#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 0.00 -4.37 1.12 3.01 -1.26 -4.64 117.46 111.32 3i7r n PHE 2 Ca 0.00 -1.32 -0.19 0.00 1.01 0.00 0.00 57.45 56.96 3i7r n PHE 2 Cb 0.00 -0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 39.15 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 -3.00 0.84 0.00 4.37 -4.23 -1.26 -4.88 115.64 107.47 3i7r s THR 3 Ca 0.36 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3i7r s THR 3 Cb 0.34 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3i7r s THR 3 CO -0.05 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3i7r n GLY 4 N -0.55 -0.09 3.56 3.99 0.00 -0.69 -4.69 105.19 106.73 3i7r n GLY 4 Ca -0.01 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 6.46 -0.12 1.61 0.15 -1.26 -1.27 113.70 115.27 3i7r s SER 5 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.77 3i7r s SER 5 Cb 0.00 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 3i7r s SER 5 CO 0.00 -0.76 -0.13 -0.63 1.20 0.00 0.00 173.24 172.92 3i7r s ILE 6 N 3.04 3.03 -0.13 6.45 1.01 -0.11 -0.35 121.20 134.14 3i7r s ILE 6 Ca 0.29 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 3i7r s ILE 6 Cb -0.13 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3i7r s ILE 6 CO 0.18 0.54 0.40 0.54 0.00 0.00 0.00 174.94 176.60 3i7r s VAL 7 N 0.19 5.23 -0.83 2.92 0.11 -0.65 0.11 120.40 127.48 3i7r s VAL 7 Ca -0.08 0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 59.53 3i7r s VAL 7 Cb -0.15 -3.74 0.08 0.00 -1.53 0.00 0.00 36.38 31.03 3i7r s VAL 7 CO 0.05 0.36 1.18 0.00 -3.33 0.00 0.00 175.10 173.35 3i7r s ALA 8 N 0.51 3.03 0.25 1.54 0.00 0.68 -0.30 121.76 127.46 3i7r s ALA 8 Ca 0.22 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.77 3i7r s ALA 8 Cb -0.14 -4.14 -0.09 0.00 0.00 0.00 0.00 23.12 18.75 3i7r s ALA 8 CO 0.08 -3.12 0.93 -1.50 0.00 0.00 0.00 175.76 172.15 3i7r s ILE 9 N 4.18 4.11 0.62 0.00 2.07 -0.60 -4.71 121.20 126.86 3i7r s ILE 9 Ca 0.33 2.03 -0.18 0.00 -1.41 0.00 0.00 60.65 61.42 3i7r s ILE 9 Cb -0.08 -4.27 -0.02 0.00 0.13 0.00 0.00 42.46 38.21 3i7r s ILE 9 CO 0.01 0.45 1.19 0.68 -1.91 0.00 0.00 174.94 175.35 3i7r s VAL 10 N -1.24 2.71 -0.59 4.00 -7.23 -1.26 -3.20 120.40 113.59 3i7r s VAL 10 Ca 0.42 0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 60.84 3i7r s VAL 10 Cb -0.25 -3.10 0.13 0.00 0.56 0.00 0.00 36.38 33.73 3i7r s VAL 10 CO 0.31 -0.12 0.60 -0.89 -0.31 0.00 0.00 175.10 174.68 3i7r s THR 11 N -1.77 5.12 0.27 5.32 2.01 -1.26 -4.90 115.64 120.44 3i7r s THR 11 Ca 0.75 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 3i7r s THR 11 Cb -0.28 -4.41 -0.10 0.00 0.01 0.00 0.00 72.50 67.72 3i7r s THR 11 CO 0.35 -0.98 1.30 -2.16 -0.69 0.00 0.00 174.62 172.44 3i7r s PRO 12 N 1.81 4.39 0.07 4.92 0.04 -1.26 -4.95 135.00 140.02 3i7r s PRO 12 Ca 0.08 2.12 0.06 0.00 0.04 0.00 0.00 61.00 63.30 3i7r s PRO 12 Cb -0.26 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 3i7r s PRO 12 CO 0.03 -0.18 -0.18 -1.64 0.04 0.00 0.00 177.00 175.07 3i7r s MET 13 N -1.04 1.07 1.17 4.56 -1.94 -1.26 -0.82 119.30 121.03 3i7r s MET 13 Ca 0.52 -0.96 -0.20 0.00 -1.71 0.00 0.00 55.69 53.34 3i7r s MET 13 Cb -0.38 -1.18 0.29 0.00 2.01 0.00 0.00 34.83 35.57 3i7r s MET 13 CO 0.46 0.28 1.17 -0.40 -0.01 0.00 0.00 175.02 176.52 3i7r n ASP 14 N 1.52 -1.49 0.10 3.03 5.68 0.22 -4.20 116.55 121.41 3i7r n ASP 14 Ca -0.19 -1.26 0.09 0.00 -0.50 0.00 0.00 54.79 52.93 3i7r n ASP 14 Cb 0.54 -1.02 0.42 0.00 -1.14 0.00 0.00 41.12 39.93 3i7r n ASP 14 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i7r n GLU 15 N -4.58 0.12 -0.03 0.11 0.00 -1.26 -1.66 120.64 113.34 3i7r n GLU 15 Ca 0.16 0.44 0.13 0.00 0.00 0.00 0.00 57.16 57.88 3i7r n GLU 15 Cb 0.59 -1.77 0.38 0.00 0.00 0.00 0.00 31.44 30.64 3i7r n GLU 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i7r n LYS 16 N -2.01 1.88 -0.78 3.44 5.02 -1.26 -4.94 118.16 119.50 3i7r n LYS 16 Ca 0.01 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 3i7r n LYS 16 Cb 0.15 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.23 0.57 3.86 0.72 0.00 -0.66 -5.06 105.19 105.85 3i7r n GLY 17 Ca 0.17 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.27 6.70 0.19 1.61 0.02 -1.26 -4.83 114.94 115.10 3i7r s ASN 18 Ca 0.00 0.87 -0.33 0.00 -1.02 0.00 0.00 52.86 52.38 3i7r s ASN 18 Cb 0.00 -2.21 -0.13 0.00 0.02 0.00 0.00 41.25 38.93 3i7r s ASN 18 CO 0.00 0.18 1.55 0.55 0.02 0.00 0.00 177.10 179.40 3i7r n VAL 19 N 1.02 0.28 -3.49 1.60 3.14 -1.26 -0.61 118.33 119.02 3i7r n VAL 19 Ca -0.08 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.80 3i7r n VAL 19 Cb 0.52 -1.59 -0.10 0.00 -1.06 0.00 0.00 33.84 31.62 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 8.59 0.96 -0.50 0.00 2.43 -1.92 -1.99 114.38 121.95 3i7r h ARG 21 Ca -0.26 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 3i7r h ARG 21 Cb 1.11 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3i7r h ARG 21 CO 0.77 0.72 0.08 0.00 -1.51 0.00 0.00 179.97 180.02 3i7r h ALA 22 N 1.19 1.19 -0.03 2.80 0.00 -1.99 0.00 119.26 122.43 3i7r h ALA 22 Ca 0.25 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3i7r h ALA 22 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i7r h ALA 22 CO -0.04 0.54 -0.75 0.77 0.00 0.00 0.00 179.25 179.77 3i7r h SER 23 N 0.75 0.28 -0.30 0.00 0.02 -1.84 -2.81 113.55 109.65 3i7r h SER 23 Ca 0.16 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 3i7r h SER 23 Cb 0.34 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3i7r h SER 23 CO 0.01 0.92 -0.19 0.25 -1.14 0.00 0.00 176.83 176.68 3i7r h LEU 24 N 0.15 0.68 -0.30 5.07 5.85 -0.78 -1.34 115.31 124.64 3i7r h LEU 24 Ca -0.03 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3i7r h LEU 24 Cb 1.32 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3i7r h LEU 24 CO 0.12 0.97 -0.01 0.50 -0.34 0.00 0.00 178.44 179.67 3i7r h LYS 25 N 0.40 0.07 -0.25 1.25 3.64 -1.04 -0.55 116.57 120.10 3i7r h LYS 25 Ca 0.06 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3i7r h LYS 25 Cb 0.73 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 3i7r h LYS 25 CO 0.05 0.05 0.02 -0.22 -2.27 0.00 0.00 179.45 177.08 3i7r h LYS 26 N 0.07 0.11 -0.61 1.90 3.64 -1.34 0.32 116.57 120.66 3i7r h LYS 26 Ca 0.14 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3i7r h LYS 26 Cb 0.20 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3i7r h LYS 26 CO -0.25 0.07 0.32 -0.07 -2.27 0.00 0.00 179.45 177.25 3i7r h LEU 27 N 0.11 0.47 -0.16 5.20 3.38 -0.77 -0.98 115.31 122.56 3i7r h LEU 27 Ca 0.11 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3i7r h LEU 27 Cb 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i7r h LEU 27 CO -0.17 0.31 -0.05 0.40 0.09 0.00 0.00 178.44 179.02 3i7r h ILE 28 N 0.61 1.29 -0.99 1.22 2.04 -0.64 -1.86 117.51 119.18 3i7r h ILE 28 Ca 0.27 -1.03 0.13 0.00 1.00 0.00 0.00 64.86 65.24 3i7r h ILE 28 Cb 0.18 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 3i7r h ILE 28 CO -0.18 0.30 0.63 0.44 0.00 0.00 0.00 178.15 179.34 3i7r h ASP 29 N 0.02 0.89 -0.32 1.72 3.32 -0.79 -0.68 116.42 120.58 3i7r h ASP 29 Ca 0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3i7r h ASP 29 Cb 0.49 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3i7r h ASP 29 CO 0.02 0.46 0.20 0.22 -1.72 0.00 0.00 179.24 178.42 3i7r h TYR 30 N 0.95 0.41 -0.20 4.55 3.20 -0.85 -1.13 116.97 123.89 3i7r h TYR 30 Ca 0.50 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.22 3i7r h TYR 30 Cb 0.54 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3i7r h TYR 30 CO -0.00 0.27 -0.51 0.45 -1.64 0.00 0.00 178.16 176.72 3i7r h HIS 31 N 0.42 0.69 -0.22 -3.82 3.86 -0.81 -1.35 115.15 113.92 3i7r h HIS 31 Ca 0.12 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3i7r h HIS 31 Cb -0.03 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3i7r h HIS 31 CO -0.05 0.95 0.08 0.28 0.86 0.00 0.00 177.93 180.05 3i7r h VAL 32 N 0.44 0.95 0.00 2.45 2.07 -1.05 -2.70 116.25 118.41 3i7r h VAL 32 Ca 0.02 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3i7r h VAL 32 Cb 1.05 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3i7r h VAL 32 CO 0.10 0.03 -0.20 0.00 0.02 0.00 0.00 177.57 177.52 3i7r h ALA 33 N 1.13 1.08 -0.02 1.67 0.00 -1.09 -3.18 119.26 118.86 3i7r h ALA 33 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i7r h ALA 33 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i7r h ALA 33 CO -0.09 0.25 -0.28 0.43 0.00 0.00 0.00 179.25 179.56 3i7r n SER 34 N -3.45 2.16 -0.09 0.00 7.64 -0.52 -4.98 113.62 114.36 3i7r n SER 34 Ca -0.00 -1.58 -0.01 0.00 1.01 0.00 0.00 58.87 58.28 3i7r n SER 34 Cb 0.38 0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 1.37 0.40 3.77 0.23 0.00 -1.04 -4.11 105.19 105.81 3i7r n GLY 35 Ca 0.12 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 3i7r n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i7r n THR 36 N -3.40 1.67 0.04 2.61 -1.04 -1.05 -4.82 114.28 108.29 3i7r n THR 36 Ca -0.01 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.05 61.43 3i7r n THR 36 Cb 0.23 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 66.70 3i7r n THR 36 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3i7r h SER 37 N 3.59 0.69 -5.00 8.00 0.02 -0.98 -3.46 113.55 116.41 3i7r h SER 37 Ca -0.50 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.01 3i7r h SER 37 Cb 1.23 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 63.47 3i7r h SER 37 CO 0.69 1.30 0.33 0.00 -1.14 0.00 0.00 176.83 178.01 3i7r s ALA 38 N -3.43 -1.54 -0.16 3.77 0.00 -1.25 -4.28 121.76 114.86 3i7r s ALA 38 Ca -0.08 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3i7r s ALA 38 Cb 0.09 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3i7r s ALA 38 CO 0.88 -0.89 -0.11 0.42 0.00 0.00 0.00 175.76 176.06 3i7r s ILE 39 N -3.58 3.07 -0.31 0.00 1.01 -0.63 -1.63 121.20 119.13 3i7r s ILE 39 Ca 0.07 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 3i7r s ILE 39 Cb -0.03 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3i7r s ILE 39 CO -0.03 0.50 0.54 -0.69 0.00 0.00 0.00 174.94 175.25 3i7r s VAL 40 N 0.75 5.01 -0.22 2.92 1.01 0.58 -0.39 120.40 130.07 3i7r s VAL 40 Ca -0.05 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 3i7r s VAL 40 Cb -0.15 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3i7r s VAL 40 CO 0.01 -0.10 0.13 -0.55 0.00 0.00 0.00 175.10 174.60 3i7r s SER 41 N 1.67 6.04 -1.26 3.32 0.15 0.59 -1.55 113.70 122.66 3i7r s SER 41 Ca 0.21 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 3i7r s SER 41 Cb -0.15 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 3i7r s SER 41 CO 0.12 0.12 0.91 0.52 1.20 0.00 0.00 173.24 176.11 3i7r n VAL 42 N 3.89 -5.16 -1.64 4.45 0.31 -1.26 -1.02 118.33 117.90 3i7r n VAL 42 Ca -0.16 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3i7r n VAL 42 Cb 0.52 -4.45 0.00 0.00 -0.91 0.00 0.00 33.84 29.00 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 -1.36 0.48 0.23 2.92 0.00 -1.26 -4.03 105.19 102.18 3i7r n GLY 43 Ca -0.26 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.31 0.44 0.00 2.61 2.02 -1.96 0.14 112.91 115.85 3i7r h THR 44 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3i7r h THR 44 Cb 0.00 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3i7r h THR 44 CO 0.00 0.00 -0.06 0.74 0.37 0.00 0.00 175.52 176.57 3i7r h THR 45 N -0.04 0.34 -0.41 3.16 2.02 -1.87 -1.68 112.91 114.42 3i7r h THR 45 Ca 0.24 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3i7r h THR 45 Cb 0.40 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3i7r h THR 45 CO -0.53 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.03 3i7r n GLY 46 N -0.72 1.17 3.37 2.16 0.00 0.01 -4.27 105.19 106.91 3i7r n GLY 46 Ca -0.02 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 0.69 -7.07 -0.34 1.61 1.02 -0.63 -4.24 120.64 111.67 3i7r n GLU 47 Ca 0.14 0.75 0.15 0.00 -0.02 0.00 0.00 57.16 58.19 3i7r n GLU 47 Cb 0.42 -5.54 0.37 0.00 -0.02 0.00 0.00 31.44 26.67 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 -2.37 0.69 -0.72 1.62 4.64 -1.65 -1.62 113.55 114.14 3i7r h SER 48 Ca -0.51 0.10 0.15 0.00 -0.47 0.00 0.00 61.79 61.05 3i7r h SER 48 Cb 1.33 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.35 3i7r h SER 48 CO 0.50 0.22 0.48 0.00 -0.87 0.00 0.00 176.83 177.16 3i7r h ALA 49 N 1.65 2.15 -0.12 5.18 0.00 -1.87 -3.11 119.26 123.15 3i7r h ALA 49 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3i7r h ALA 49 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i7r h ALA 49 CO -0.36 -0.34 0.00 0.25 0.00 0.00 0.00 179.25 178.79 3i7r n THR 50 N -4.46 0.95 -3.89 0.00 -2.24 -0.63 -4.92 114.28 99.09 3i7r n THR 50 Ca 0.13 -0.98 -0.36 0.00 -2.27 0.00 0.00 64.05 60.57 3i7r n THR 50 Cb 0.53 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.97 4.27 0.86 3.22 1.43 -1.11 -5.04 118.68 121.34 3i7r s LEU 51 Ca 0.08 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 3i7r s LEU 51 Cb 0.04 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.32 3i7r s LEU 51 CO 0.06 0.35 1.10 0.54 0.23 0.00 0.00 176.35 178.62 3i7r s ASN 52 N -0.66 3.89 0.53 2.29 2.20 -1.26 -4.76 114.94 117.16 3i7r s ASN 52 Ca 0.13 1.36 0.19 0.00 -0.94 0.00 0.00 52.86 53.60 3i7r s ASN 52 Cb -0.12 -2.06 1.32 0.00 -2.00 0.00 0.00 41.25 38.40 3i7r s ASN 52 CO 0.02 -2.36 2.12 0.45 -2.94 0.00 0.00 177.10 174.40 3i7r h HIS 53 N -1.36 0.00 -0.01 1.54 3.86 -1.98 0.76 115.15 117.96 3i7r h HIS 53 Ca -0.49 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.72 3i7r h HIS 53 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 3i7r h HIS 53 CO 0.43 0.00 0.00 -0.44 0.86 0.00 0.00 177.93 178.78 3i7r h ASP 54 N 0.00 0.02 -0.44 2.45 5.19 -1.99 -0.33 116.42 121.33 3i7r h ASP 54 Ca 0.05 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 3i7r h ASP 54 Cb 0.22 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3i7r h ASP 54 CO -0.00 0.31 0.15 -0.33 -3.12 0.00 0.00 179.24 176.25 3i7r h GLU 55 N -0.27 0.67 -0.21 3.56 5.08 -1.70 0.13 114.58 121.85 3i7r h GLU 55 Ca 0.00 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3i7r h GLU 55 Cb 0.30 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 3i7r h GLU 55 CO 0.00 0.64 -0.47 1.25 -1.00 0.00 0.00 179.01 179.42 3i7r h HIS 56 N 0.57 -1.39 -0.83 4.33 2.76 -0.88 0.22 115.15 119.92 3i7r h HIS 56 Ca 0.14 0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 3i7r h HIS 56 Cb 0.23 0.64 -0.05 0.00 1.55 0.00 0.00 27.41 29.77 3i7r h HIS 56 CO 0.01 -0.50 0.52 0.00 -1.30 0.00 0.00 177.93 176.66 3i7r h ALA 57 N 0.03 1.11 -0.54 5.26 0.00 -0.86 -2.24 119.26 122.02 3i7r h ALA 57 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i7r h ALA 57 Cb 0.64 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3i7r h ALA 57 CO -0.46 0.31 0.32 0.22 0.00 0.00 0.00 179.25 179.64 3i7r h ASP 58 N 0.99 0.51 -0.25 0.00 3.58 0.15 -1.26 116.42 120.14 3i7r h ASP 58 Ca 0.34 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 3i7r h ASP 58 Cb 0.08 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3i7r h ASP 58 CO -0.14 0.36 0.06 0.58 -2.88 0.00 0.00 179.24 177.22 3i7r h VAL 59 N 0.63 1.21 -0.41 2.25 2.07 -0.28 -1.01 116.25 120.72 3i7r h VAL 59 Ca 0.22 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3i7r h VAL 59 Cb 0.03 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3i7r h VAL 59 CO -0.10 0.22 0.26 0.58 0.02 0.00 0.00 177.57 178.54 3i7r h VAL 60 N 0.23 1.08 -0.46 2.57 2.07 -1.20 0.64 116.25 121.17 3i7r h VAL 60 Ca 0.08 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3i7r h VAL 60 Cb 0.28 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3i7r h VAL 60 CO 0.00 0.10 0.08 0.24 0.02 0.00 0.00 177.57 178.01 3i7r h MET 61 N 0.52 0.76 -0.67 1.57 2.07 -1.11 -1.00 114.93 117.07 3i7r h MET 61 Ca 0.15 -0.20 0.01 0.00 -2.07 0.00 0.00 59.70 57.59 3i7r h MET 61 Cb -0.03 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 29.57 3i7r h MET 61 CO -0.05 0.77 0.44 1.98 1.07 0.00 0.00 176.91 181.12 3i7r h MET 62 N 0.63 0.88 -0.30 1.72 -1.53 -1.02 -0.15 114.93 115.16 3i7r h MET 62 Ca 0.14 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.36 3i7r h MET 62 Cb 0.37 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.20 3i7r h MET 62 CO 0.01 0.58 0.18 1.15 0.14 0.00 0.00 176.91 178.97 3i7r h THR 63 N 0.91 1.03 -0.73 -0.77 2.02 -0.32 0.13 112.91 115.17 3i7r h THR 63 Ca 0.25 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3i7r h THR 63 Cb -0.10 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 3i7r h THR 63 CO -0.06 0.07 0.43 -0.07 0.37 0.00 0.00 175.52 176.26 3i7r h LEU 64 N 0.36 0.90 0.22 2.58 3.38 -0.97 0.21 115.31 122.00 3i7r h LEU 64 Ca 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i7r h LEU 64 Cb -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3i7r h LEU 64 CO -0.05 0.71 -0.11 -0.78 0.09 0.00 0.00 178.44 178.30 3i7r h ASP 65 N 1.01 -0.25 -0.73 -0.43 3.58 -0.50 -0.85 116.42 118.25 3i7r h ASP 65 Ca 0.26 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 3i7r h ASP 65 Cb -0.00 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 3i7r h ASP 65 CO -0.05 -0.10 0.31 -0.07 -2.88 0.00 0.00 179.24 176.46 3i7r h LEU 66 N -0.39 0.99 -0.88 2.28 3.38 -0.63 -2.59 115.31 117.47 3i7r h LEU 66 Ca -0.03 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3i7r h LEU 66 Cb 0.30 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3i7r h LEU 66 CO 0.05 0.88 0.54 0.00 0.09 0.00 0.00 178.44 180.00 3i7r h ALA 67 N 1.15 1.23 -6.19 1.53 0.00 -0.43 -3.46 119.26 113.08 3i7r h ALA 67 Ca 0.25 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.71 3i7r h ALA 67 Cb 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i7r h ALA 67 CO -0.02 0.27 -0.79 -3.47 0.00 0.00 0.00 179.25 175.23 3i7r n ASP 68 N -4.62 -2.98 0.00 0.00 2.03 -0.34 -1.33 116.55 109.31 3i7r n ASP 68 Ca 0.13 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.64 3i7r n ASP 68 Cb 0.20 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.63 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 -1.65 0.77 0.19 0.27 0.00 -1.26 -4.88 105.19 98.62 3i7r n GLY 69 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 2.04 0.00 -2.49 1.61 3.08 -1.58 -3.45 114.38 113.60 3i7r h ARG 70 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3i7r h ARG 70 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 3i7r h ARG 70 CO 0.00 0.00 -0.18 -1.50 -1.07 0.00 0.00 179.97 177.22 3i7r s ILE 71 N -3.19 -0.01 0.42 2.04 2.07 -1.26 -4.95 121.20 116.32 3i7r s ILE 71 Ca 0.08 0.04 -0.25 0.00 -1.41 0.00 0.00 60.65 59.10 3i7r s ILE 71 Cb 0.07 -0.71 -0.08 0.00 0.13 0.00 0.00 42.46 41.87 3i7r s ILE 71 CO 0.65 0.02 1.27 -2.84 -1.91 0.00 0.00 174.94 172.13 3i7r s PRO 72 N 0.99 3.92 -0.09 3.50 0.02 -1.26 -4.90 135.00 137.18 3i7r s PRO 72 Ca -0.06 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.06 3i7r s PRO 72 Cb -0.06 -2.69 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 3i7r s PRO 72 CO -0.09 -0.50 -0.18 0.08 -0.33 0.00 0.00 177.00 175.98 3i7r s VAL 73 N -1.31 2.62 -0.16 3.83 1.01 -1.26 -1.60 120.40 123.53 3i7r s VAL 73 Ca 0.58 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3i7r s VAL 73 Cb -0.36 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3i7r s VAL 73 CO 0.46 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 175.36 3i7r s ILE 74 N 0.04 2.91 -0.01 2.22 1.01 0.48 -0.87 121.20 126.97 3i7r s ILE 74 Ca -0.07 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 3i7r s ILE 74 Cb -0.15 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 3i7r s ILE 74 CO 0.05 0.50 0.56 0.00 0.00 0.00 0.00 174.94 176.05 3i7r s ALA 75 N 0.83 3.51 0.05 9.38 0.00 -0.82 -0.30 121.76 134.41 3i7r s ALA 75 Ca -0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 3i7r s ALA 75 Cb -0.15 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 3i7r s ALA 75 CO 0.00 0.19 1.48 0.20 0.00 0.00 0.00 175.76 177.63 3i7r s GLY 76 N -0.24 1.78 -0.02 0.00 0.00 -0.19 -0.84 107.32 107.82 3i7r s GLY 76 Ca 0.30 1.04 0.03 0.00 0.00 0.00 0.00 44.72 46.09 3i7r s GLY 76 CO 0.16 2.59 0.87 -1.30 0.00 0.00 0.00 173.10 175.42 3i7r n THR 77 N 4.52 0.54 -2.42 0.90 -2.24 -0.57 -4.87 114.28 110.14 3i7r n THR 77 Ca 0.14 -0.61 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 3i7r n THR 77 Cb 0.42 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.03 2.65 0.05 3.38 0.00 -1.24 -4.73 107.32 106.40 3i7r s GLY 78 Ca 0.06 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.32 3i7r s GLY 78 CO 0.01 1.13 0.48 0.00 0.00 0.00 0.00 173.10 174.71 3i7r s ALA 79 N -1.77 -1.20 -2.59 3.20 0.00 -1.26 -4.90 121.76 113.24 3i7r s ALA 79 Ca 0.66 0.45 0.26 0.00 0.00 0.00 0.00 51.96 53.33 3i7r s ALA 79 Cb -0.22 0.41 0.79 0.00 0.00 0.00 0.00 23.12 24.10 3i7r s ALA 79 CO 0.26 -0.50 1.60 0.27 0.00 0.00 0.00 175.76 177.39 3i7r n ASN 80 N 0.38 1.94 -4.35 0.00 6.94 -1.26 -4.35 115.26 114.56 3i7r n ASN 80 Ca -0.18 -1.66 -0.33 0.00 -0.02 0.00 0.00 54.58 52.39 3i7r n ASN 80 Cb 0.60 -0.02 -0.14 0.00 -2.36 0.00 0.00 39.78 37.86 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 -1.96 2.67 0.23 -2.53 0.00 -1.26 -4.86 121.76 114.05 3i7r s ALA 81 Ca 0.35 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 3i7r s ALA 81 Cb 0.20 -1.33 0.22 0.00 0.00 0.00 0.00 23.12 22.21 3i7r s ALA 81 CO 0.32 0.08 1.89 1.15 0.00 0.00 0.00 175.76 179.20 3i7r h THR 82 N 5.48 1.25 -0.48 0.00 2.02 -1.95 -0.79 112.91 118.44 3i7r h THR 82 Ca -0.30 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 3i7r h THR 82 Cb 1.20 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3i7r h THR 82 CO 0.57 0.25 0.02 0.00 0.37 0.00 0.00 175.52 176.73 3i7r h ALA 83 N 1.32 1.14 -0.21 6.16 0.00 -1.98 -0.44 119.26 125.26 3i7r h ALA 83 Ca 0.33 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3i7r h ALA 83 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i7r h ALA 83 CO -0.07 0.56 -0.10 1.49 0.00 0.00 0.00 179.25 181.13 3i7r h GLU 84 N 0.73 0.44 -0.49 0.00 4.57 -1.81 -0.95 114.58 117.06 3i7r h GLU 84 Ca 0.15 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3i7r h GLU 84 Cb 0.42 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3i7r h GLU 84 CO 0.02 0.72 0.29 0.00 -1.18 0.00 0.00 179.01 178.85 3i7r h ALA 85 N 0.71 0.63 -0.02 2.92 0.00 -0.95 -0.05 119.26 122.49 3i7r h ALA 85 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i7r h ALA 85 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i7r h ALA 85 CO 0.03 -0.02 -0.02 0.82 0.00 0.00 0.00 179.25 180.06 3i7r h ILE 86 N 0.57 0.94 -0.43 0.00 2.04 -1.00 -1.51 117.51 118.12 3i7r h ILE 86 Ca 0.20 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.11 3i7r h ILE 86 Cb 0.04 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3i7r h ILE 86 CO -0.10 0.00 0.17 0.28 0.00 0.00 0.00 178.15 178.50 3i7r h SER 87 N -0.03 0.19 -0.42 1.72 0.02 -0.87 -2.24 113.55 111.93 3i7r h SER 87 Ca 0.02 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3i7r h SER 87 Cb 0.05 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3i7r h SER 87 CO -0.04 0.15 0.06 0.25 -1.14 0.00 0.00 176.83 176.11 3i7r h LEU 88 N 0.34 0.74 -0.66 5.07 5.85 -0.78 -2.15 115.31 123.72 3i7r h LEU 88 Ca 0.20 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i7r h LEU 88 Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3i7r h LEU 88 CO -0.19 0.77 0.43 0.74 -0.34 0.00 0.00 178.44 179.85 3i7r h THR 89 N 0.74 1.18 -0.69 1.05 2.02 -0.81 -2.70 112.91 113.71 3i7r h THR 89 Ca 0.16 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.05 3i7r h THR 89 Cb 0.37 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3i7r h THR 89 CO 0.01 0.17 0.45 1.56 0.37 0.00 0.00 175.52 178.09 3i7r h GLN 90 N 0.90 0.72 -0.33 6.66 1.08 -0.82 -0.95 115.11 122.37 3i7r h GLN 90 Ca 0.24 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.49 3i7r h GLN 90 Cb -0.08 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 3i7r h GLN 90 CO -0.05 0.47 0.30 0.00 -0.95 0.00 0.00 178.83 178.60 3i7r h ARG 91 N 0.74 0.00 0.00 1.46 3.08 -1.23 -3.10 114.38 115.32 3i7r h ARG 91 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3i7r h ARG 91 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3i7r h ARG 91 CO -0.09 0.00 -0.99 1.19 -1.07 0.00 0.00 179.97 179.01 3i7r n PHE 92 N -3.99 0.00 -1.62 3.04 3.01 -0.38 -4.86 117.46 112.65 3i7r n PHE 92 Ca 0.05 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.02 3i7r n PHE 92 Cb 0.46 -0.09 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.54 2.12 -0.37 4.37 3.02 -1.09 -1.51 115.26 120.26 3i7r n ASN 93 Ca 0.02 1.12 -0.05 0.00 -0.03 0.00 0.00 54.58 55.64 3i7r n ASN 93 Cb 0.29 -1.29 -0.02 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 2.58 -5.32 0.13 6.41 8.00 -1.26 -4.86 116.55 122.22 3i7r n ASP 94 Ca 0.16 0.12 0.01 0.00 0.71 0.00 0.00 54.79 55.79 3i7r n ASP 94 Cb 0.25 -3.24 0.05 0.00 -0.02 0.00 0.00 41.12 38.15 3i7r n ASP 94 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3i7r h SER 95 N 0.00 0.00 0.00 -2.24 4.64 -1.60 -3.47 113.55 110.87 3i7r h SER 95 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3i7r h SER 95 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3i7r h SER 95 CO 0.14 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 3i7r n GLY 96 N 1.05 0.95 3.71 -0.77 0.00 -1.26 -5.07 105.19 103.81 3i7r n GLY 96 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.11 -1.86 -0.61 -4.36 -1.26 -4.79 121.20 108.43 3i7r s ILE 97 Ca 0.00 0.05 0.22 0.00 -0.26 0.00 0.00 60.65 60.67 3i7r s ILE 97 Cb 0.00 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.10 3i7r s ILE 97 CO 0.00 -0.03 1.06 1.33 0.24 0.00 0.00 174.94 177.54 3i7r n VAL 98 N -3.01 0.00 0.00 8.37 0.24 -0.05 -4.98 118.33 118.90 3i7r n VAL 98 Ca 0.14 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3i7r n VAL 98 Cb 0.50 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 3i7r n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i7r n GLY 99 N 1.43 0.12 3.28 7.63 0.00 -1.26 -4.35 105.19 112.04 3i7r n GLY 99 Ca 0.08 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 3i7r n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7r s LEU 101 N -1.22 3.29 -0.19 0.00 2.96 -0.02 -0.07 118.68 123.43 3i7r s LEU 101 Ca 0.09 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3i7r s LEU 101 Cb -0.09 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.80 3i7r s LEU 101 CO 0.02 -0.05 -0.04 0.28 -1.32 0.00 0.00 176.35 175.24 3i7r s THR 102 N 1.55 1.12 0.38 3.68 -1.32 0.50 -1.51 115.64 120.03 3i7r s THR 102 Ca 0.06 -0.77 -0.24 0.00 -1.21 0.00 0.00 61.69 59.53 3i7r s THR 102 Cb -0.15 -1.37 -0.10 0.00 -1.51 0.00 0.00 72.50 69.37 3i7r s THR 102 CO 0.01 0.02 0.98 0.54 -2.21 0.00 0.00 174.62 173.96 3i7r s VAL 103 N 1.61 4.09 0.18 5.08 0.11 -1.26 -1.74 120.40 128.47 3i7r s VAL 103 Ca -0.01 1.56 -0.33 0.00 -2.93 0.00 0.00 61.98 60.26 3i7r s VAL 103 Cb -0.16 -3.78 -0.14 0.00 -1.53 0.00 0.00 36.38 30.76 3i7r s VAL 103 CO -0.07 -0.03 1.46 0.35 -3.33 0.00 0.00 175.10 173.48 3i7r n THR 104 N -0.00 0.39 -1.42 5.04 -2.24 -0.54 -4.49 114.28 111.01 3i7r n THR 104 Ca 0.04 -0.10 -0.54 0.00 -2.27 0.00 0.00 64.05 61.19 3i7r n THR 104 Cb 0.51 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.30 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 2.71 0.00 -4.05 -0.78 -0.02 -1.26 -4.94 135.00 126.67 3i7r n PRO 105 Ca 0.15 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.36 3i7r n PRO 105 Cb 0.28 -1.32 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.25 3.23 0.00 6.00 -0.85 -1.26 -4.59 117.35 119.62 3i7r s TYR 106 Ca 0.81 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 57.39 3i7r s TYR 106 Cb -1.14 -1.56 0.00 0.00 0.38 0.00 0.00 41.96 39.64 3i7r s TYR 106 CO 0.55 0.52 0.00 0.98 -1.52 0.00 0.00 175.55 176.08 3i7r n TYR 107 N -0.25 0.00 1.38 -3.49 9.36 -0.68 -4.59 117.16 118.89 3i7r n TYR 107 Ca -0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.28 3i7r n TYR 107 Cb 0.54 0.00 0.55 0.00 -0.63 0.00 0.00 39.34 39.80 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 2.70 0.66 -3.71 2.98 6.94 -1.26 -4.99 115.26 118.59 3i7r n ASN 108 Ca 0.00 -0.72 -0.28 0.00 -0.02 0.00 0.00 54.58 53.56 3i7r n ASN 108 Cb 0.00 -0.01 0.02 0.00 -2.36 0.00 0.00 39.78 37.43 3i7r n ASN 108 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3i7r n ARG 109 N -0.81 -1.13 -1.32 -3.83 1.74 -1.26 -4.95 116.66 105.10 3i7r n ARG 109 Ca 0.14 0.62 -0.31 0.00 -0.77 0.00 0.00 57.85 57.53 3i7r n ARG 109 Cb 0.30 -3.48 0.10 0.00 -1.02 0.00 0.00 32.46 28.35 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 -5.54 2.04 0.95 5.56 0.04 -1.26 -5.05 135.00 131.74 3i7r s PRO 110 Ca 0.27 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 3i7r s PRO 110 Cb -0.12 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.70 3i7r s PRO 110 CO 0.88 -1.74 1.11 -1.54 0.04 0.00 0.00 177.00 175.75 3i7r s SER 111 N -3.51 3.10 0.25 6.66 1.04 -1.26 -4.82 113.70 115.15 3i7r s SER 111 Ca 0.61 1.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.17 3i7r s SER 111 Cb -0.17 -1.80 0.41 0.00 0.10 0.00 0.00 66.02 64.57 3i7r s SER 111 CO 0.56 -2.83 1.83 1.56 0.98 0.00 0.00 173.24 175.34 3i7r h GLN 112 N -1.69 0.89 -0.95 4.02 1.08 -1.96 -0.85 115.11 115.65 3i7r h GLN 112 Ca -0.52 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.63 3i7r h GLN 112 Cb 1.32 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.50 3i7r h GLN 112 CO 0.59 0.59 0.61 1.49 -0.95 0.00 0.00 178.83 181.15 3i7r h GLU 113 N 0.91 1.27 -0.27 1.46 4.57 -1.99 -0.52 114.58 120.01 3i7r h GLU 113 Ca 0.42 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 58.40 3i7r h GLU 113 Cb 0.32 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3i7r h GLU 113 CO -0.23 0.87 -0.27 0.78 -1.18 0.00 0.00 179.01 178.98 3i7r h GLY 114 N 1.30 0.59 1.00 1.92 0.00 -1.67 -1.20 103.07 105.01 3i7r h GLY 114 Ca 0.35 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3i7r h GLY 114 CO -0.07 0.46 0.06 1.41 0.00 0.00 0.00 176.54 178.40 3i7r h LEU 115 N 0.47 0.84 0.03 3.11 3.38 -0.81 0.13 115.31 122.47 3i7r h LEU 115 Ca 0.06 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3i7r h LEU 115 Cb 0.72 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3i7r h LEU 115 CO 0.06 0.90 -0.16 0.22 0.09 0.00 0.00 178.44 179.55 3i7r h TYR 116 N 0.75 -0.41 -0.20 1.13 3.20 -0.80 -1.41 116.97 119.23 3i7r h TYR 116 Ca 0.15 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3i7r h TYR 116 Cb 0.44 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3i7r h TYR 116 CO 0.03 -0.23 -0.27 1.96 -1.64 0.00 0.00 178.16 178.01 3i7r h GLN 117 N -0.28 0.38 0.80 1.82 1.08 -1.14 -0.26 115.11 117.52 3i7r h GLN 117 Ca 0.04 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 3i7r h GLN 117 Cb 0.33 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3i7r h GLN 117 CO -0.13 0.63 -0.42 1.25 -0.95 0.00 0.00 178.83 179.21 3i7r h HIS 118 N 0.34 -1.10 -0.12 2.96 2.76 -0.61 -2.14 115.15 117.24 3i7r h HIS 118 Ca 0.05 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.04 3i7r h HIS 118 Cb 0.66 0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 3i7r h HIS 118 CO 0.02 -0.66 -0.60 0.74 -1.30 0.00 0.00 177.93 176.12 3i7r h PHE 119 N -1.13 0.51 -0.25 5.26 0.05 -1.21 -2.51 116.94 117.66 3i7r h PHE 119 Ca -0.11 -0.19 0.04 0.00 3.82 0.00 0.00 57.97 61.53 3i7r h PHE 119 Cb 0.88 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.70 3i7r h PHE 119 CO -0.05 0.90 0.03 -0.22 -0.18 0.00 0.00 178.31 178.80 3i7r h LYS 120 N 0.30 0.12 -0.71 1.51 3.64 -1.08 -1.27 116.57 119.07 3i7r h LYS 120 Ca -0.01 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3i7r h LYS 120 Cb 1.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3i7r h LYS 120 CO 0.10 0.08 0.19 0.00 -2.27 0.00 0.00 179.45 177.55 3i7r h ALA 121 N 1.19 0.99 -0.06 5.00 0.00 -1.25 -0.64 119.26 124.49 3i7r h ALA 121 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i7r h ALA 121 Cb 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i7r h ALA 121 CO -0.17 0.66 0.03 0.82 0.00 0.00 0.00 179.25 180.60 3i7r h ILE 122 N 1.07 1.06 -0.25 0.00 2.04 -1.31 -2.67 117.51 117.46 3i7r h ILE 122 Ca 0.23 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3i7r h ILE 122 Cb 0.34 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3i7r h ILE 122 CO -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 178.15 178.18 3i7r h ALA 123 N 0.96 1.50 -0.23 1.87 0.00 -1.02 -2.49 119.26 119.85 3i7r h ALA 123 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i7r h ALA 123 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i7r h ALA 123 CO -0.00 0.36 0.10 1.49 0.00 0.00 0.00 179.25 181.19 3i7r h GLU 124 N 0.36 0.32 -0.50 0.00 4.57 -0.77 -3.19 114.58 115.38 3i7r h GLU 124 Ca 0.08 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3i7r h GLU 124 Cb 0.28 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 3i7r h GLU 124 CO 0.01 0.27 0.07 0.72 -1.18 0.00 0.00 179.01 178.90 3i7r n HIS 125 N -4.44 1.73 -3.75 0.92 8.25 -0.94 -4.92 115.22 112.07 3i7r n HIS 125 Ca 0.00 -0.97 -0.10 0.00 -0.26 0.00 0.00 57.72 56.39 3i7r n HIS 125 Cb 0.12 -0.49 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.89 0.10 -1.21 1.59 -1.32 -1.20 -4.87 115.64 105.84 3i7r s THR 126 Ca 0.50 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 60.35 3i7r s THR 126 Cb 0.40 -1.21 -0.09 0.00 -1.51 0.00 0.00 72.50 70.09 3i7r s THR 126 CO 0.12 -0.47 1.12 0.47 -2.21 0.00 0.00 174.62 173.65 3i7r n ASP 127 N -0.02 1.01 -4.76 8.08 8.00 -1.26 -4.93 116.55 122.67 3i7r n ASP 127 Ca -0.16 -0.85 -0.41 0.00 0.71 0.00 0.00 54.79 54.08 3i7r n ASP 127 Cb 0.62 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 42.34 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 -2.89 4.45 0.34 0.64 1.43 -1.26 -4.99 118.68 116.40 3i7r s LEU 128 Ca 0.12 2.50 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 3i7r s LEU 128 Cb 0.17 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.64 3i7r s LEU 128 CO 0.75 -0.44 1.43 -2.65 0.23 0.00 0.00 176.35 175.67 3i7r n PRO 129 N 1.49 2.42 -4.60 1.29 -0.02 -1.26 -4.85 135.00 129.46 3i7r n PRO 129 Ca 0.02 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 62.02 3i7r n PRO 129 Cb 0.43 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 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 -1.57 3.30 -0.25 -0.52 -1.52 0.37 -0.56 119.66 118.91 3i7r s GLN 130 Ca 0.57 -0.72 -0.08 0.00 -1.95 0.00 0.00 55.36 53.19 3i7r s GLN 130 Cb -0.53 -2.65 -0.03 0.00 -0.22 0.00 0.00 33.01 29.58 3i7r s GLN 130 CO 0.59 0.09 0.08 0.42 -0.25 0.00 0.00 175.29 176.22 3i7r s ILE 131 N 0.66 4.43 0.58 1.08 1.01 0.89 -1.50 121.20 128.35 3i7r s ILE 131 Ca -0.07 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3i7r s ILE 131 Cb -0.16 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 3i7r s ILE 131 CO 0.02 0.34 1.12 -0.76 0.00 0.00 0.00 174.94 175.66 3i7r s LEU 132 N 1.55 3.63 -0.13 2.97 1.43 -0.30 -0.37 118.68 127.47 3i7r s LEU 132 Ca 0.06 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 55.24 3i7r s LEU 132 Cb -0.15 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.55 3i7r s LEU 132 CO 0.04 -1.34 0.06 -0.47 0.23 0.00 0.00 176.35 174.87 3i7r s TYR 133 N -1.96 0.39 -0.22 0.29 5.04 -0.71 0.52 117.35 120.70 3i7r s TYR 133 Ca 0.71 -0.26 -0.05 0.00 -2.44 0.00 0.00 57.07 55.03 3i7r s TYR 133 Cb -0.23 -0.72 -0.02 0.00 0.35 0.00 0.00 41.96 41.35 3i7r s TYR 133 CO 0.31 -0.42 -0.00 1.21 -1.34 0.00 0.00 175.55 175.31 3i7r s ASN 134 N 2.07 4.65 -0.46 4.32 2.47 -0.65 -1.47 114.94 125.87 3i7r s ASN 134 Ca 0.03 -0.29 0.06 0.00 0.42 0.00 0.00 52.86 53.08 3i7r s ASN 134 Cb -0.15 -1.81 0.21 0.00 -1.45 0.00 0.00 41.25 38.06 3i7r s ASN 134 CO -0.07 0.00 0.64 0.55 -3.72 0.00 0.00 177.10 174.50 3i7r n VAL 135 N 4.65 -0.44 0.29 -5.21 3.14 -1.26 -0.87 118.33 118.63 3i7r n VAL 135 Ca -0.17 -2.34 0.16 0.00 -2.96 0.00 0.00 64.34 59.03 3i7r n VAL 135 Cb 0.51 -0.12 0.93 0.00 -1.06 0.00 0.00 33.84 34.11 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 4.68 0.00 0.00 1.45 0.11 -1.85 -1.11 132.00 135.27 3i7r h PRO 136 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3i7r h PRO 136 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3i7r h PRO 136 CO 0.27 0.00 -0.12 0.66 -0.21 0.00 0.00 178.00 178.60 3i7r h SER 137 N 0.00 0.00 0.08 -2.05 4.64 -1.91 -0.85 113.55 113.47 3i7r h SER 137 Ca 0.01 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.96 3i7r h SER 137 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 3i7r h SER 137 CO -0.00 0.12 -2.27 0.54 -0.87 0.00 0.00 176.83 174.35 3i7r n ARG 138 N -3.26 0.68 -0.05 4.77 1.74 -0.48 -4.71 116.66 115.34 3i7r n ARG 138 Ca 0.00 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.19 3i7r n ARG 138 Cb 0.38 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.13 1.05 -1.06 0.55 -2.24 -0.87 -4.78 114.28 103.81 3i7r n THR 139 Ca -0.36 -0.75 -0.02 0.00 -2.27 0.00 0.00 64.05 60.65 3i7r n THR 139 Cb 1.06 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.57 0.54 3.11 3.38 0.00 -0.33 -1.68 105.19 111.77 3i7r n GLY 140 Ca -0.22 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.90 3.15 -0.63 0.00 -1.08 -1.26 -3.94 116.67 110.02 3i7r s ASP 142 Ca 0.07 -0.82 -0.27 0.00 -0.52 0.00 0.00 52.55 51.00 3i7r s ASP 142 Cb 0.07 -1.01 0.01 0.00 -1.46 0.00 0.00 42.92 40.54 3i7r s ASP 142 CO -0.10 -0.19 1.48 -0.22 0.52 0.00 0.00 175.17 176.65 3i7r s LEU 143 N 1.55 3.30 0.58 -1.34 2.96 -1.26 -4.96 118.68 119.52 3i7r s LEU 143 Ca -0.01 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 3i7r s LEU 143 Cb -0.16 -2.78 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 3i7r s LEU 143 CO -0.08 -1.90 1.03 -0.76 -1.32 0.00 0.00 176.35 173.32 3i7r s LEU 144 N 6.65 3.49 0.30 -0.68 1.43 -1.26 -4.80 118.68 123.81 3i7r s LEU 144 Ca 0.50 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 3i7r s LEU 144 Cb -0.10 -4.52 0.76 0.00 0.03 0.00 0.00 46.19 42.36 3i7r s LEU 144 CO 0.21 -0.99 1.73 -0.65 0.23 0.00 0.00 176.35 176.88 3i7r h PRO 145 N 0.44 0.52 -0.79 1.29 0.11 -1.95 -0.64 132.00 130.99 3i7r h PRO 145 Ca -0.46 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3i7r h PRO 145 Cb 1.21 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3i7r h PRO 145 CO 0.59 0.35 0.44 1.49 -0.21 0.00 0.00 178.00 180.66 3i7r h GLU 146 N 0.54 0.72 0.08 1.05 4.81 -1.92 0.14 114.58 120.01 3i7r h GLU 146 Ca 0.58 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.50 3i7r h GLU 146 Cb 1.05 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.28 3i7r h GLU 146 CO -0.47 0.48 -1.13 1.15 -0.73 0.00 0.00 179.01 178.30 3i7r h THR 147 N 0.75 1.38 -0.77 0.32 2.02 -1.52 -2.17 112.91 112.92 3i7r h THR 147 Ca 0.38 -2.62 0.10 0.00 0.77 0.00 0.00 66.41 65.05 3i7r h THR 147 Cb 0.35 2.66 -0.08 0.00 -1.74 0.00 0.00 68.15 69.34 3i7r h THR 147 CO -0.25 0.78 0.41 0.58 0.37 0.00 0.00 175.52 177.41 3i7r h VAL 148 N 0.21 0.84 -0.86 3.16 2.07 -0.83 -1.03 116.25 119.81 3i7r h VAL 148 Ca -0.13 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3i7r h VAL 148 Cb 1.81 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3i7r h VAL 148 CO 0.20 0.12 0.55 1.23 0.02 0.00 0.00 177.57 179.69 3i7r h GLY 149 N 0.67 1.26 0.92 2.17 0.00 -0.40 -0.28 103.07 107.41 3i7r h GLY 149 Ca 0.39 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3i7r h GLY 149 CO -0.28 0.33 0.11 3.21 0.00 0.00 0.00 176.54 179.92 3i7r h ARG 150 N 1.05 0.57 -0.02 4.80 3.08 -0.70 -3.22 114.38 119.94 3i7r h ARG 150 Ca 0.35 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3i7r h ARG 150 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3i7r h ARG 150 CO -0.13 0.59 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.77 3i7r h LEU 151 N 0.44 0.06 -2.95 3.04 3.38 -0.87 -2.61 115.31 115.80 3i7r h LEU 151 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i7r h LEU 151 Cb 0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i7r h LEU 151 CO -0.00 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3i7r h ALA 152 N 1.43 1.05 0.00 1.53 0.00 -1.06 -1.46 119.26 120.74 3i7r h ALA 152 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i7r h ALA 152 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 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 -6.47 0.00 1.79 -1.54 -3.44 116.57 106.91 3i7r h LYS 153 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 3i7r h LYS 153 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3i7r h LYS 153 CO -0.00 0.00 0.57 0.08 -1.08 0.00 0.00 179.45 179.02 3i7r s VAL 154 N -3.57 4.04 0.16 0.50 1.01 -0.55 -4.94 120.40 117.04 3i7r s VAL 154 Ca 0.02 1.46 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 3i7r s VAL 154 Cb 0.08 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.60 3i7r s VAL 154 CO 0.56 0.11 1.64 0.50 0.00 0.00 0.00 175.10 177.90 3i7r h LYS 155 N 6.85 -0.15 -0.63 2.72 3.64 -1.87 -2.33 116.57 124.81 3i7r h LYS 155 Ca -0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3i7r h LYS 155 Cb 1.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3i7r h LYS 155 CO 0.82 -0.10 0.00 0.27 -2.27 0.00 0.00 179.45 178.17 3i7r n ASN 156 N -5.37 3.93 -4.49 4.20 6.94 -1.26 -4.68 115.26 114.53 3i7r n ASN 156 Ca 0.01 -2.36 -0.43 0.00 -0.02 0.00 0.00 54.58 51.78 3i7r n ASN 156 Cb 0.28 -0.52 -0.07 0.00 -2.36 0.00 0.00 39.78 37.11 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 -1.80 4.91 -0.65 1.53 1.01 -0.88 -0.48 121.20 124.85 3i7r s ILE 157 Ca 0.41 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.98 3i7r s ILE 157 Cb 0.27 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3i7r s ILE 157 CO 0.20 -0.60 0.50 2.30 0.00 0.00 0.00 174.94 177.34 3i7r n ILE 158 N 5.68 0.00 -4.00 2.92 -5.35 -0.56 -4.70 119.36 113.35 3i7r n ILE 158 Ca -0.04 -0.36 0.02 0.00 -0.27 0.00 0.00 62.75 62.10 3i7r n ILE 158 Cb 0.47 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.44 3i7r n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i7r n GLY 159 N 0.99 0.26 3.20 3.28 0.00 -1.23 -0.95 105.19 110.73 3i7r n GLY 159 Ca 0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.02 -0.03 -0.47 -0.61 2.07 -0.71 -1.14 121.20 118.29 3i7r s ILE 160 Ca 0.18 0.10 -0.20 0.00 -1.41 0.00 0.00 60.65 59.32 3i7r s ILE 160 Cb -0.00 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.11 3i7r s ILE 160 CO -0.01 0.04 0.61 -0.60 -1.91 0.00 0.00 174.94 173.07 3i7r s ARG 161 N 1.21 3.18 -0.46 3.50 3.52 0.19 -1.24 118.95 128.84 3i7r s ARG 161 Ca -0.08 -0.66 -0.15 0.00 -0.13 0.00 0.00 55.73 54.71 3i7r s ARG 161 Cb -0.08 -4.02 0.06 0.00 -1.56 0.00 0.00 34.95 29.34 3i7r s ARG 161 CO -0.10 -1.10 0.37 -2.00 -0.81 0.00 0.00 175.30 171.67 3i7r s GLU 162 N 2.67 2.98 -0.24 5.12 -6.30 0.36 -1.64 118.70 121.64 3i7r s GLU 162 Ca 0.18 -1.27 0.13 0.00 -2.50 0.00 0.00 54.97 51.51 3i7r s GLU 162 Cb -0.17 -4.09 0.54 0.00 0.00 0.00 0.00 34.13 30.41 3i7r s GLU 162 CO 0.15 -0.96 1.49 0.00 0.02 0.00 0.00 175.26 175.96 3i7r n ALA 163 N 5.19 3.69 0.19 6.30 0.00 -0.05 -1.15 120.51 134.69 3i7r n ALA 163 Ca -0.12 -2.64 0.06 0.00 0.00 0.00 0.00 53.44 50.74 3i7r n ALA 163 Cb 0.44 -0.79 0.35 0.00 0.00 0.00 0.00 19.45 19.45 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 1.53 0.87 0.00 0.00 1.35 -1.91 -3.44 112.91 111.30 3i7r h THR 164 Ca 0.13 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3i7r h THR 164 Cb 1.65 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 3i7r h THR 164 CO 0.36 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3i7r n GLY 165 N 0.20 0.40 3.41 5.82 0.00 -1.26 -4.98 105.19 108.77 3i7r n GLY 165 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.19 6.19 0.24 1.61 3.84 -1.26 -4.95 114.94 118.42 3i7r s ASN 166 Ca 0.00 -1.14 0.25 0.00 0.21 0.00 0.00 52.86 52.18 3i7r s ASN 166 Cb 0.00 -2.25 0.90 0.00 -0.55 0.00 0.00 41.25 39.35 3i7r s ASN 166 CO 0.00 -0.82 1.75 0.18 -2.79 0.00 0.00 177.10 175.42 3i7r n LEU 167 N 5.80 0.75 0.19 3.21 4.77 -1.26 -2.01 117.00 128.45 3i7r n LEU 167 Ca -0.09 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3i7r n LEU 167 Cb 0.44 -0.44 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 3i7r n LEU 167 CO 0.52 -0.37 0.89 0.71 -1.33 0.00 0.00 177.39 177.81 3i7r h THR 168 N 0.00 0.00 -0.04 -5.08 1.35 -2.02 -2.90 112.91 104.22 3i7r h THR 168 Ca 0.00 -0.07 -0.13 0.00 -0.55 0.00 0.00 66.41 65.66 3i7r h THR 168 Cb 0.56 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3i7r h THR 168 CO 0.00 0.00 -0.56 0.03 -0.25 0.00 0.00 175.52 174.74 3i7r h ARG 169 N 0.00 0.12 -0.12 4.72 2.47 -1.84 -2.97 114.38 116.76 3i7r h ARG 169 Ca 0.00 -0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.69 3i7r h ARG 169 Cb 0.10 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 3i7r h ARG 169 CO 0.00 0.65 -0.20 0.28 0.56 0.00 0.00 179.97 181.26 3i7r h VAL 170 N 0.09 0.51 0.00 2.04 2.07 -1.74 0.99 116.25 120.21 3i7r h VAL 170 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3i7r h VAL 170 Cb 1.02 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3i7r h VAL 170 CO 0.08 0.00 -0.77 0.78 0.02 0.00 0.00 177.57 177.68 3i7r h ASN 171 N -0.25 0.00 -0.57 0.57 2.35 -1.78 -0.71 115.58 115.19 3i7r h ASN 171 Ca 0.10 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3i7r h ASN 171 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3i7r h ASN 171 CO -0.27 0.16 0.03 1.56 -1.65 0.00 0.00 177.43 177.26 3i7r h GLN 172 N 0.00 0.99 0.03 0.81 4.20 -1.33 -2.56 115.11 117.26 3i7r h GLN 172 Ca -0.03 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 3i7r h GLN 172 Cb 1.15 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3i7r h GLN 172 CO 0.02 0.97 -0.01 0.82 -0.67 0.00 0.00 178.83 179.95 3i7r h ILE 173 N 0.88 1.38 -0.91 2.54 2.04 -0.82 -3.34 117.51 119.28 3i7r h ILE 173 Ca 0.17 -1.40 0.16 0.00 1.00 0.00 0.00 64.86 64.79 3i7r h ILE 173 Cb 0.51 2.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 3i7r h ILE 173 CO 0.02 0.35 0.58 0.50 0.00 0.00 0.00 178.15 179.61 3i7r h LYS 174 N -0.66 0.63 0.00 2.37 3.64 -1.11 0.26 116.57 121.70 3i7r h LYS 174 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3i7r h LYS 174 Cb 0.60 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3i7r h LYS 174 CO 0.01 0.41 0.00 -0.85 -2.27 0.00 0.00 179.45 176.75 3i7r n GLU 175 N -4.57 0.02 0.00 1.90 0.28 -0.97 -3.06 120.64 114.25 3i7r n GLU 175 Ca 0.18 0.07 0.09 0.00 -0.16 0.00 0.00 57.16 57.35 3i7r n GLU 175 Cb 0.53 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.49 1.31 -4.47 -1.84 4.77 0.07 -5.00 117.00 110.34 3i7r n LEU 176 Ca 0.06 -0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 55.20 3i7r n LEU 176 Cb 0.29 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 3i7r n LEU 176 CO 0.23 0.28 -0.37 0.68 -1.33 0.00 0.00 177.39 176.88 3i7r s VAL 177 N -2.56 1.84 0.80 4.08 -7.23 -1.13 -4.76 120.40 111.44 3i7r s VAL 177 Ca 0.11 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.02 3i7r s VAL 177 Cb 0.15 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.61 3i7r s VAL 177 CO 0.66 -0.24 1.10 -0.94 -0.31 0.00 0.00 175.10 175.37 3i7r s SER 178 N -3.51 4.44 0.51 4.85 1.04 -1.26 -4.94 113.70 114.84 3i7r s SER 178 Ca 0.31 1.33 0.33 0.00 0.48 0.00 0.00 55.95 58.40 3i7r s SER 178 Cb 0.04 -2.06 1.43 0.00 0.10 0.00 0.00 66.02 65.53 3i7r s SER 178 CO 0.14 -2.00 1.98 0.44 0.98 0.00 0.00 173.24 174.78 3i7r h ASP 179 N -1.11 0.00 0.44 7.02 3.32 -2.01 -2.30 116.42 121.78 3i7r h ASP 179 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3i7r h ASP 179 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3i7r h ASP 179 CO 0.59 0.00 -0.14 -0.90 -1.72 0.00 0.00 179.24 177.07 3i7r n ASP 180 N -2.93 0.44 -4.70 6.45 5.68 -1.26 -4.85 116.55 115.38 3i7r n ASP 180 Ca 0.00 -0.44 -0.42 0.00 -0.50 0.00 0.00 54.79 53.43 3i7r n ASP 180 Cb 0.26 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 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 -2.58 3.02 -0.07 2.11 5.36 -0.87 -4.94 117.98 120.02 3i7r s PHE 181 Ca 0.26 0.93 -0.18 0.00 -0.96 0.00 0.00 56.93 56.97 3i7r s PHE 181 Cb 0.20 -3.62 -0.05 0.00 -0.34 0.00 0.00 43.02 39.21 3i7r s PHE 181 CO 0.50 -2.22 0.50 0.54 -1.46 0.00 0.00 175.22 173.08 3i7r s VAL 182 N 1.98 5.09 -0.24 3.12 0.11 -0.13 -4.96 120.40 125.37 3i7r s VAL 182 Ca 0.63 1.01 -0.04 0.00 -2.93 0.00 0.00 61.98 60.65 3i7r s VAL 182 Cb -0.32 -3.83 -0.00 0.00 -1.53 0.00 0.00 36.38 30.70 3i7r s VAL 182 CO 0.27 0.39 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.67 3i7r s LEU 183 N 0.12 3.21 -0.07 2.54 1.43 -1.26 -1.73 118.68 122.91 3i7r s LEU 183 Ca 0.27 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3i7r s LEU 183 Cb -0.16 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.29 3i7r s LEU 183 CO 0.13 -0.08 -0.17 -0.76 0.23 0.00 0.00 176.35 175.70 3i7r s LEU 184 N 1.47 1.82 0.43 1.79 1.43 -0.38 -0.16 118.68 125.08 3i7r s LEU 184 Ca 0.04 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3i7r s LEU 184 Cb -0.15 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 3i7r s LEU 184 CO -0.02 0.09 1.13 -0.55 0.23 0.00 0.00 176.35 177.23 3i7r s SER 185 N 0.48 6.44 -0.16 2.29 0.15 -0.35 -0.49 113.70 122.05 3i7r s SER 185 Ca -0.15 2.23 0.16 0.00 0.70 0.00 0.00 55.95 58.89 3i7r s SER 185 Cb -0.16 -2.60 0.34 0.00 -1.71 0.00 0.00 66.02 61.90 3i7r s SER 185 CO 0.05 -0.73 1.18 0.61 1.20 0.00 0.00 173.24 175.56 3i7r n GLY 186 N 0.45 4.97 2.60 9.45 0.00 -0.30 -1.13 105.19 121.24 3i7r n GLY 186 Ca 0.06 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.00 3.59 0.21 1.61 2.15 -1.26 -4.59 116.67 115.38 3i7r s ASP 187 Ca 0.35 -1.73 -0.13 0.00 0.43 0.00 0.00 52.55 51.47 3i7r s ASP 187 Cb 0.32 -0.59 0.25 0.00 -0.30 0.00 0.00 42.92 42.59 3i7r s ASP 187 CO -0.01 -0.39 1.63 0.44 -0.17 0.00 0.00 175.17 176.68 3i7r h ASP 188 N 7.84 -0.53 -0.09 -0.34 3.32 -1.90 -1.43 116.42 123.30 3i7r h ASP 188 Ca -0.11 0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3i7r h ASP 188 Cb 0.99 0.37 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 3i7r h ASP 188 CO 0.42 -0.19 0.09 0.00 -1.72 0.00 0.00 179.24 177.84 3i7r h ALA 189 N 1.62 1.68 -0.10 3.45 0.00 -1.94 -2.54 119.26 121.42 3i7r h ALA 189 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i7r h ALA 189 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i7r h ALA 189 CO -0.63 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.36 3i7r n SER 190 N -3.86 2.49 -0.19 0.00 3.41 -0.62 -4.77 113.62 110.09 3i7r n SER 190 Ca -0.01 -2.38 -0.08 0.00 -0.26 0.00 0.00 58.87 56.14 3i7r n SER 190 Cb 0.20 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.62 0.87 -0.35 7.33 0.00 -0.90 -0.29 119.26 126.55 3i7r h ALA 191 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3i7r h ALA 191 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i7r h ALA 191 CO 0.03 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.07 3i7r h LEU 192 N 0.92 0.70 -0.80 0.00 5.85 -1.86 -0.04 115.31 120.08 3i7r h LEU 192 Ca 0.16 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3i7r h LEU 192 Cb 0.58 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3i7r h LEU 192 CO 0.03 0.93 0.47 0.44 -0.34 0.00 0.00 178.44 179.97 3i7r h ASP 193 N 0.48 0.71 -0.33 1.25 3.32 -1.87 0.73 116.42 120.70 3i7r h ASP 193 Ca 0.08 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3i7r h ASP 193 Cb 0.64 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 3i7r h ASP 193 CO 0.04 0.44 0.05 0.15 -1.72 0.00 0.00 179.24 178.20 3i7r h PHE 194 N 0.84 0.08 -0.44 4.55 3.57 -0.50 -1.18 116.94 123.85 3i7r h PHE 194 Ca 0.36 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.76 3i7r h PHE 194 Cb 0.25 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3i7r h PHE 194 CO -0.05 -0.00 -0.24 0.52 -2.23 0.00 0.00 178.31 176.31 3i7r h MET 195 N 0.16 0.91 -0.28 1.11 2.86 -0.61 -1.41 114.93 117.67 3i7r h MET 195 Ca 0.16 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3i7r h MET 195 Cb 0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3i7r h MET 195 CO -0.22 1.04 0.19 0.37 1.06 0.00 0.00 176.91 179.35 3i7r h GLN 196 N 0.78 0.29 0.00 1.72 4.15 -0.38 -1.98 115.11 119.68 3i7r h GLN 196 Ca 0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3i7r h GLN 196 Cb 0.80 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3i7r h GLN 196 CO 0.07 0.19 0.00 1.28 -1.93 0.00 0.00 178.83 178.44 3i7r n LEU 197 N -4.49 0.34 0.00 -2.39 4.77 -0.49 -4.87 117.00 109.87 3i7r n LEU 197 Ca 0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3i7r n LEU 197 Cb 0.13 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3i7r n LEU 197 CO 0.35 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3i7r n GLY 198 N 1.25 0.38 3.74 -0.72 0.00 -0.75 -4.76 105.19 104.32 3i7r n GLY 198 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3i7r n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i7r s GLY 199 N -0.01 2.70 0.00 -0.02 0.00 -0.55 -4.88 107.32 104.55 3i7r s GLY 199 Ca 0.00 1.07 0.20 0.00 0.00 0.00 0.00 44.72 45.99 3i7r s GLY 199 CO 0.00 1.49 1.10 1.42 0.00 0.00 0.00 173.10 177.11 3i7r n HIS 200 N -2.02 0.00 -3.89 1.90 8.25 0.78 -4.45 115.22 115.78 3i7r n HIS 200 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 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 1.16 -0.99 3.15 -1.41 0.00 -1.22 -1.70 105.19 104.19 3i7r n GLY 201 Ca 0.11 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.02 -0.45 1.61 0.11 -0.40 -1.21 120.40 117.04 3i7r s VAL 202 Ca 0.00 0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 3i7r s VAL 202 Cb 0.00 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 3i7r s VAL 202 CO 0.00 0.03 0.60 -0.63 -3.33 0.00 0.00 175.10 171.77 3i7r s ILE 203 N 0.73 4.88 -0.05 7.04 1.01 -0.28 -0.94 121.20 133.59 3i7r s ILE 203 Ca -0.05 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3i7r s ILE 203 Cb -0.06 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3i7r s ILE 203 CO -0.05 -0.61 -0.14 -0.55 0.00 0.00 0.00 174.94 173.60 3i7r s SER 204 N 2.08 4.06 -0.09 3.58 0.15 0.31 -4.56 113.70 119.24 3i7r s SER 204 Ca 0.19 -0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 3i7r s SER 204 Cb -0.15 -0.89 -0.28 0.00 -1.71 0.00 0.00 66.02 62.98 3i7r s SER 204 CO 0.17 0.34 0.60 0.58 1.20 0.00 0.00 173.24 176.13 3i7r h VAL 205 N 4.37 1.04 -0.78 4.45 2.07 -1.86 0.19 116.25 125.73 3i7r h VAL 205 Ca -0.46 -2.43 0.11 0.00 0.82 0.00 0.00 66.70 64.74 3i7r h VAL 205 Cb 1.16 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 33.63 3i7r h VAL 205 CO 0.51 0.74 0.51 0.74 0.02 0.00 0.00 177.57 180.09 3i7r h THR 206 N -0.21 0.90 0.00 2.57 2.02 -1.94 -1.69 112.91 114.55 3i7r h THR 206 Ca -0.30 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3i7r h THR 206 Cb 1.83 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3i7r h THR 206 CO 0.09 0.11 0.09 0.00 0.37 0.00 0.00 175.52 176.19 3i7r h ALA 207 N 1.62 1.08 -0.42 6.16 0.00 -1.83 -0.33 119.26 125.54 3i7r h ALA 207 Ca 0.37 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.30 3i7r h ALA 207 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3i7r h ALA 207 CO -0.14 -0.08 0.28 -0.91 0.00 0.00 0.00 179.25 178.40 3i7r h ASN 208 N 0.00 0.43 0.00 0.00 2.35 -1.52 -3.09 115.58 113.75 3i7r h ASN 208 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3i7r h ASN 208 Cb 0.19 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3i7r h ASN 208 CO 0.00 0.31 -0.10 1.33 -1.65 0.00 0.00 177.43 177.32 3i7r n VAL 209 N -4.48 0.00 -2.87 2.81 0.24 -0.23 -4.76 118.33 109.03 3i7r n VAL 209 Ca 0.04 -0.44 -0.18 0.00 -2.04 0.00 0.00 64.34 61.71 3i7r n VAL 209 Cb 0.10 0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.04 3.36 -0.21 2.33 0.00 -0.60 -4.96 120.51 119.39 3i7r n ALA 210 Ca 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 53.44 49.71 3i7r n ALA 210 Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 2.93 0.75 0.07 0.00 0.00 -1.78 -1.77 119.26 119.47 3i7r h ALA 211 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i7r h ALA 211 Cb 0.95 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i7r h ALA 211 CO 0.60 0.30 -0.04 -0.09 0.00 0.00 0.00 179.25 180.02 3i7r h ARG 212 N 0.79 -0.10 -0.97 0.00 2.43 -1.90 -0.88 114.38 113.75 3i7r h ARG 212 Ca 0.20 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 3i7r h ARG 212 Cb 0.09 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.59 3i7r h ARG 212 CO -0.03 0.24 0.62 -0.44 -1.51 0.00 0.00 179.97 178.85 3i7r h ASP 213 N -0.44 0.98 -0.38 -3.80 3.32 -1.89 -0.46 116.42 113.76 3i7r h ASP 213 Ca -0.01 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3i7r h ASP 213 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3i7r h ASP 213 CO 0.02 0.61 -0.02 0.24 -1.72 0.00 0.00 179.24 178.38 3i7r h MET 214 N 1.11 0.68 -0.08 3.56 2.86 -1.23 -0.61 114.93 121.22 3i7r h MET 214 Ca 0.43 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3i7r h MET 214 Cb 0.21 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3i7r h MET 214 CO -0.19 0.79 0.04 0.00 1.06 0.00 0.00 176.91 178.61 3i7r h ALA 215 N 0.87 0.10 -0.59 6.32 0.00 -0.59 -0.75 119.26 124.62 3i7r h ALA 215 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i7r h ALA 215 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3i7r h ALA 215 CO 0.02 -0.43 0.26 0.37 0.00 0.00 0.00 179.25 179.48 3i7r h GLN 216 N 0.09 0.86 -0.36 0.00 5.75 -1.11 -2.05 115.11 118.29 3i7r h GLN 216 Ca 0.03 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3i7r h GLN 216 Cb 0.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3i7r h GLN 216 CO -0.03 0.72 0.22 1.98 -2.65 0.00 0.00 178.83 179.07 3i7r h MET 217 N 0.81 0.48 -0.57 1.69 4.05 -0.85 -0.63 114.93 119.91 3i7r h MET 217 Ca 0.20 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3i7r h MET 217 Cb 0.16 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3i7r h MET 217 CO -0.02 0.35 0.31 0.00 0.23 0.00 0.00 176.91 177.78 3i7r h LYS 219 N 0.79 0.43 -0.71 0.00 3.64 -0.87 -1.32 116.57 118.52 3i7r h LYS 219 Ca 0.20 -0.27 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3i7r h LYS 219 Cb 0.03 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 3i7r h LYS 219 CO -0.03 0.87 0.38 -0.07 -2.27 0.00 0.00 179.45 178.33 3i7r h LEU 220 N 0.03 0.53 -0.35 5.20 3.38 -0.97 -0.85 115.31 122.28 3i7r h LEU 220 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i7r h LEU 220 Cb 0.86 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3i7r h LEU 220 CO 0.06 0.32 0.14 0.00 0.09 0.00 0.00 178.44 179.05 3i7r h ALA 221 N 1.40 0.45 -0.26 1.53 0.00 -1.10 0.36 119.26 121.64 3i7r h ALA 221 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i7r h ALA 221 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i7r h ALA 221 CO -0.23 0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.23 3i7r h ALA 222 N 0.99 1.79 -0.00 0.00 0.00 -0.92 -0.77 119.26 120.34 3i7r h ALA 222 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i7r h ALA 222 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i7r h ALA 222 CO -0.01 0.19 -0.11 0.39 0.00 0.00 0.00 179.25 179.71 3i7r n GLU 223 N -4.48 0.50 -0.62 0.00 1.02 -0.35 -4.91 120.64 111.80 3i7r n GLU 223 Ca 0.01 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3i7r n GLU 223 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.33 0.67 2.88 0.62 0.00 -0.30 -4.99 105.19 105.41 3i7r n GLY 224 Ca 0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.62 2.71 0.02 1.61 8.25 0.12 -4.81 115.22 120.49 3i7r n HIS 225 Ca 0.00 -2.72 -0.06 0.00 -0.26 0.00 0.00 57.72 54.68 3i7r n HIS 225 Cb 0.00 -1.74 0.14 0.00 1.12 0.00 0.00 29.99 29.51 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 5.58 0.56 -0.24 4.41 -1.00 -1.88 -1.28 116.94 123.09 3i7r h PHE 226 Ca 0.36 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.95 3i7r h PHE 226 Cb 0.60 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3i7r h PHE 226 CO 1.21 0.81 0.05 0.00 -1.61 0.00 0.00 178.31 178.76 3i7r h ALA 227 N 1.17 0.32 -0.26 2.45 0.00 -1.96 0.19 119.26 121.16 3i7r h ALA 227 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3i7r h ALA 227 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3i7r h ALA 227 CO 0.07 -0.02 0.11 0.93 0.00 0.00 0.00 179.25 180.35 3i7r h GLU 228 N 0.20 0.24 -0.59 0.00 3.07 -1.94 -2.53 114.58 113.03 3i7r h GLU 228 Ca 0.07 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 3i7r h GLU 228 Cb 0.30 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3i7r h GLU 228 CO 0.00 0.16 0.31 0.00 -1.40 0.00 0.00 179.01 178.08 3i7r h ALA 229 N 1.14 1.44 -0.29 3.43 0.00 -1.07 -2.80 119.26 121.11 3i7r h ALA 229 Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3i7r h ALA 229 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3i7r h ALA 229 CO -0.09 0.46 -0.09 -0.09 0.00 0.00 0.00 179.25 179.44 3i7r h ARG 230 N 0.82 0.48 -0.56 0.00 2.43 -0.22 -1.08 114.38 116.25 3i7r h ARG 230 Ca 0.21 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3i7r h ARG 230 Cb 0.04 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3i7r h ARG 230 CO -0.03 0.58 0.34 0.28 -1.51 0.00 0.00 179.97 179.63 3i7r h VAL 231 N 0.45 1.06 -0.24 0.20 2.07 -1.19 0.15 116.25 118.75 3i7r h VAL 231 Ca 0.09 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3i7r h VAL 231 Cb 0.44 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3i7r h VAL 231 CO 0.02 0.12 0.11 0.40 0.02 0.00 0.00 177.57 178.25 3i7r h ILE 232 N 0.67 1.15 -0.79 4.57 2.04 -1.50 -2.92 117.51 120.73 3i7r h ILE 232 Ca 0.23 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3i7r h ILE 232 Cb 0.02 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3i7r h ILE 232 CO -0.10 0.15 0.52 -1.13 0.00 0.00 0.00 178.15 177.59 3i7r h ASN 233 N 0.26 0.88 -0.93 1.72 -0.00 -0.61 -1.15 115.58 115.75 3i7r h ASN 233 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 3i7r h ASN 233 Cb 0.14 -0.22 -0.05 0.00 -0.00 0.00 0.00 38.32 38.20 3i7r h ASN 233 CO -0.01 0.63 0.59 1.56 -0.00 0.00 0.00 177.43 180.20 3i7r h GLN 234 N 1.04 1.24 -0.23 6.67 4.20 -0.61 -0.52 115.11 126.90 3i7r h GLN 234 Ca 0.29 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3i7r h GLN 234 Cb -0.08 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.42 3i7r h GLN 234 CO -0.07 0.84 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.56 3i7r h ARG 235 N 1.27 0.45 0.00 1.46 9.65 -1.06 -3.15 114.38 123.01 3i7r h ARG 235 Ca 0.34 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3i7r h ARG 235 Cb -0.10 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 3i7r h ARG 235 CO -0.07 0.70 -0.45 1.28 2.80 0.00 0.00 179.97 184.23 3i7r n LEU 236 N -4.10 0.55 -0.22 3.80 4.77 -0.74 -3.53 117.00 117.54 3i7r n LEU 236 Ca -0.01 0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 3i7r n LEU 236 Cb 0.42 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3i7r n LEU 236 CO 0.42 0.00 1.11 -0.03 -1.33 0.00 0.00 177.39 177.57 3i7r h MET 237 N 0.00 0.75 -0.94 3.23 4.05 -1.06 0.79 114.93 121.76 3i7r h MET 237 Ca 0.00 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3i7r h MET 237 Cb 0.63 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 31.20 3i7r h MET 237 CO 0.00 0.49 0.61 -1.35 0.23 0.00 0.00 176.91 176.89 3i7r h PRO 238 N 0.77 1.13 -0.68 0.39 0.11 -1.80 -1.48 132.00 130.45 3i7r h PRO 238 Ca 0.25 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3i7r h PRO 238 Cb 0.01 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.83 3i7r h PRO 238 CO -0.10 0.75 0.43 1.25 -0.21 0.00 0.00 178.00 180.13 3i7r h LEU 239 N 1.17 0.79 -1.30 2.35 5.85 -1.38 0.60 115.31 123.39 3i7r h LEU 239 Ca 0.38 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.15 3i7r h LEU 239 Cb 0.03 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3i7r h LEU 239 CO -0.13 0.59 0.53 0.45 -0.34 0.00 0.00 178.44 179.55 3i7r h HIS 240 N 0.92 0.85 0.00 1.25 3.86 0.04 -0.85 115.15 121.22 3i7r h HIS 240 Ca 0.25 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.37 3i7r h HIS 240 Cb -0.07 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 3i7r h HIS 240 CO -0.02 0.41 -0.60 -0.91 0.86 0.00 0.00 177.93 177.67 3i7r h ASN 241 N 0.80 0.00 0.99 2.45 -0.26 -0.85 -3.40 115.58 115.31 3i7r h ASN 241 Ca 0.37 -0.64 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 3i7r h ASN 241 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 3i7r h ASN 241 CO -0.14 1.17 0.00 0.29 -1.06 0.00 0.00 177.43 177.69 3i7r n LYS 242 N -4.54 0.20 0.00 0.81 4.76 0.20 -1.83 118.16 117.77 3i7r n LYS 242 Ca -0.19 0.32 0.07 0.00 -2.87 0.00 0.00 58.31 55.64 3i7r n LYS 242 Cb 0.52 -1.81 0.41 0.00 -1.84 0.00 0.00 35.03 32.31 3i7r n LYS 242 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i7r n LEU 243 N -2.18 0.00 -0.13 -0.35 4.77 -0.34 -2.06 117.00 116.72 3i7r n LEU 243 Ca 0.04 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.15 3i7r n LEU 243 Cb 0.30 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3i7r n LEU 243 CO 0.23 -0.04 0.47 0.49 -1.33 0.00 0.00 177.39 177.21 3i7r n PHE 244 N -1.08 0.00 0.03 -1.77 3.01 -0.76 -4.47 117.46 112.42 3i7r n PHE 244 Ca 0.10 -0.62 0.04 0.00 1.01 0.00 0.00 57.45 57.98 3i7r n PHE 244 Cb 0.07 -0.10 0.43 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.53 1.11 -3.03 -4.37 3.04 -1.49 -3.42 116.25 109.62 3i7r h VAL 245 Ca 0.00 -0.25 -0.41 0.00 -1.01 0.00 0.00 66.70 65.03 3i7r h VAL 245 Cb 0.96 0.61 -0.14 0.00 -2.01 0.00 0.00 31.29 30.70 3i7r h VAL 245 CO 0.00 0.11 -0.71 -1.61 -1.01 0.00 0.00 177.57 174.35 3i7r s GLU 246 N -5.38 1.29 0.11 4.17 2.02 -1.26 -5.09 118.70 114.55 3i7r s GLU 246 Ca -0.08 -1.59 -0.34 0.00 0.02 0.00 0.00 54.97 52.98 3i7r s GLU 246 Cb 0.17 -0.94 -0.13 0.00 0.10 0.00 0.00 34.13 33.33 3i7r s GLU 246 CO 0.73 0.10 1.64 -2.30 0.02 0.00 0.00 175.26 175.45 3i7r n PRO 247 N -0.36 2.15 -1.72 0.39 -0.02 -1.26 -4.51 135.00 129.67 3i7r n PRO 247 Ca -0.08 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 3i7r n PRO 247 Cb 0.61 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.10 3.60 -1.78 2.55 5.15 -1.26 -0.55 115.26 127.07 3i7r n ASN 248 Ca 0.18 1.13 -0.03 0.00 -0.60 0.00 0.00 54.58 55.27 3i7r n ASN 248 Cb 0.29 -1.55 0.27 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 2.39 3.51 0.05 1.20 -0.04 -1.26 -4.93 135.00 135.92 3i7r n PRO 249 Ca 0.10 -2.58 -0.11 0.00 -0.04 0.00 0.00 63.50 60.88 3i7r n PRO 249 Cb 0.35 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.49 0.64 -0.60 0.52 2.04 -1.10 -0.71 117.51 120.78 3i7r h ILE 250 Ca 0.18 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.93 3i7r h ILE 250 Cb 2.01 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 3i7r h ILE 250 CO 0.58 0.00 -0.03 -0.65 0.00 0.00 0.00 178.15 178.05 3i7r h PRO 251 N -0.23 1.08 -0.19 2.37 0.11 -1.78 -2.49 132.00 130.86 3i7r h PRO 251 Ca 0.05 -0.36 -0.14 0.00 0.11 0.00 0.00 66.00 65.67 3i7r h PRO 251 Cb 0.31 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3i7r h PRO 251 CO -0.15 1.06 -0.47 -0.24 -0.21 0.00 0.00 178.00 177.99 3i7r h VAL 252 N 0.98 1.32 -0.52 3.15 3.04 -1.75 -0.37 116.25 122.09 3i7r h VAL 252 Ca 0.17 -1.68 -0.09 0.00 -1.01 0.00 0.00 66.70 64.09 3i7r h VAL 252 Cb 0.59 1.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 3i7r h VAL 252 CO 0.04 0.52 -0.01 0.11 -1.01 0.00 0.00 177.57 177.22 3i7r h LYS 253 N 0.40 0.93 -0.49 4.17 1.57 -1.13 -0.51 116.57 121.50 3i7r h LYS 253 Ca 0.02 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3i7r h LYS 253 Cb 0.98 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3i7r h LYS 253 CO 0.09 0.95 0.30 2.35 -0.57 0.00 0.00 179.45 182.57 3i7r h TRP 254 N 0.80 0.65 -0.50 -1.35 7.01 -1.18 -0.81 115.95 120.57 3i7r h TRP 254 Ca 0.15 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.17 3i7r h TRP 254 Cb 0.54 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 3i7r h TRP 254 CO 0.04 0.44 0.30 0.00 -2.79 0.00 0.00 178.44 176.43 3i7r h ALA 255 N 1.15 0.64 -0.79 2.65 0.00 -0.88 0.12 119.26 122.15 3i7r h ALA 255 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3i7r h ALA 255 Cb -0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3i7r h ALA 255 CO -0.03 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.71 3i7r h LYS 257 N 0.94 0.81 -0.52 0.00 3.64 -0.43 -0.28 116.57 120.72 3i7r h LYS 257 Ca 0.33 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3i7r h LYS 257 Cb 0.07 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3i7r h LYS 257 CO -0.14 0.85 0.27 1.49 -2.27 0.00 0.00 179.45 179.66 3i7r h GLU 258 N 0.66 0.71 -0.00 1.90 4.57 -0.39 -1.25 114.58 120.77 3i7r h GLU 258 Ca 0.13 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3i7r h GLU 258 Cb 0.48 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3i7r h GLU 258 CO 0.02 0.53 -0.02 1.28 -1.18 0.00 0.00 179.01 179.65 3i7r n LEU 259 N -4.40 0.24 -0.42 1.64 4.77 -0.36 -4.91 117.00 113.57 3i7r n LEU 259 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 3i7r n LEU 259 Cb 0.10 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3i7r n LEU 259 CO 0.37 0.04 -0.05 0.61 -1.33 0.00 0.00 177.39 177.03 3i7r n GLY 260 N 1.12 0.77 0.11 -0.72 0.00 -0.47 -4.93 105.19 101.08 3i7r n GLY 260 Ca 0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 0.01 -8.70 0.99 3.38 -1.27 -3.46 115.31 106.26 3i7r h LEU 261 Ca -0.11 -0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.43 3i7r h LEU 261 Cb 0.50 -0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.08 3i7r h LEU 261 CO 0.16 0.75 -0.75 0.68 0.09 0.00 0.00 178.44 179.37 3i7r s VAL 262 N -3.31 1.45 0.02 1.22 -7.23 -1.14 -4.37 120.40 107.04 3i7r s VAL 262 Ca -0.01 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.05 3i7r s VAL 262 Cb 0.12 -1.71 -0.16 0.00 0.56 0.00 0.00 36.38 35.18 3i7r s VAL 262 CO 0.78 -0.48 1.33 0.00 -0.31 0.00 0.00 175.10 176.42 3i7r h ALA 263 N 3.20 0.13 -2.61 1.32 0.00 -1.91 -3.39 119.26 116.00 3i7r h ALA 263 Ca -0.39 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 53.91 3i7r h ALA 263 Cb 1.20 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 3i7r h ALA 263 CO 0.55 -0.06 -0.73 0.95 0.00 0.00 0.00 179.25 179.95 3i7r s THR 264 N -4.36 1.05 -0.34 0.00 -4.23 -1.26 -5.02 115.64 101.48 3i7r s THR 264 Ca -0.15 -1.77 0.12 0.00 -1.18 0.00 0.00 61.69 58.71 3i7r s THR 264 Cb 0.04 -1.52 0.71 0.00 1.34 0.00 0.00 72.50 73.07 3i7r s THR 264 CO 0.72 -0.60 1.61 -0.90 -0.54 0.00 0.00 174.62 174.91 3i7r n ASP 265 N 0.34 5.05 -4.78 3.99 5.75 -1.26 -4.51 116.55 121.14 3i7r n ASP 265 Ca -0.14 -2.85 -0.41 0.00 -0.01 0.00 0.00 54.79 51.38 3i7r n ASP 265 Cb 0.58 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 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 -2.56 2.20 0.41 2.12 2.01 -1.26 -4.70 115.64 113.85 3i7r s THR 266 Ca 0.48 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.71 3i7r s THR 266 Cb 0.37 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3i7r s THR 266 CO 0.14 0.05 0.09 -0.76 -0.69 0.00 0.00 174.62 173.44 3i7r s LEU 267 N -1.98 2.12 -0.07 4.42 1.02 -1.26 -4.38 118.68 118.56 3i7r s LEU 267 Ca 0.52 -1.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.06 3i7r s LEU 267 Cb -0.45 -0.31 -0.03 0.00 0.02 0.00 0.00 46.19 45.41 3i7r s LEU 267 CO 0.60 -0.83 0.03 -0.13 0.02 0.00 0.00 176.35 176.05 3i7r s ARG 268 N -3.78 3.02 0.34 1.70 0.52 -1.26 -4.85 118.95 114.64 3i7r s ARG 268 Ca 0.24 -0.40 -0.27 0.00 -0.52 0.00 0.00 55.73 54.77 3i7r s ARG 268 Cb 0.04 -2.83 -0.12 0.00 0.52 0.00 0.00 34.95 32.55 3i7r s ARG 268 CO 0.13 0.70 1.19 1.28 0.02 0.00 0.00 175.30 178.61 3i7r n LEU 269 N 1.93 3.06 0.00 2.53 4.77 -1.26 -1.37 117.00 126.66 3i7r n LEU 269 Ca -0.18 1.17 0.07 0.00 -0.03 0.00 0.00 56.01 57.05 3i7r n LEU 269 Cb 0.54 -1.42 0.41 0.00 -2.33 0.00 0.00 43.42 40.62 3i7r n LEU 269 CO 0.30 -0.83 0.76 -0.81 -1.33 0.00 0.00 177.39 175.48 3i7r n PRO 270 N 0.50 0.99 -2.48 3.23 -0.04 -1.26 -4.95 135.00 130.98 3i7r n PRO 270 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 3i7r n PRO 270 Cb 0.36 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.00 4.57 0.20 0.54 -1.94 -0.47 -5.06 119.30 115.14 3i7r s MET 271 Ca 0.21 1.76 0.07 0.00 -1.71 0.00 0.00 55.69 56.03 3i7r s MET 271 Cb 0.10 -3.10 -0.05 0.00 2.01 0.00 0.00 34.83 33.79 3i7r s MET 271 CO 0.16 0.16 -0.14 0.95 -0.01 0.00 0.00 175.02 176.14 3i7r s THR 272 N -1.23 1.69 0.66 2.05 -4.23 -1.26 -4.53 115.64 108.78 3i7r s THR 272 Ca 0.46 -2.20 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 3i7r s THR 272 Cb -0.31 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 3i7r s THR 272 CO 0.39 -0.61 1.06 -2.65 -0.54 0.00 0.00 174.62 172.27 3i7r n PRO 273 N -0.36 0.80 -1.74 3.99 -0.02 -1.26 -4.92 135.00 131.48 3i7r n PRO 273 Ca -0.08 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 3i7r n PRO 273 Cb 0.60 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.10 3.07 -2.05 4.25 3.06 -1.26 -5.01 119.36 119.32 3i7r n ILE 274 Ca 0.14 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.59 3i7r n ILE 274 Cb 0.48 -1.72 0.02 0.00 0.54 0.00 0.00 39.64 38.96 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 -1.23 4.40 0.26 9.51 -4.23 -1.26 -4.91 115.64 118.19 3i7r s THR 275 Ca 0.64 0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 61.74 3i7r s THR 275 Cb -0.45 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 69.89 3i7r s THR 275 CO 0.55 -0.93 1.82 0.44 -0.54 0.00 0.00 174.62 175.95 3i7r h ASP 276 N -0.28 0.77 -0.20 3.99 3.32 -2.00 -1.30 116.42 120.73 3i7r h ASP 276 Ca -0.45 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 3i7r h ASP 276 Cb 1.21 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3i7r h ASP 276 CO 0.62 0.41 -0.16 -1.28 -1.72 0.00 0.00 179.24 177.11 3i7r h SER 277 N 0.86 0.60 -0.26 6.45 0.87 -2.00 -2.10 113.55 117.98 3i7r h SER 277 Ca 0.45 -0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3i7r h SER 277 Cb 0.46 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3i7r h SER 277 CO -0.27 0.78 -0.28 1.23 -0.53 0.00 0.00 176.83 177.77 3i7r h GLY 278 N 0.98 0.82 0.93 5.77 0.00 -1.74 -1.85 103.07 107.98 3i7r h GLY 278 Ca 0.09 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.71 3i7r h GLY 278 CO 0.04 0.67 0.47 3.21 0.00 0.00 0.00 176.54 180.92 3i7r h ARG 279 N 0.65 0.90 -0.08 4.80 3.08 -0.88 -0.58 114.38 122.27 3i7r h ARG 279 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i7r h ARG 279 Cb 0.79 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3i7r h ARG 279 CO 0.07 0.60 0.03 1.49 -1.07 0.00 0.00 179.97 181.09 3i7r h GLU 280 N 0.93 0.12 -0.17 0.04 4.81 -1.22 -0.23 114.58 118.86 3i7r h GLU 280 Ca 0.28 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3i7r h GLU 280 Cb -0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3i7r h GLU 280 CO -0.09 0.23 0.04 1.15 -0.73 0.00 0.00 179.01 179.61 3i7r h THR 281 N -0.02 0.93 -0.13 0.32 2.02 -1.13 -1.72 112.91 113.19 3i7r h THR 281 Ca 0.03 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3i7r h THR 281 Cb 0.15 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3i7r h THR 281 CO -0.00 0.02 -0.18 0.58 0.37 0.00 0.00 175.52 176.30 3i7r h VAL 282 N 0.11 1.36 -0.81 3.16 2.07 -1.03 -2.02 116.25 119.09 3i7r h VAL 282 Ca 0.07 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.31 3i7r h VAL 282 Cb 0.06 1.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3i7r h VAL 282 CO -0.10 0.41 0.43 -0.09 0.02 0.00 0.00 177.57 178.25 3i7r h ARG 283 N -0.04 0.66 -0.87 1.57 2.43 -1.02 -0.18 114.38 116.94 3i7r h ARG 283 Ca 0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3i7r h ARG 283 Cb 0.74 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3i7r h ARG 283 CO 0.04 0.44 0.45 0.00 -1.51 0.00 0.00 179.97 179.39 3i7r h ALA 284 N 1.49 1.12 -0.60 2.80 0.00 -1.07 -1.64 119.26 121.37 3i7r h ALA 284 Ca 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3i7r h ALA 284 Cb 0.49 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i7r h ALA 284 CO -0.30 0.66 0.23 0.00 0.00 0.00 0.00 179.25 179.84 3i7r h ALA 285 N 1.24 0.78 -0.73 0.00 0.00 -0.55 -0.77 119.26 119.23 3i7r h ALA 285 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i7r h ALA 285 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3i7r h ALA 285 CO -0.04 0.40 0.48 -0.07 0.00 0.00 0.00 179.25 180.01 3i7r h LEU 286 N 0.83 0.85 -0.19 0.00 3.38 -0.77 -0.99 115.31 118.41 3i7r h LEU 286 Ca 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3i7r h LEU 286 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i7r h LEU 286 CO -0.02 0.62 0.04 0.11 0.09 0.00 0.00 178.44 179.28 3i7r h LYS 287 N 0.99 0.31 -0.95 1.13 1.57 -1.19 0.46 116.57 118.89 3i7r h LYS 287 Ca 0.27 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 59.11 3i7r h LYS 287 Cb -0.10 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.09 3i7r h LYS 287 CO -0.06 0.46 0.60 1.25 -0.57 0.00 0.00 179.45 181.13 3i7r h HIS 288 N 0.11 0.96 0.00 -1.35 2.76 -0.91 0.49 115.15 117.20 3i7r h HIS 288 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3i7r h HIS 288 Cb 0.30 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3i7r h HIS 288 CO 0.02 0.34 0.00 0.00 -1.30 0.00 0.00 177.93 176.99 3i7r n ALA 289 N -2.39 1.97 -2.13 5.26 0.00 -0.40 -4.87 120.51 117.97 3i7r n ALA 289 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 3i7r n ALA 289 Cb 0.45 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.64 0.08 0.03 0.00 0.00 0.17 -4.93 105.19 101.19 3i7r n GLY 290 Ca 0.06 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.06 0.10 -0.09 0.99 4.77 0.08 -5.01 117.00 116.79 3i7r n LEU 291 Ca -0.09 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 55.94 3i7r n LEU 291 Cb 0.56 0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3i7r n LEU 291 CO 0.10 0.05 0.29 0.18 -1.33 0.00 0.00 177.39 176.68