n GLY 224 N 1.43 0.64 2.78 0.62 0.00 -0.28 -4.98 105.19 105.40 3i7r n GLY 224 Ca 0.09 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3i7r n GLY 224 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i7r n HIS 225 N -2.68 2.93 -0.05 1.61 8.25 -0.14 -4.80 115.22 120.34 3i7r n HIS 225 Ca 0.00 -2.82 -0.16 0.00 -0.26 0.00 0.00 57.72 54.48 3i7r n HIS 225 Cb 0.00 -2.01 -0.06 0.00 1.12 0.00 0.00 29.99 29.03 3i7r n HIS 225 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i7r h PHE 226 N 5.61 1.04 -0.72 4.41 -1.00 -1.89 -1.88 116.94 122.50 3i7r h PHE 226 Ca 0.46 -0.42 0.15 0.00 2.81 0.00 0.00 57.97 60.97 3i7r h PHE 226 Cb 0.58 -0.18 -0.10 0.00 3.61 0.00 0.00 35.95 39.86 3i7r h PHE 226 CO 1.33 1.25 0.22 0.00 -1.61 0.00 0.00 178.31 179.50 3i7r h ALA 227 N 0.60 0.96 -0.10 2.45 0.00 -1.97 0.08 119.26 121.27 3i7r h ALA 227 Ca -0.02 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3i7r h ALA 227 Cb 1.26 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.23 3i7r h ALA 227 CO 0.14 -0.29 -0.62 1.49 0.00 0.00 0.00 179.25 179.97 3i7r h GLU 228 N 0.33 0.60 -0.70 0.00 4.81 -1.93 -3.04 114.58 114.65 3i7r h GLU 228 Ca 0.40 -0.51 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3i7r h GLU 228 Cb 0.65 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 3i7r h GLU 228 CO -0.46 1.13 0.46 0.00 -0.73 0.00 0.00 179.01 179.41 3i7r h ALA 229 N 0.47 1.57 -0.73 2.92 0.00 -1.11 -2.97 119.26 119.41 3i7r h ALA 229 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i7r h ALA 229 Cb 1.26 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3i7r h ALA 229 CO 0.13 0.36 0.44 -0.09 0.00 0.00 0.00 179.25 180.09 3i7r h ARG 230 N 0.87 0.99 -0.61 0.00 2.43 -0.87 -0.58 114.38 116.60 3i7r h ARG 230 Ca 0.27 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3i7r h ARG 230 Cb 0.01 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3i7r h ARG 230 CO -0.07 0.69 0.34 0.28 -1.51 0.00 0.00 179.97 179.70 3i7r h VAL 231 N 1.01 0.99 -0.27 0.20 2.07 -1.47 0.13 116.25 118.91 3i7r h VAL 231 Ca 0.26 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3i7r h VAL 231 Cb -0.04 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3i7r h VAL 231 CO -0.05 0.12 0.10 0.40 0.02 0.00 0.00 177.57 178.16 3i7r h ILE 232 N 0.65 1.18 -0.85 4.57 2.04 -1.35 -2.78 117.51 120.97 3i7r h ILE 232 Ca 0.27 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3i7r h ILE 232 Cb 0.13 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3i7r h ILE 232 CO -0.15 0.19 0.53 -1.13 0.00 0.00 0.00 178.15 177.58 3i7r h ASN 233 N 0.29 0.83 -0.15 1.72 -1.24 -0.48 -1.15 115.58 115.40 3i7r h ASN 233 Ca 0.09 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.05 3i7r h ASN 233 Cb 0.19 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 3i7r h ASN 233 CO -0.01 0.54 -0.11 1.56 -1.29 0.00 0.00 177.43 178.12 3i7r h GLN 234 N 0.97 0.50 -0.21 6.67 4.20 -0.88 0.35 115.11 126.70 3i7r h GLN 234 Ca 0.37 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3i7r h GLN 234 Cb 0.16 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3i7r h GLN 234 CO -0.17 0.61 -0.31 -0.09 -0.67 0.00 0.00 178.83 178.20 3i7r h ARG 235 N 0.46 0.42 -0.00 1.46 2.43 -1.06 -3.23 114.38 114.86 3i7r h ARG 235 Ca 0.09 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3i7r h ARG 235 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3i7r h ARG 235 CO 0.03 0.69 -0.66 1.28 -1.51 0.00 0.00 179.97 179.79 3i7r n LEU 236 N -4.09 0.81 -0.27 3.80 4.77 -0.45 -3.64 117.00 117.93 3i7r n LEU 236 Ca -0.01 -0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 55.68 3i7r n LEU 236 Cb 0.43 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3i7r n LEU 236 CO 0.42 0.19 1.17 -0.03 -1.33 0.00 0.00 177.39 177.81 3i7r h MET 237 N 0.24 0.98 0.00 3.23 4.05 -0.39 0.05 114.93 123.09 3i7r h MET 237 Ca 0.00 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3i7r h MET 237 Cb 0.51 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 3i7r h MET 237 CO 0.00 0.66 -0.01 -1.35 0.23 0.00 0.00 176.91 176.44 3i7r h PRO 238 N 1.00 0.00 -0.12 0.39 0.11 -1.79 -1.66 132.00 129.92 3i7r h PRO 238 Ca 0.27 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 3i7r h PRO 238 Cb -0.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.03 3i7r h PRO 238 CO -0.06 0.01 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.21 3i7r h LEU 239 N 0.00 0.62 -1.33 2.35 3.38 -1.31 0.17 115.31 119.18 3i7r h LEU 239 Ca -0.00 -0.62 0.20 0.00 0.09 0.00 0.00 57.88 57.55 3i7r h LEU 239 Cb 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 3i7r h LEU 239 CO 0.00 1.13 0.61 0.45 0.09 0.00 0.00 178.44 180.73 3i7r h HIS 240 N 0.13 0.73 0.00 1.13 3.86 -0.30 -1.15 115.15 119.55 3i7r h HIS 240 Ca -0.02 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3i7r h HIS 240 Cb 1.10 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 3i7r h HIS 240 CO 0.11 0.18 -0.65 -0.91 0.86 0.00 0.00 177.93 177.51 3i7r h ASN 241 N 0.53 0.00 1.12 2.45 -0.26 -1.28 -3.41 115.58 114.74 3i7r h ASN 241 Ca 0.52 -0.43 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3i7r h ASN 241 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 3i7r h ASN 241 CO -0.25 1.09 0.00 0.11 -1.06 0.00 0.00 177.43 177.32 3i7r h LYS 242 N -1.00 0.00 0.00 0.81 1.79 -0.52 -1.43 116.57 116.22 3i7r h LYS 242 Ca -0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3i7r h LYS 242 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3i7r h LYS 242 CO -0.09 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.56 3i7r n LEU 243 N -2.54 0.00 -0.29 2.94 4.77 -0.45 -1.48 117.00 119.95 3i7r n LEU 243 Ca 0.03 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 3i7r n LEU 243 Cb 0.33 -0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 3i7r n LEU 243 CO 0.26 -0.20 0.60 0.49 -1.33 0.00 0.00 177.39 177.21 3i7r n PHE 244 N -1.28 0.23 0.13 -1.77 3.01 -0.54 -4.47 117.46 112.78 3i7r n PHE 244 Ca 0.04 -1.00 0.03 0.00 1.01 0.00 0.00 57.45 57.53 3i7r n PHE 244 Cb 0.07 -0.20 0.41 0.00 -0.01 0.00 0.00 39.48 39.76 3i7r n PHE 244 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i7r h VAL 245 N 0.45 1.17 -2.81 -4.37 3.04 -1.35 -3.42 116.25 108.96 3i7r h VAL 245 Ca 0.00 -0.73 -0.46 0.00 -1.01 0.00 0.00 66.70 64.50 3i7r h VAL 245 Cb 1.11 1.20 -0.14 0.00 -2.01 0.00 0.00 31.29 31.45 3i7r h VAL 245 CO 0.06 0.23 -0.71 -1.61 -1.01 0.00 0.00 177.57 174.52 3i7r s GLU 246 N -4.74 1.40 0.13 4.17 2.02 -1.26 -5.08 118.70 115.34 3i7r s GLU 246 Ca -0.05 -1.66 -0.33 0.00 0.02 0.00 0.00 54.97 52.95 3i7r s GLU 246 Cb 0.16 -1.13 -0.13 0.00 0.10 0.00 0.00 34.13 33.13 3i7r s GLU 246 CO 0.73 0.13 1.66 -2.30 0.02 0.00 0.00 175.26 175.50 3i7r n PRO 247 N -0.45 2.31 -1.72 0.39 -0.02 -1.26 -4.54 135.00 129.71 3i7r n PRO 247 Ca -0.07 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 3i7r n PRO 247 Cb 0.61 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3i7r n PRO 247 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i7r n ASN 248 N 4.13 3.55 -1.98 2.55 5.15 -1.26 -0.69 115.26 126.71 3i7r n ASN 248 Ca 0.18 1.14 -0.11 0.00 -0.60 0.00 0.00 54.58 55.18 3i7r n ASN 248 Cb 0.31 -1.54 0.26 0.00 -0.53 0.00 0.00 39.78 38.27 3i7r n ASN 248 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i7r n PRO 249 N 2.31 3.13 -0.04 1.20 -0.04 -1.26 -4.93 135.00 135.35 3i7r n PRO 249 Ca 0.10 -3.07 -0.08 0.00 -0.04 0.00 0.00 63.50 60.41 3i7r n PRO 249 Cb 0.35 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 3i7r n PRO 249 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i7r h ILE 250 N 2.02 0.64 -0.36 0.52 2.04 -1.19 -1.95 117.51 119.23 3i7r h ILE 250 Ca 0.37 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.13 3i7r h ILE 250 Cb 2.43 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3i7r h ILE 250 CO 0.82 0.00 -0.18 -0.65 0.00 0.00 0.00 178.15 178.13 3i7r h PRO 251 N -0.09 0.75 -0.07 2.37 0.11 -1.78 -2.92 132.00 130.37 3i7r h PRO 251 Ca 0.12 -0.33 -0.12 0.00 0.11 0.00 0.00 66.00 65.78 3i7r h PRO 251 Cb 0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3i7r h PRO 251 CO -0.28 0.95 -0.49 -0.24 -0.21 0.00 0.00 178.00 177.73 3i7r h VAL 252 N 0.54 1.35 -0.40 3.15 3.04 -1.77 -0.55 116.25 121.61 3i7r h VAL 252 Ca 0.08 -1.71 -0.08 0.00 -1.01 0.00 0.00 66.70 63.98 3i7r h VAL 252 Cb 0.73 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 3i7r h VAL 252 CO 0.05 0.50 -0.06 0.11 -1.01 0.00 0.00 177.57 177.17 3i7r h LYS 253 N 0.14 0.75 -0.69 4.17 1.57 -1.41 0.06 116.57 121.18 3i7r h LYS 253 Ca 0.01 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3i7r h LYS 253 Cb 0.92 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 3i7r h LYS 253 CO 0.07 0.87 0.38 2.35 -0.57 0.00 0.00 179.45 182.55 3i7r h TRP 254 N 0.57 0.95 -0.58 -1.35 7.01 -1.28 -1.78 115.95 119.50 3i7r h TRP 254 Ca 0.11 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.10 3i7r h TRP 254 Cb 0.57 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.29 3i7r h TRP 254 CO 0.05 0.68 0.36 0.00 -2.79 0.00 0.00 178.44 176.73 3i7r h ALA 255 N 1.19 0.75 -0.61 2.65 0.00 -0.90 0.94 119.26 123.27 3i7r h ALA 255 Ca 0.24 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3i7r h ALA 255 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3i7r h ALA 255 CO -0.04 0.11 0.36 0.00 0.00 0.00 0.00 179.25 179.68 3i7r h LYS 257 N 0.71 0.83 -0.83 0.00 3.64 -0.86 0.64 116.57 120.70 3i7r h LYS 257 Ca 0.25 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3i7r h LYS 257 Cb 0.05 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3i7r h LYS 257 CO -0.12 0.88 0.41 1.49 -2.27 0.00 0.00 179.45 179.85 3i7r h GLU 258 N 0.69 1.18 0.00 1.90 4.57 -0.50 -1.11 114.58 121.31 3i7r h GLU 258 Ca 0.13 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3i7r h GLU 258 Cb 0.51 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3i7r h GLU 258 CO 0.02 0.89 0.00 1.28 -1.18 0.00 0.00 179.01 180.03 3i7r n LEU 259 N -4.32 0.00 0.00 1.64 4.77 0.11 -4.88 117.00 114.32 3i7r n LEU 259 Ca 0.08 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3i7r n LEU 259 Cb 0.13 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3i7r n LEU 259 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3i7r n GLY 260 N 0.85 0.49 0.09 -0.72 0.00 -0.42 -4.94 105.19 100.53 3i7r n GLY 260 Ca 0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 3i7r n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i7r h LEU 261 N 0.00 0.00 -8.68 0.99 3.38 -1.10 -3.46 115.31 106.44 3i7r h LEU 261 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3i7r h LEU 261 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3i7r h LEU 261 CO 0.00 0.85 -0.73 0.68 0.09 0.00 0.00 178.44 179.33 3i7r s VAL 262 N -2.89 1.33 0.10 1.22 -7.23 -1.17 -4.40 120.40 107.36 3i7r s VAL 262 Ca 0.01 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 3i7r s VAL 262 Cb 0.10 -1.77 -0.14 0.00 0.56 0.00 0.00 36.38 35.13 3i7r s VAL 262 CO 0.80 -0.61 1.33 0.00 -0.31 0.00 0.00 175.10 176.31 3i7r h ALA 263 N 2.99 0.34 -2.39 1.32 0.00 -1.89 -3.40 119.26 116.23 3i7r h ALA 263 Ca -0.38 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 3i7r h ALA 263 Cb 1.20 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 3i7r h ALA 263 CO 0.59 0.61 -0.69 0.95 0.00 0.00 0.00 179.25 180.71 3i7r s THR 264 N -3.89 0.29 -0.28 0.00 -4.23 -1.26 -5.02 115.64 101.24 3i7r s THR 264 Ca -0.11 -1.66 0.13 0.00 -1.18 0.00 0.00 61.69 58.87 3i7r s THR 264 Cb 0.08 -1.31 0.79 0.00 1.34 0.00 0.00 72.50 73.40 3i7r s THR 264 CO 0.88 -0.88 1.71 -0.90 -0.54 0.00 0.00 174.62 174.90 3i7r n ASP 265 N 0.38 5.49 -4.78 3.99 5.75 -1.26 -4.54 116.55 121.58 3i7r n ASP 265 Ca -0.16 -2.92 -0.41 0.00 -0.01 0.00 0.00 54.79 51.29 3i7r n ASP 265 Cb 0.60 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3i7r n ASP 265 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3i7r s THR 266 N -2.71 2.01 0.21 2.12 2.01 -1.26 -4.76 115.64 113.26 3i7r s THR 266 Ca 0.53 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.54 3i7r s THR 266 Cb 0.40 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 3i7r s THR 266 CO 0.15 0.00 0.06 -0.76 -0.69 0.00 0.00 174.62 173.38 3i7r s LEU 267 N -2.17 1.79 -0.15 4.42 1.02 -1.26 -4.42 118.68 117.92 3i7r s LEU 267 Ca 0.54 -1.29 -0.07 0.00 0.02 0.00 0.00 54.13 53.32 3i7r s LEU 267 Cb -0.47 0.04 -0.04 0.00 0.02 0.00 0.00 46.19 45.74 3i7r s LEU 267 CO 0.63 -0.67 0.12 -0.13 0.02 0.00 0.00 176.35 176.32 3i7r s ARG 268 N -4.00 3.67 0.29 1.70 0.52 -1.26 -4.91 118.95 114.96 3i7r s ARG 268 Ca 0.32 -0.20 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 3i7r s ARG 268 Cb 0.07 -3.22 -0.14 0.00 0.52 0.00 0.00 34.95 32.17 3i7r s ARG 268 CO 0.09 0.59 0.99 1.28 0.02 0.00 0.00 175.30 178.27 3i7r n LEU 269 N 2.58 1.67 -0.14 2.53 4.77 -1.26 -1.65 117.00 125.49 3i7r n LEU 269 Ca -0.18 1.18 0.05 0.00 -0.03 0.00 0.00 56.01 57.02 3i7r n LEU 269 Cb 0.54 -1.28 0.24 0.00 -2.33 0.00 0.00 43.42 40.60 3i7r n LEU 269 CO 0.33 -1.46 0.66 -0.81 -1.33 0.00 0.00 177.39 174.78 3i7r n PRO 270 N 0.73 1.18 -2.46 3.23 -0.04 -1.26 -4.95 135.00 131.43 3i7r n PRO 270 Ca 0.10 -0.28 -0.40 0.00 -0.04 0.00 0.00 63.50 62.88 3i7r n PRO 270 Cb 0.32 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 3i7r n PRO 270 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i7r s MET 271 N -1.92 4.57 0.22 0.54 -1.94 -0.66 -5.05 119.30 115.06 3i7r s MET 271 Ca 0.16 1.79 0.10 0.00 -1.71 0.00 0.00 55.69 56.03 3i7r s MET 271 Cb 0.08 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 3i7r s MET 271 CO 0.12 0.15 -0.18 0.95 -0.01 0.00 0.00 175.02 176.05 3i7r s THR 272 N -1.21 2.09 0.46 2.05 -4.23 -1.26 -4.54 115.64 108.99 3i7r s THR 272 Ca 0.46 -2.19 -0.24 0.00 -1.18 0.00 0.00 61.69 58.54 3i7r s THR 272 Cb -0.31 -2.10 -0.09 0.00 1.34 0.00 0.00 72.50 71.34 3i7r s THR 272 CO 0.40 -0.41 1.22 -2.65 -0.54 0.00 0.00 174.62 172.64 3i7r n PRO 273 N -0.23 1.72 -1.65 3.99 -0.02 -1.26 -4.90 135.00 132.64 3i7r n PRO 273 Ca -0.09 0.62 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 3i7r n PRO 273 Cb 0.59 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 3i7r n PRO 273 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3i7r n ILE 274 N -0.51 1.82 -1.58 4.25 3.06 -1.26 -4.98 119.36 120.15 3i7r n ILE 274 Ca 0.08 -0.46 -0.31 0.00 -2.50 0.00 0.00 62.75 59.57 3i7r n ILE 274 Cb 0.41 -1.32 0.05 0.00 0.54 0.00 0.00 39.64 39.32 3i7r n ILE 274 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3i7r s THR 275 N -0.91 4.02 0.28 9.51 -4.23 -1.26 -4.87 115.64 118.18 3i7r s THR 275 Ca 0.59 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.76 3i7r s THR 275 Cb -0.64 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.08 3i7r s THR 275 CO 0.59 -0.85 1.88 0.44 -0.54 0.00 0.00 174.62 176.15 3i7r h ASP 276 N -0.68 0.98 0.29 3.99 5.19 -2.00 0.15 116.42 124.34 3i7r h ASP 276 Ca -0.44 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 55.89 3i7r h ASP 276 Cb 1.21 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 3i7r h ASP 276 CO 0.57 0.61 -0.40 -1.28 -3.12 0.00 0.00 179.24 175.61 3i7r h SER 277 N 1.10 0.16 -0.03 6.45 0.87 -2.00 -2.77 113.55 117.33 3i7r h SER 277 Ca 0.44 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.76 3i7r h SER 277 Cb 0.25 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3i7r h SER 277 CO -0.19 0.55 -0.58 1.23 -0.53 0.00 0.00 176.83 177.31 3i7r h GLY 278 N 1.21 0.69 0.80 5.77 0.00 -1.59 -2.64 103.07 107.31 3i7r h GLY 278 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.54 3i7r h GLY 278 CO 0.06 0.74 0.08 3.21 0.00 0.00 0.00 176.54 180.63 3i7r h ARG 279 N 0.48 0.18 -0.71 4.80 3.08 -0.79 -1.41 114.38 120.00 3i7r h ARG 279 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3i7r h ARG 279 Cb 1.15 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 3i7r h ARG 279 CO 0.11 0.12 0.38 0.93 -1.07 0.00 0.00 179.97 180.44 3i7r h GLU 280 N 0.18 1.00 0.04 0.04 4.39 -1.52 -0.26 114.58 118.45 3i7r h GLU 280 Ca 0.10 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i7r h GLU 280 Cb 0.07 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3i7r h GLU 280 CO -0.11 0.76 -0.02 1.15 -1.16 0.00 0.00 179.01 179.63 3i7r h THR 281 N 0.99 0.98 -0.36 1.13 2.02 -1.23 -2.09 112.91 114.35 3i7r h THR 281 Ca 0.25 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.25 3i7r h THR 281 Cb 0.05 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3i7r h THR 281 CO -0.04 0.02 -0.24 0.58 0.37 0.00 0.00 175.52 176.21 3i7r h VAL 282 N -0.09 1.27 -0.64 3.16 2.07 -1.11 -2.34 116.25 118.58 3i7r h VAL 282 Ca -0.01 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3i7r h VAL 282 Cb 0.07 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3i7r h VAL 282 CO 0.01 0.44 0.37 -0.09 0.02 0.00 0.00 177.57 178.33 3i7r h ARG 283 N 0.63 0.88 -0.67 1.57 2.43 -0.96 -0.07 114.38 118.18 3i7r h ARG 283 Ca 0.09 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3i7r h ARG 283 Cb 0.74 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3i7r h ARG 283 CO 0.06 0.64 0.16 0.00 -1.51 0.00 0.00 179.97 179.32 3i7r h ALA 284 N 1.19 1.02 -0.43 2.80 0.00 -1.18 -0.91 119.26 121.74 3i7r h ALA 284 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3i7r h ALA 284 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i7r h ALA 284 CO -0.04 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.89 3i7r h ALA 285 N 1.16 0.57 -0.64 0.00 0.00 -1.03 0.32 119.26 119.64 3i7r h ALA 285 Ca 0.21 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i7r h ALA 285 Cb 0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3i7r h ALA 285 CO 0.00 0.32 0.36 -0.07 0.00 0.00 0.00 179.25 179.87 3i7r h LEU 286 N 0.58 0.55 -0.49 0.00 3.38 -0.88 -1.50 115.31 116.96 3i7r h LEU 286 Ca 0.13 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3i7r h LEU 286 Cb 0.42 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3i7r h LEU 286 CO 0.01 0.37 0.01 0.50 0.09 0.00 0.00 178.44 179.42 3i7r h LYS 287 N 0.69 0.85 -0.64 1.13 3.64 -0.89 -1.48 116.57 119.88 3i7r h LYS 287 Ca 0.28 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3i7r h LYS 287 Cb 0.14 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3i7r h LYS 287 CO -0.16 0.89 0.42 1.25 -2.27 0.00 0.00 179.45 179.58 3i7r h HIS 288 N 0.71 0.70 0.00 1.91 2.76 -0.68 0.10 115.15 120.65 3i7r h HIS 288 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3i7r h HIS 288 Cb 0.49 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3i7r h HIS 288 CO 0.04 0.40 0.00 0.00 -1.30 0.00 0.00 177.93 177.06 3i7r n ALA 289 N -2.46 2.42 -1.97 5.26 0.00 -0.59 -4.88 120.51 118.30 3i7r n ALA 289 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 3i7r n ALA 289 Cb 0.17 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 3i7r n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7r n GLY 290 N 0.92 0.23 0.01 0.00 0.00 0.36 -4.93 105.19 101.77 3i7r n GLY 290 Ca 0.16 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.74 3i7r n GLY 290 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i7r n LEU 291 N -1.22 0.00 -0.24 0.99 4.77 -0.60 -5.02 117.00 115.68 3i7r n LEU 291 Ca -0.10 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.91 3i7r n LEU 291 Cb 0.52 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3i7r n LEU 291 CO 0.13 0.00 0.34 0.18 -1.33 0.00 0.00 177.39 176.71