#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3i s TYR 38 N 0.00 2.02 -0.33 3.69 2.02 -1.26 -0.62 117.35 122.87 2c3i s TYR 38 Ca 0.00 -0.52 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 2c3i s TYR 38 Cb 0.00 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2c3i s TYR 38 CO 0.00 -0.13 0.23 -1.14 -1.57 0.00 0.00 175.55 172.93 2c3i s GLN 39 N -0.22 3.57 -0.19 -0.62 0.74 0.39 -4.92 119.66 118.40 2c3i s GLN 39 Ca 0.01 -0.59 -0.28 0.00 0.05 0.00 0.00 55.36 54.54 2c3i s GLN 39 Cb -0.11 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.23 2c3i s GLN 39 CO 0.02 -0.39 0.99 0.08 -0.55 0.00 0.00 175.29 175.44 2c3i s VAL 40 N 1.72 4.74 0.00 1.34 1.01 -1.26 -1.76 120.40 126.19 2c3i s VAL 40 Ca 0.06 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.00 2c3i s VAL 40 Cb -0.17 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2c3i s VAL 40 CO 0.10 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2c3i n GLY 41 N 3.30 1.58 3.71 4.51 0.00 0.16 -4.96 105.19 113.50 2c3i n GLY 41 Ca 0.10 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 2c3i n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c3i s PRO 42 N 2.71 1.63 0.01 1.61 0.04 -1.26 -4.36 135.00 135.38 2c3i s PRO 42 Ca 0.00 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2c3i s PRO 42 Cb 0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2c3i s PRO 42 CO 0.00 -2.16 1.30 -1.17 0.04 0.00 0.00 177.00 175.01 2c3i s LEU 43 N -6.11 4.32 -0.01 -3.56 2.96 -1.26 -0.39 118.68 114.62 2c3i s LEU 43 Ca 0.66 2.03 0.12 0.00 -0.22 0.00 0.00 54.13 56.72 2c3i s LEU 43 Cb -0.22 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.69 2c3i s LEU 43 CO 0.55 -0.63 0.77 -0.07 -1.32 0.00 0.00 176.35 175.65 2c3i h LEU 44 N 7.86 0.00 0.00 -0.68 3.38 -0.24 -3.47 115.31 122.17 2c3i h LEU 44 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2c3i h LEU 44 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2c3i h LEU 44 CO 0.88 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.98 2c3i n GLY 45 N 1.51 1.50 3.28 0.83 0.00 -1.05 -5.02 105.19 106.25 2c3i n GLY 45 Ca -0.14 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2c3i n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c3i s SER 46 N 0.00 -0.17 0.00 1.61 1.04 -1.26 -0.76 113.70 114.16 2c3i s SER 46 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2c3i s SER 46 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2c3i s SER 46 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2c3i n GLY 47 N 0.28 -0.91 0.28 7.32 0.00 -0.04 -4.97 105.19 107.15 2c3i n GLY 47 Ca -0.17 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 45.87 2c3i n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2c3i h GLY 48 N 0.00 0.00 1.60 -0.02 0.00 -2.03 0.18 103.07 102.80 2c3i h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2c3i h GLY 48 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 2c3i n PHE 49 N -3.87 0.00 0.00 5.60 1.16 -1.26 -5.05 117.46 114.03 2c3i n PHE 49 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 2c3i n PHE 49 Cb 0.12 -0.30 0.00 0.00 -1.61 0.00 0.00 39.48 37.70 2c3i n PHE 49 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2c3i n GLY 50 N 1.13 0.05 3.05 4.97 0.00 0.05 -4.77 105.19 109.67 2c3i n GLY 50 Ca 0.13 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 2c3i n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3i s SER 51 N -4.00 2.25 -0.16 1.61 0.01 -0.29 -0.86 113.70 112.26 2c3i s SER 51 Ca 0.00 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 2c3i s SER 51 Cb 0.00 -1.01 -0.00 0.00 0.21 0.00 0.00 66.02 65.22 2c3i s SER 51 CO 0.00 0.03 -0.14 -0.69 0.41 0.00 0.00 173.24 172.85 2c3i s VAL 52 N 0.86 2.80 0.06 3.43 1.01 0.06 -0.89 120.40 127.73 2c3i s VAL 52 Ca -0.10 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2c3i s VAL 52 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2c3i s VAL 52 CO 0.01 0.51 -0.18 -0.31 0.00 0.00 0.00 175.10 175.13 2c3i s TYR 53 N 0.80 2.56 0.55 5.22 2.02 0.76 0.54 117.35 129.80 2c3i s TYR 53 Ca -0.05 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.21 2c3i s TYR 53 Cb -0.15 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 2c3i s TYR 53 CO 0.00 0.28 1.09 0.45 -1.57 0.00 0.00 175.55 175.80 2c3i s SER 54 N -1.58 5.83 0.21 2.29 0.15 0.47 -0.54 113.70 120.53 2c3i s SER 54 Ca 0.15 2.01 -0.21 0.00 0.70 0.00 0.00 55.95 58.61 2c3i s SER 54 Cb -0.11 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2c3i s SER 54 CO 0.06 -1.14 0.62 -0.83 1.20 0.00 0.00 173.24 173.16 2c3i s GLY 55 N -2.13 -0.34 -0.01 9.45 0.00 -0.58 0.40 107.32 114.10 2c3i s GLY 55 Ca 0.69 0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.49 2c3i s GLY 55 CO 0.29 -0.01 -0.03 -0.26 0.00 0.00 0.00 173.10 173.08 2c3i s ILE 56 N -3.83 0.33 -0.09 0.90 -0.00 -0.72 -1.76 121.20 116.02 2c3i s ILE 56 Ca 0.06 -0.12 -0.30 0.00 -0.00 0.00 0.00 60.65 60.29 2c3i s ILE 56 Cb -0.03 -0.32 -0.02 0.00 -0.00 0.00 0.00 42.46 42.10 2c3i s ILE 56 CO -0.04 0.12 1.12 -0.60 -0.00 0.00 0.00 174.94 175.53 2c3i s ARG 57 N 0.24 4.37 0.06 0.37 3.52 -0.32 -0.47 118.95 126.73 2c3i s ARG 57 Ca -0.02 1.54 -0.22 0.00 -0.13 0.00 0.00 55.73 56.90 2c3i s ARG 57 Cb -0.06 -3.56 -0.13 0.00 -1.56 0.00 0.00 34.95 29.64 2c3i s ARG 57 CO -0.00 -0.41 1.51 0.28 -0.81 0.00 0.00 175.30 175.87 2c3i h VAL 58 N 5.09 1.23 -1.35 7.11 2.07 -1.21 0.75 116.25 129.93 2c3i h VAL 58 Ca -0.32 -0.72 0.39 0.00 0.82 0.00 0.00 66.70 66.88 2c3i h VAL 58 Cb 1.15 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2c3i h VAL 58 CO 0.88 0.21 1.26 0.28 0.02 0.00 0.00 177.57 180.21 2c3i h SER 59 N -0.03 0.00 0.00 0.57 0.02 -1.92 -3.26 113.55 108.93 2c3i h SER 59 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2c3i h SER 59 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2c3i h SER 59 CO 0.00 0.00 -0.03 -0.90 -1.14 0.00 0.00 176.83 174.77 2c3i n ASP 60 N -3.52 -0.09 -1.92 3.07 5.75 -1.10 -5.03 116.55 113.71 2c3i n ASP 60 Ca 0.30 -0.90 -0.14 0.00 -0.01 0.00 0.00 54.79 54.05 2c3i n ASP 60 Cb 1.66 0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 41.75 2c3i n ASP 60 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2c3i n ASN 61 N 0.00 -3.96 -4.68 -1.12 3.02 0.26 -4.94 115.26 103.84 2c3i n ASN 61 Ca -0.03 0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 2c3i n ASN 61 Cb 0.43 -3.50 -0.03 0.00 -0.61 0.00 0.00 39.78 36.07 2c3i n ASN 61 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2c3i s LEU 62 N -4.76 4.34 0.25 3.41 2.96 -1.23 -4.70 118.68 118.95 2c3i s LEU 62 Ca 0.00 2.34 -0.31 0.00 -0.22 0.00 0.00 54.13 55.94 2c3i s LEU 62 Cb 0.00 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 43.02 2c3i s LEU 62 CO 0.00 -0.84 1.59 -2.84 -1.32 0.00 0.00 176.35 172.94 2c3i s PRO 63 N 2.77 4.16 0.19 0.98 0.02 -1.26 -1.17 135.00 140.69 2c3i s PRO 63 Ca 0.71 2.50 0.01 0.00 0.02 0.00 0.00 61.00 64.24 2c3i s PRO 63 Cb -0.36 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 2c3i s PRO 63 CO 0.30 -0.62 0.03 0.14 -0.33 0.00 0.00 177.00 176.53 2c3i s VAL 64 N 0.41 0.60 -0.05 3.83 -7.23 -0.72 -3.24 120.40 114.00 2c3i s VAL 64 Ca 0.66 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 2c3i s VAL 64 Cb -0.47 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2c3i s VAL 64 CO 0.41 -0.35 -0.17 0.00 -0.31 0.00 0.00 175.10 174.68 2c3i s ALA 65 N -3.71 2.53 -0.23 1.32 0.00 0.30 -1.53 121.76 120.44 2c3i s ALA 65 Ca 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2c3i s ALA 65 Cb 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.33 2c3i s ALA 65 CO 0.06 0.51 -0.12 0.42 0.00 0.00 0.00 175.76 176.64 2c3i s ILE 66 N -0.57 2.44 -0.16 0.00 1.01 0.30 -0.74 121.20 123.49 2c3i s ILE 66 Ca 0.08 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.62 2c3i s ILE 66 Cb -0.11 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.15 2c3i s ILE 66 CO 0.01 0.27 -0.18 -0.75 0.00 0.00 0.00 174.94 174.29 2c3i s LYS 67 N 1.26 3.11 -0.14 2.79 2.20 -0.13 -0.17 119.74 128.66 2c3i s LYS 67 Ca -0.00 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.79 2c3i s LYS 67 Cb -0.16 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2c3i s LYS 67 CO -0.07 -0.05 -0.08 -1.01 -0.36 0.00 0.00 175.35 173.77 2c3i s HIS 68 N 0.93 2.91 -0.03 4.03 3.76 -0.07 -0.29 115.29 126.54 2c3i s HIS 68 Ca -0.04 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.41 2c3i s HIS 68 Cb -0.15 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.64 2c3i s HIS 68 CO -0.03 -0.14 -0.11 0.14 -0.85 0.00 0.00 174.74 173.75 2c3i s VAL 69 N 0.39 0.95 0.28 -0.90 -7.23 -0.52 -1.13 120.40 112.24 2c3i s VAL 69 Ca -0.07 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.40 2c3i s VAL 69 Cb -0.15 -0.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.85 2c3i s VAL 69 CO 0.04 0.29 0.90 -1.61 -0.31 0.00 0.00 175.10 174.42 2c3i s GLU 70 N 0.24 4.60 0.23 4.82 0.41 -1.26 -0.72 118.70 127.03 2c3i s GLU 70 Ca -0.05 1.29 -0.07 0.00 -0.41 0.00 0.00 54.97 55.73 2c3i s GLU 70 Cb -0.10 -2.95 0.21 0.00 -1.78 0.00 0.00 34.13 29.51 2c3i s GLU 70 CO 0.01 0.37 1.87 0.87 -0.49 0.00 0.00 175.26 177.89 2c3i h LYS 71 N 3.50 1.24 -0.41 1.61 1.57 -0.76 -2.01 116.57 121.31 2c3i h LYS 71 Ca -0.47 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.22 2c3i h LYS 71 Cb 1.19 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2c3i h LYS 71 CO 0.66 0.88 0.27 -0.44 -0.57 0.00 0.00 179.45 180.25 2c3i h ASP 72 N 1.25 0.36 1.75 0.86 5.19 -1.94 -1.91 116.42 121.99 2c3i h ASP 72 Ca 0.32 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.71 2c3i h ASP 72 Cb -0.02 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 2c3i h ASP 72 CO -0.06 0.25 -0.10 0.03 -3.12 0.00 0.00 179.24 176.25 2c3i h ARG 73 N 0.42 0.00 -6.45 3.56 3.08 -1.74 -3.44 114.38 109.81 2c3i h ARG 73 Ca 0.17 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.68 2c3i h ARG 73 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2c3i h ARG 73 CO -0.04 0.10 0.39 0.42 -1.07 0.00 0.00 179.97 179.76 2c3i s ILE 74 N -3.24 4.72 -0.16 2.04 1.01 -0.72 -4.96 121.20 119.89 2c3i s ILE 74 Ca 0.06 2.01 0.05 0.00 0.00 0.00 0.00 60.65 62.76 2c3i s ILE 74 Cb 0.06 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.11 2c3i s ILE 74 CO 0.67 0.18 -0.08 -1.54 0.00 0.00 0.00 174.94 174.17 2c3i n SER 75 N 3.69 2.24 -4.47 3.58 3.41 -1.26 -4.95 113.62 115.86 2c3i n SER 75 Ca 0.06 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2c3i n SER 75 Cb 0.50 0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 2c3i n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2c3i s ASP 76 N -5.35 6.05 0.46 4.04 2.15 -1.26 -5.07 116.67 117.69 2c3i s ASP 76 Ca -0.18 -0.78 0.07 0.00 0.43 0.00 0.00 52.55 52.10 2c3i s ASP 76 Cb 0.05 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 2c3i s ASP 76 CO 0.47 -0.38 0.43 0.26 -0.17 0.00 0.00 175.17 175.77 2c3i s TRP 77 N 1.68 2.38 0.38 -5.34 0.52 -1.26 -1.57 118.94 115.73 2c3i s TRP 77 Ca 0.05 -0.58 -0.14 0.00 0.02 0.00 0.00 56.10 55.45 2c3i s TRP 77 Cb -0.19 -2.13 0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2c3i s TRP 77 CO 0.10 -0.29 0.75 0.20 0.02 0.00 0.00 176.95 177.73 2c3i s GLY 78 N -4.21 0.51 0.23 0.98 0.00 0.34 -4.49 107.32 100.67 2c3i s GLY 78 Ca 0.47 -0.85 0.07 0.00 0.00 0.00 0.00 44.72 44.41 2c3i s GLY 78 CO 0.28 -0.40 0.14 -0.54 0.00 0.00 0.00 173.10 172.58 2c3i s GLU 79 N -2.39 2.79 2.13 2.90 2.02 -1.26 -1.46 118.70 123.42 2c3i s GLU 79 Ca 0.17 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2c3i s GLU 79 Cb -0.05 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2c3i s GLU 79 CO 0.13 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2c3i n GLY 83 N -0.86 0.84 0.00 -1.39 0.00 -1.26 -4.96 105.19 97.56 2c3i n GLY 83 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2c3i n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3i n THR 84 N 0.00 0.00 -1.77 2.61 -2.24 -1.26 -5.04 114.28 106.58 2c3i n THR 84 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2c3i n THR 84 Cb 0.00 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 2c3i n THR 84 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2c3i s ARG 85 N 2.69 3.60 0.31 -0.78 3.52 -1.26 -4.91 118.95 122.12 2c3i s ARG 85 Ca 0.00 2.08 0.10 0.00 -0.13 0.00 0.00 55.73 57.78 2c3i s ARG 85 Cb 0.00 -4.22 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 2c3i s ARG 85 CO 0.00 -1.56 -0.07 0.14 -0.81 0.00 0.00 175.30 173.00 2c3i s VAL 86 N 6.34 2.66 0.53 7.11 -7.23 -0.54 -4.94 120.40 124.33 2c3i s VAL 86 Ca 0.89 -2.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 2c3i s VAL 86 Cb -0.33 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 2c3i s VAL 86 CO 0.35 -0.29 1.29 -2.84 -0.31 0.00 0.00 175.10 173.30 2c3i s PRO 87 N -3.63 3.30 0.38 4.82 0.02 -1.26 -0.51 135.00 138.12 2c3i s PRO 87 Ca 0.32 2.06 0.13 0.00 0.02 0.00 0.00 61.00 63.53 2c3i s PRO 87 Cb -0.02 -2.27 0.94 0.00 0.02 0.00 0.00 34.50 33.17 2c3i s PRO 87 CO 0.18 -1.01 1.85 1.98 -0.33 0.00 0.00 177.00 179.67 2c3i h MET 88 N 1.57 0.54 -0.97 5.54 4.05 -1.51 0.13 114.93 124.28 2c3i h MET 88 Ca -0.50 -0.03 0.16 0.00 -0.28 0.00 0.00 59.70 59.05 2c3i h MET 88 Cb 1.28 -0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.88 2c3i h MET 88 CO 0.58 0.36 0.61 1.49 0.23 0.00 0.00 176.91 180.17 2c3i h GLU 89 N 0.56 0.74 -0.28 0.39 4.81 -1.84 0.12 114.58 119.08 2c3i h GLU 89 Ca 0.47 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 2c3i h GLU 89 Cb 0.96 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2c3i h GLU 89 CO -0.21 0.49 -0.15 0.28 -0.73 0.00 0.00 179.01 178.69 2c3i h VAL 90 N 0.77 1.30 -0.37 0.32 2.07 -1.33 0.75 116.25 119.77 2c3i h VAL 90 Ca 0.51 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2c3i h VAL 90 Cb 0.79 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2c3i h VAL 90 CO -0.28 0.40 0.19 0.58 0.02 0.00 0.00 177.57 178.47 2c3i h VAL 91 N 0.34 0.99 -0.22 2.57 2.07 -1.13 -1.97 116.25 118.89 2c3i h VAL 91 Ca 0.06 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 2c3i h VAL 91 Cb 0.67 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2c3i h VAL 91 CO 0.04 0.07 -0.30 -0.07 0.02 0.00 0.00 177.57 177.33 2c3i h LEU 92 N 0.38 0.65 -1.13 2.57 3.38 -0.93 -2.12 115.31 118.12 2c3i h LEU 92 Ca 0.15 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2c3i h LEU 92 Cb 0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2c3i h LEU 92 CO -0.10 1.03 0.49 -0.07 0.09 0.00 0.00 178.44 179.88 2c3i h LEU 93 N 0.29 0.96 -1.01 1.67 3.38 -0.75 -1.30 115.31 118.54 2c3i h LEU 93 Ca 0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2c3i h LEU 93 Cb 0.88 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2c3i h LEU 93 CO 0.07 0.73 -0.25 0.11 0.09 0.00 0.00 178.44 179.19 2c3i h LYS 94 N 1.11 0.41 -0.08 1.13 1.57 -1.19 0.87 116.57 120.38 2c3i h LYS 94 Ca 0.29 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2c3i h LYS 94 Cb -0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2c3i h LYS 94 CO -0.06 0.63 -0.27 0.87 -0.57 0.00 0.00 179.45 180.06 2c3i h LYS 95 N 0.36 0.15 -0.01 3.15 1.57 -0.56 -3.28 116.57 117.95 2c3i h LYS 95 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2c3i h LYS 95 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2c3i h LYS 95 CO 0.05 0.41 -0.27 1.33 -0.57 0.00 0.00 179.45 180.40 2c3i n VAL 96 N -4.17 0.00 1.10 0.50 0.24 -0.88 -4.61 118.33 110.51 2c3i n VAL 96 Ca -0.01 -0.37 0.11 0.00 -2.04 0.00 0.00 64.34 62.03 2c3i n VAL 96 Cb 0.35 1.19 0.35 0.00 -1.47 0.00 0.00 33.84 34.26 2c3i n VAL 96 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2c3i n SER 97 N -0.02 1.97 -4.78 -1.34 7.64 0.26 -4.83 113.62 112.52 2c3i n SER 97 Ca 0.06 -1.75 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 2c3i n SER 97 Cb 0.32 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 2c3i n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2c3i s SER 98 N -1.59 6.80 0.05 6.43 1.04 -1.26 -4.85 113.70 120.32 2c3i s SER 98 Ca 0.33 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2c3i s SER 98 Cb 0.18 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2c3i s SER 98 CO 0.27 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.27 2c3i n GLY 99 N 2.49 -2.36 3.77 7.32 0.00 -1.26 -4.88 105.19 110.25 2c3i n GLY 99 Ca -0.10 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 2c3i n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c3i s PHE 100 N -2.64 2.83 0.19 1.61 0.08 -1.26 -5.04 117.98 113.74 2c3i s PHE 100 Ca 0.00 1.45 -0.16 0.00 0.12 0.00 0.00 56.93 58.33 2c3i s PHE 100 Cb 0.00 -3.60 0.06 0.00 -0.57 0.00 0.00 43.02 38.91 2c3i s PHE 100 CO 0.00 -1.95 0.80 -1.13 -0.10 0.00 0.00 175.22 172.83 2c3i n SER 101 N -0.03 -1.52 -1.48 1.36 3.41 -1.26 -4.99 113.62 109.10 2c3i n SER 101 Ca 0.05 -1.87 -0.08 0.00 -0.26 0.00 0.00 58.87 56.71 2c3i n SER 101 Cb 0.45 2.49 0.04 0.00 -0.26 0.00 0.00 64.21 66.92 2c3i n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c3i n GLY 102 N -0.56 2.96 3.26 5.00 0.00 -1.26 -4.82 105.19 109.77 2c3i n GLY 102 Ca -0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2c3i n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3i s VAL 103 N -1.07 2.07 0.02 1.61 1.01 -1.26 -0.61 120.40 122.18 2c3i s VAL 103 Ca 0.17 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 2c3i s VAL 103 Cb 0.14 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 2c3i s VAL 103 CO 0.02 0.57 1.62 -0.63 0.00 0.00 0.00 175.10 176.68 2c3i s ILE 104 N -0.09 3.29 0.19 2.22 -1.09 -0.77 -4.84 121.20 120.11 2c3i s ILE 104 Ca -0.06 0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 58.93 2c3i s ILE 104 Cb -0.14 -3.41 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2c3i s ILE 104 CO 0.04 -0.02 0.45 0.00 -1.23 0.00 0.00 174.94 174.19 2c3i s ARG 105 N 3.01 3.69 -0.24 2.79 1.70 -1.26 -4.86 118.95 123.77 2c3i s ARG 105 Ca 0.72 0.06 -0.26 0.00 -0.47 0.00 0.00 55.73 55.78 2c3i s ARG 105 Cb -0.37 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.26 2c3i s ARG 105 CO 0.31 0.39 0.91 -1.17 -1.08 0.00 0.00 175.30 174.66 2c3i s LEU 106 N -2.77 4.08 -0.08 -1.89 2.96 -1.26 -1.57 118.68 118.15 2c3i s LEU 106 Ca 0.44 1.14 0.08 0.00 -0.22 0.00 0.00 54.13 55.57 2c3i s LEU 106 Cb -0.12 -3.32 -0.24 0.00 0.50 0.00 0.00 46.19 43.02 2c3i s LEU 106 CO 0.24 -0.59 0.52 0.18 -1.32 0.00 0.00 176.35 175.38 2c3i n LEU 107 N 6.15 1.30 -3.66 -0.68 4.77 0.13 -4.99 117.00 120.03 2c3i n LEU 107 Ca 0.08 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 2c3i n LEU 107 Cb 0.47 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2c3i n LEU 107 CO 0.49 0.53 0.93 -0.62 -1.33 0.00 0.00 177.39 177.39 2c3i s ASP 108 N -6.29 -0.11 0.12 -1.43 2.15 -1.04 -5.01 116.67 105.06 2c3i s ASP 108 Ca -0.10 -0.22 -0.15 0.00 0.43 0.00 0.00 52.55 52.51 2c3i s ASP 108 Cb 0.07 0.28 0.03 0.00 -0.30 0.00 0.00 42.92 43.01 2c3i s ASP 108 CO 0.81 -0.52 0.37 -1.66 -0.17 0.00 0.00 175.17 173.99 2c3i s TRP 109 N -2.75 -0.13 -0.05 -5.34 1.48 -1.26 -0.46 118.94 110.42 2c3i s TRP 109 Ca 0.13 -0.21 -0.06 0.00 -1.06 0.00 0.00 56.10 54.90 2c3i s TRP 109 Cb 0.02 0.21 0.01 0.00 -1.16 0.00 0.00 33.47 32.55 2c3i s TRP 109 CO -0.02 -0.69 0.15 -0.06 -4.06 0.00 0.00 176.95 172.28 2c3i s PHE 110 N -3.82 -0.15 -0.11 1.66 0.08 -0.20 -4.99 117.98 110.45 2c3i s PHE 110 Ca 0.04 0.37 -0.10 0.00 0.12 0.00 0.00 56.93 57.36 2c3i s PHE 110 Cb 0.02 0.05 -0.05 0.00 -0.57 0.00 0.00 43.02 42.48 2c3i s PHE 110 CO -0.11 -0.10 0.21 -2.00 -0.10 0.00 0.00 175.22 173.12 2c3i s GLU 111 N -0.05 3.70 0.45 0.44 2.12 -1.26 -0.92 118.70 123.17 2c3i s GLU 111 Ca -0.01 -0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.36 2c3i s GLU 111 Cb -0.02 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2c3i s GLU 111 CO 0.00 0.66 0.09 1.03 -0.54 0.00 0.00 175.26 176.50 2c3i s ARG 112 N -0.74 2.13 0.25 4.30 0.52 0.14 -4.99 118.95 120.55 2c3i s ARG 112 Ca 0.16 -2.10 -0.05 0.00 -0.52 0.00 0.00 55.73 53.23 2c3i s ARG 112 Cb -0.13 -1.75 0.37 0.00 0.52 0.00 0.00 34.95 33.95 2c3i s ARG 112 CO 0.05 -0.20 1.84 -1.35 0.02 0.00 0.00 175.30 175.66 2c3i h PRO 113 N 1.47 0.92 -0.01 3.54 0.11 -2.03 -3.22 132.00 132.78 2c3i h PRO 113 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2c3i h PRO 113 Cb 1.27 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2c3i h PRO 113 CO 0.74 0.61 -0.23 -0.25 -0.21 0.00 0.00 178.00 178.66 2c3i n ASP 114 N -4.64 1.36 -3.67 -2.05 8.00 -1.26 -4.97 116.55 109.31 2c3i n ASP 114 Ca 0.13 -1.18 -0.10 0.00 0.71 0.00 0.00 54.79 54.35 2c3i n ASP 114 Cb 0.21 0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.72 2c3i n ASP 114 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c3i s SER 115 N -1.48 -0.31 0.04 -2.24 1.04 -1.22 0.01 113.70 109.55 2c3i s SER 115 Ca 0.10 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2c3i s SER 115 Cb 0.09 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 2c3i s SER 115 CO 0.29 -1.02 -0.02 -0.36 0.98 0.00 0.00 173.24 173.11 2c3i s PHE 116 N -3.84 2.98 -0.12 5.02 0.08 0.11 0.24 117.98 122.45 2c3i s PHE 116 Ca 0.07 -0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.14 2c3i s PHE 116 Cb -0.01 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2c3i s PHE 116 CO -0.06 0.45 -0.20 0.08 -0.10 0.00 0.00 175.22 175.39 2c3i s VAL 117 N -1.16 1.81 -0.10 -0.44 1.01 -0.10 -1.44 120.40 120.00 2c3i s VAL 117 Ca 0.21 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2c3i s VAL 117 Cb -0.11 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2c3i s VAL 117 CO 0.13 0.50 -0.12 -0.76 0.00 0.00 0.00 175.10 174.85 2c3i s LEU 118 N 0.75 2.81 -0.26 3.92 1.02 0.61 -1.03 118.68 126.50 2c3i s LEU 118 Ca -0.10 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.74 2c3i s LEU 118 Cb -0.16 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2c3i s LEU 118 CO 0.01 0.25 0.08 -0.63 0.02 0.00 0.00 176.35 176.08 2c3i s ILE 119 N -0.16 4.37 0.22 -0.59 -1.09 0.39 -0.95 121.20 123.39 2c3i s ILE 119 Ca -0.00 -0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.34 2c3i s ILE 119 Cb -0.13 -3.06 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 2c3i s ILE 119 CO 0.03 0.31 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.10 2c3i s LEU 120 N 1.62 2.52 0.61 2.97 1.43 0.09 0.22 118.68 128.13 2c3i s LEU 120 Ca 0.06 -0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 2c3i s LEU 120 Cb -0.15 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2c3i s LEU 120 CO 0.04 0.01 1.29 -1.61 0.23 0.00 0.00 176.35 176.31 2c3i s GLU 121 N -3.21 2.81 -0.20 1.70 2.02 -0.61 -0.54 118.70 120.69 2c3i s GLU 121 Ca 0.24 2.05 -0.02 0.00 0.02 0.00 0.00 54.97 57.26 2c3i s GLU 121 Cb -0.05 -1.98 0.06 0.00 0.10 0.00 0.00 34.13 32.26 2c3i s GLU 121 CO 0.11 -1.39 0.01 0.50 0.02 0.00 0.00 175.26 174.51 2c3i s ARG 122 N -3.23 0.91 0.72 1.61 3.52 -1.20 -4.33 118.95 116.95 2c3i s ARG 122 Ca 0.78 -0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 55.72 2c3i s ARG 122 Cb -0.37 -2.17 0.03 0.00 -1.56 0.00 0.00 34.95 30.89 2c3i s ARG 122 CO 0.40 -0.61 1.12 -2.14 -0.81 0.00 0.00 175.30 173.27 2c3i s PRO 123 N 1.75 2.38 -0.21 5.12 0.02 -1.26 -4.60 135.00 138.20 2c3i s PRO 123 Ca -0.02 1.40 -0.06 0.00 0.02 0.00 0.00 61.00 62.35 2c3i s PRO 123 Cb -0.17 -1.90 0.10 0.00 0.02 0.00 0.00 34.50 32.55 2c3i s PRO 123 CO -0.07 -1.58 0.41 -2.00 -0.33 0.00 0.00 177.00 173.43 2c3i s GLU 124 N -4.34 0.33 0.55 5.54 2.12 -1.26 -4.39 118.70 117.26 2c3i s GLU 124 Ca 0.67 0.94 0.01 0.00 0.36 0.00 0.00 54.97 56.95 2c3i s GLU 124 Cb -0.21 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.40 2c3i s GLU 124 CO 0.48 -0.33 0.78 -1.25 -0.54 0.00 0.00 175.26 174.39 2c3i s PRO 125 N 2.61 2.53 -0.27 4.30 0.04 -1.26 -4.90 135.00 138.04 2c3i s PRO 125 Ca 0.01 -0.78 -0.14 0.00 0.04 0.00 0.00 61.00 60.13 2c3i s PRO 125 Cb -0.13 -2.48 0.09 0.00 0.04 0.00 0.00 34.50 32.02 2c3i s PRO 125 CO -0.13 -0.73 0.65 0.54 0.04 0.00 0.00 177.00 177.36 2c3i s VAL 126 N -2.77 -0.20 0.00 -0.36 0.11 -1.26 -1.80 120.40 114.12 2c3i s VAL 126 Ca 0.57 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2c3i s VAL 126 Cb -0.10 -0.95 -0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2c3i s VAL 126 CO 0.39 0.01 -0.01 -1.58 -3.33 0.00 0.00 175.10 170.57 2c3i s GLN 127 N 1.88 0.08 0.51 1.54 0.74 -0.78 -4.97 119.66 118.65 2c3i s GLN 127 Ca -0.09 -0.11 -0.19 0.00 0.05 0.00 0.00 55.36 55.02 2c3i s GLN 127 Cb -0.07 -0.02 -0.08 0.00 1.10 0.00 0.00 33.01 33.95 2c3i s GLN 127 CO -0.19 0.00 1.05 0.16 -0.55 0.00 0.00 175.29 175.76 2c3i s ASP 128 N -0.23 6.22 0.38 6.67 3.84 -1.26 -0.46 116.67 131.83 2c3i s ASP 128 Ca -0.02 1.93 0.06 0.00 -0.00 0.00 0.00 52.55 54.52 2c3i s ASP 128 Cb -0.02 -2.56 0.75 0.00 -1.38 0.00 0.00 42.92 39.72 2c3i s ASP 128 CO -0.00 -0.87 1.98 0.25 -0.00 0.00 0.00 175.17 176.52 2c3i h LEU 129 N 1.36 0.46 -0.12 2.11 5.85 -0.67 -1.31 115.31 122.98 2c3i h LEU 129 Ca -0.49 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.21 2c3i h LEU 129 Cb 1.22 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2c3i h LEU 129 CO 0.59 0.43 -0.07 0.15 -0.34 0.00 0.00 178.44 179.20 2c3i h PHE 130 N 0.51 -0.16 -0.39 1.25 3.57 -1.74 -1.70 116.94 118.28 2c3i h PHE 130 Ca 0.12 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 2c3i h PHE 130 Cb 0.13 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2c3i h PHE 130 CO 0.01 -0.11 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.31 2c3i h ASP 131 N -0.06 0.79 -0.72 0.41 3.32 -1.83 -1.50 116.42 116.83 2c3i h ASP 131 Ca 0.07 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.91 2c3i h ASP 131 Cb 0.17 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 2c3i h ASP 131 CO -0.16 0.99 0.40 0.15 -1.72 0.00 0.00 179.24 178.90 2c3i h PHE 132 N 0.68 0.74 -0.17 4.55 3.57 -1.06 -0.79 116.94 124.45 2c3i h PHE 132 Ca 0.09 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 2c3i h PHE 132 Cb 0.74 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2c3i h PHE 132 CO 0.04 0.33 -0.44 0.82 -2.23 0.00 0.00 178.31 176.83 2c3i h ILE 133 N 0.72 1.34 -0.40 1.41 2.04 -1.07 0.37 117.51 121.93 2c3i h ILE 133 Ca 0.33 -1.69 0.06 0.00 1.00 0.00 0.00 64.86 64.56 2c3i h ILE 133 Cb 0.24 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 2c3i h ILE 133 CO -0.21 0.52 0.10 0.74 0.00 0.00 0.00 178.15 179.31 2c3i h THR 134 N 0.26 0.83 0.37 -0.27 2.02 -1.13 0.24 112.91 115.22 2c3i h THR 134 Ca -0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2c3i h THR 134 Cb 1.05 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2c3i h THR 134 CO 0.10 0.04 -0.18 -0.08 0.37 0.00 0.00 175.52 175.77 2c3i h GLU 135 N 0.24 -0.47 -0.00 6.66 4.81 -0.95 -3.32 114.58 121.54 2c3i h GLU 135 Ca 0.19 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2c3i h GLU 135 Cb 0.21 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2c3i h GLU 135 CO -0.23 -0.30 -0.60 0.54 -0.73 0.00 0.00 179.01 177.69 2c3i n ARG 136 N -5.29 0.20 0.00 1.92 1.74 0.10 -5.07 116.66 110.26 2c3i n ARG 136 Ca -0.11 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2c3i n ARG 136 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2c3i n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c3i n GLY 137 N 1.47 -0.86 3.54 -0.13 0.00 0.82 -4.81 105.19 105.21 2c3i n GLY 137 Ca 0.06 -1.10 -0.53 0.00 0.00 0.00 0.00 46.02 44.46 2c3i n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3i n ALA 138 N 0.68 -2.03 -2.07 4.61 0.00 -1.26 -4.76 120.51 115.69 2c3i n ALA 138 Ca 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 53.44 53.59 2c3i n ALA 138 Cb 0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 2c3i n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c3i s LEU 139 N 0.65 4.44 0.39 0.00 1.43 0.08 -4.94 118.68 120.73 2c3i s LEU 139 Ca 0.81 1.49 -0.25 0.00 -1.03 0.00 0.00 54.13 55.15 2c3i s LEU 139 Cb -1.03 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 41.64 2c3i s LEU 139 CO 0.53 0.11 1.04 0.00 0.23 0.00 0.00 176.35 178.26 2c3i n GLN 140 N 1.10 1.43 -0.18 1.70 6.02 -1.26 -4.65 117.38 121.54 2c3i n GLN 140 Ca -0.04 0.51 0.08 0.00 -0.01 0.00 0.00 57.00 57.54 2c3i n GLN 140 Cb 0.50 -2.04 0.38 0.00 1.02 0.00 0.00 30.24 30.10 2c3i n GLN 140 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2c3i h GLU 141 N 1.71 0.66 -0.82 -1.09 5.08 -1.96 -0.39 114.58 117.77 2c3i h GLU 141 Ca -0.44 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2c3i h GLU 141 Cb 1.33 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2c3i h GLU 141 CO 0.58 0.44 0.43 1.49 -1.00 0.00 0.00 179.01 180.95 2c3i h GLU 142 N 0.68 1.14 -0.05 2.33 4.81 -2.00 -0.07 114.58 121.43 2c3i h GLU 142 Ca 0.32 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2c3i h GLU 142 Cb 0.37 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2c3i h GLU 142 CO -0.11 0.85 -0.35 1.25 -0.73 0.00 0.00 179.01 179.91 2c3i h LEU 143 N 1.15 0.39 -1.01 1.64 5.85 -1.65 -2.42 115.31 119.26 2c3i h LEU 143 Ca 0.29 -0.68 0.08 0.00 0.84 0.00 0.00 57.88 58.41 2c3i h LEU 143 Cb 0.05 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 2c3i h LEU 143 CO -0.04 1.02 0.65 0.00 -0.34 0.00 0.00 178.44 179.72 2c3i h ALA 144 N 0.39 1.44 -0.28 1.25 0.00 -0.92 -0.84 119.26 120.30 2c3i h ALA 144 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2c3i h ALA 144 Cb 1.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2c3i h ALA 144 CO 0.07 0.38 0.14 -0.09 0.00 0.00 0.00 179.25 179.76 2c3i h ARG 145 N 1.13 0.39 -0.24 0.00 2.43 -1.01 0.34 114.38 117.43 2c3i h ARG 145 Ca 0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 2c3i h ARG 145 Cb 0.26 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2c3i h ARG 145 CO -0.20 0.36 0.13 1.03 -1.51 0.00 0.00 179.97 179.78 2c3i h SER 146 N 0.33 0.30 0.06 -3.80 0.87 -0.97 0.05 113.55 110.38 2c3i h SER 146 Ca 0.10 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2c3i h SER 146 Cb 0.09 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2c3i h SER 146 CO -0.01 0.30 -0.03 -0.26 -0.53 0.00 0.00 176.83 176.30 2c3i h PHE 147 N 0.27 -0.07 -0.36 2.24 -1.00 -1.05 -2.51 116.94 114.46 2c3i h PHE 147 Ca 0.08 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.89 2c3i h PHE 147 Cb 0.07 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 2c3i h PHE 147 CO -0.03 0.09 0.16 0.35 -1.61 0.00 0.00 178.31 177.27 2c3i h PHE 148 N -0.23 0.30 -0.41 -0.55 3.57 -0.24 -0.88 116.94 118.50 2c3i h PHE 148 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 2c3i h PHE 148 Cb 0.20 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.78 2c3i h PHE 148 CO -0.03 0.15 -0.07 2.35 -2.23 0.00 0.00 178.31 178.48 2c3i h TRP 149 N 0.34 -0.16 -0.50 0.41 2.91 -0.94 -0.29 115.95 117.71 2c3i h TRP 149 Ca 0.16 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 2c3i h TRP 149 Cb 0.09 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2c3i h TRP 149 CO -0.11 -0.15 0.25 1.96 -1.03 0.00 0.00 178.44 179.36 2c3i h GLN 150 N 0.03 0.70 -0.29 2.65 4.20 -0.96 -1.08 115.11 120.35 2c3i h GLN 150 Ca 0.20 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 2c3i h GLN 150 Cb 0.30 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2c3i h GLN 150 CO -0.40 0.53 -0.16 0.28 -0.67 0.00 0.00 178.83 178.42 2c3i h VAL 151 N 0.70 1.30 -0.71 -0.54 2.07 -0.13 -1.81 116.25 117.12 2c3i h VAL 151 Ca 0.18 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.50 2c3i h VAL 151 Cb 0.06 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2c3i h VAL 151 CO -0.03 0.40 0.40 -0.07 0.02 0.00 0.00 177.57 178.29 2c3i h LEU 152 N 0.36 0.58 -0.64 2.57 3.38 -0.71 -0.33 115.31 120.51 2c3i h LEU 152 Ca 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2c3i h LEU 152 Cb 0.69 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2c3i h LEU 152 CO 0.05 0.36 0.31 -0.33 0.09 0.00 0.00 178.44 178.92 2c3i h GLU 153 N 0.71 0.92 -0.63 1.13 4.39 -1.08 -0.46 114.58 119.56 2c3i h GLU 153 Ca 0.33 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2c3i h GLU 153 Cb 0.24 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2c3i h GLU 153 CO -0.21 0.73 0.35 0.00 -1.16 0.00 0.00 179.01 178.72 2c3i h ALA 154 N 1.14 0.81 -0.51 3.43 0.00 -0.89 -0.99 119.26 122.25 2c3i h ALA 154 Ca 0.22 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2c3i h ALA 154 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2c3i h ALA 154 CO -0.03 0.32 -0.16 0.28 0.00 0.00 0.00 179.25 179.67 2c3i h VAL 155 N 0.86 1.27 -0.48 0.00 2.07 -0.89 -1.88 116.25 117.20 2c3i h VAL 155 Ca 0.22 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2c3i h VAL 155 Cb 0.04 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2c3i h VAL 155 CO -0.04 0.46 0.26 0.03 0.02 0.00 0.00 177.57 178.30 2c3i h ARG 156 N 0.87 0.50 -0.37 1.57 3.08 -0.93 -0.48 114.38 118.61 2c3i h ARG 156 Ca 0.12 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2c3i h ARG 156 Cb 0.73 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 2c3i h ARG 156 CO 0.06 0.33 -0.09 1.25 -1.07 0.00 0.00 179.97 180.45 2c3i h HIS 157 N 0.52 -0.20 -0.14 3.04 2.76 -0.98 0.16 115.15 120.31 2c3i h HIS 157 Ca 0.20 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2c3i h HIS 157 Cb 0.08 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2c3i h HIS 157 CO -0.09 -0.16 0.08 0.00 -1.30 0.00 0.00 177.93 176.46 2c3i h HIS 159 N 0.15 0.92 -0.48 0.00 -0.00 -0.83 0.25 115.15 115.15 2c3i h HIS 159 Ca 0.05 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 2c3i h HIS 159 Cb 0.04 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.13 2c3i h HIS 159 CO -0.05 0.62 0.32 -0.91 -0.00 0.00 0.00 177.93 177.91 2c3i h ASN 160 N 0.95 0.38 -0.03 2.45 2.35 -0.50 -1.63 115.58 119.55 2c3i h ASN 160 Ca 0.25 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2c3i h ASN 160 Cb -0.03 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2c3i h ASN 160 CO -0.05 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 175.98 2c3i n GLY 162 N 1.03 0.70 3.23 0.00 0.00 -0.60 -4.87 105.19 104.68 2c3i n GLY 162 Ca 0.20 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2c3i n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3i s VAL 163 N -2.00 2.28 -0.23 1.61 1.01 0.77 -0.65 120.40 123.20 2c3i s VAL 163 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 2c3i s VAL 163 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2c3i s VAL 163 CO 0.00 0.54 0.10 -0.22 0.00 0.00 0.00 175.10 175.53 2c3i s LEU 164 N 0.58 3.80 -0.02 3.92 2.96 -0.26 -2.77 118.68 126.89 2c3i s LEU 164 Ca -0.12 -0.01 -0.23 0.00 -0.22 0.00 0.00 54.13 53.55 2c3i s LEU 164 Cb -0.16 -2.00 -0.21 0.00 0.50 0.00 0.00 46.19 44.31 2c3i s LEU 164 CO 0.03 0.06 1.14 -0.74 -1.32 0.00 0.00 176.35 175.52 2c3i h HIS 165 N 7.55 0.27 -0.04 5.38 -0.00 -1.94 -1.33 115.15 125.05 2c3i h HIS 165 Ca -0.37 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 59.86 2c3i h HIS 165 Cb 1.17 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 2c3i h HIS 165 CO 0.64 0.84 -0.02 0.54 -0.00 0.00 0.00 177.93 179.94 2c3i n ARG 166 N -4.55 -1.20 -2.74 5.26 1.74 -1.26 -2.86 116.66 111.05 2c3i n ARG 166 Ca -0.09 0.35 -0.03 0.00 -0.77 0.00 0.00 57.85 57.31 2c3i n ARG 166 Cb 0.44 -4.28 0.08 0.00 -1.02 0.00 0.00 32.46 27.68 2c3i n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2c3i n ASP 167 N -0.58 0.14 -4.65 0.55 2.03 -1.26 -4.33 116.55 108.45 2c3i n ASP 167 Ca -0.01 -2.28 -0.42 0.00 0.52 0.00 0.00 54.79 52.60 2c3i n ASP 167 Cb 0.31 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 2c3i n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2c3i s ILE 168 N -1.94 3.58 0.15 5.18 1.01 -1.26 -4.76 121.20 123.16 2c3i s ILE 168 Ca 0.21 0.68 -0.24 0.00 0.00 0.00 0.00 60.65 61.30 2c3i s ILE 168 Cb 0.40 -3.48 0.06 0.00 0.01 0.00 0.00 42.46 39.44 2c3i s ILE 168 CO -0.06 -0.11 0.82 -1.59 0.00 0.00 0.00 174.94 174.00 2c3i s LYS 169 N 4.27 1.29 0.48 2.79 -2.85 -1.26 -4.86 119.74 119.60 2c3i s LYS 169 Ca 0.74 -0.64 0.13 0.00 -1.00 0.00 0.00 55.97 55.21 2c3i s LYS 169 Cb -0.32 0.49 1.11 0.00 -2.06 0.00 0.00 37.83 37.06 2c3i s LYS 169 CO 0.30 -0.58 2.10 0.38 0.10 0.00 0.00 175.35 177.65 2c3i h ASP 170 N 2.00 0.19 0.60 0.03 3.04 -1.94 -0.41 116.42 119.93 2c3i h ASP 170 Ca -0.24 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 2c3i h ASP 170 Cb 1.25 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2c3i h ASP 170 CO 0.28 0.14 -0.05 -0.33 -2.04 0.00 0.00 179.24 177.24 2c3i h GLU 171 N 0.22 0.00 -0.58 4.15 5.08 -1.95 -2.70 114.58 118.81 2c3i h GLU 171 Ca 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2c3i h GLU 171 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2c3i h GLU 171 CO -0.02 0.05 0.06 0.09 -1.00 0.00 0.00 179.01 178.19 2c3i n ASN 172 N -3.26 5.35 -3.90 1.42 3.02 -0.16 -4.88 115.26 112.84 2c3i n ASN 172 Ca -0.01 -3.02 -0.25 0.00 -0.03 0.00 0.00 54.58 51.27 2c3i n ASN 172 Cb 0.24 -0.69 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 2c3i n ASN 172 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c3i s ILE 173 N -2.84 0.88 -0.04 2.41 1.01 -1.11 -0.99 121.20 120.53 2c3i s ILE 173 Ca 0.54 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 2c3i s ILE 173 Cb 0.42 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2c3i s ILE 173 CO 0.15 0.33 0.18 -0.76 0.00 0.00 0.00 174.94 174.84 2c3i s LEU 174 N 1.50 4.38 -0.19 2.97 1.43 0.03 -0.29 118.68 128.51 2c3i s LEU 174 Ca 0.00 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2c3i s LEU 174 Cb -0.13 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2c3i s LEU 174 CO -0.05 0.31 -0.00 -0.63 0.23 0.00 0.00 176.35 176.20 2c3i s ILE 175 N -1.24 4.00 -0.56 -0.59 1.01 0.39 -0.32 121.20 123.90 2c3i s ILE 175 Ca 0.24 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 2c3i s ILE 175 Cb -0.13 -2.79 0.05 0.00 0.01 0.00 0.00 42.46 39.60 2c3i s ILE 175 CO 0.14 0.45 0.92 -0.62 0.00 0.00 0.00 174.94 175.83 2c3i s ASP 176 N 0.79 6.31 0.46 3.58 -1.08 0.79 -1.86 116.67 125.65 2c3i s ASP 176 Ca 0.00 -0.48 0.23 0.00 -0.52 0.00 0.00 52.55 51.78 2c3i s ASP 176 Cb -0.14 -2.42 1.10 0.00 -1.46 0.00 0.00 42.92 39.99 2c3i s ASP 176 CO 0.02 -1.23 1.93 -0.07 0.52 0.00 0.00 175.17 176.33 2c3i h LEU 177 N 10.94 0.00 0.13 -1.34 3.38 -1.65 0.82 115.31 127.59 2c3i h LEU 177 Ca -0.27 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.44 2c3i h LEU 177 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2c3i h LEU 177 CO 1.09 0.22 -1.32 0.78 0.09 0.00 0.00 178.44 179.30 2c3i h ASN 178 N 0.00 0.44 1.06 -0.43 2.35 -1.91 -3.37 115.58 113.71 2c3i h ASN 178 Ca -0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 2c3i h ASN 178 Cb 0.56 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2c3i h ASN 178 CO 0.03 1.59 -0.37 0.54 -1.65 0.00 0.00 177.43 177.57 2c3i n ARG 179 N -3.93 0.25 -2.20 0.81 1.74 -1.14 -4.86 116.66 107.33 2c3i n ARG 179 Ca -0.22 0.12 -0.15 0.00 -0.77 0.00 0.00 57.85 56.82 2c3i n ARG 179 Cb 0.91 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.63 2c3i n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c3i n GLY 180 N 1.35 -0.07 3.63 -0.13 0.00 0.27 -3.58 105.19 106.65 2c3i n GLY 180 Ca 0.04 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2c3i n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3i s GLU 181 N -4.62 3.11 -0.04 1.61 2.02 -1.14 -4.60 118.70 115.04 2c3i s GLU 181 Ca 0.00 -0.45 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 2c3i s GLU 181 Cb 0.00 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2c3i s GLU 181 CO 0.00 0.59 0.20 -0.51 0.02 0.00 0.00 175.26 175.56 2c3i s LEU 182 N -0.58 4.38 -0.04 1.80 1.02 -1.26 -0.15 118.68 123.85 2c3i s LEU 182 Ca 0.09 0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.73 2c3i s LEU 182 Cb -0.12 -2.45 0.02 0.00 0.02 0.00 0.00 46.19 43.65 2c3i s LEU 182 CO 0.02 0.31 -0.06 -0.54 0.02 0.00 0.00 176.35 176.10 2c3i s LYS 183 N -1.56 0.95 0.17 1.70 -0.14 0.57 -4.57 119.74 116.85 2c3i s LYS 183 Ca 0.23 -0.18 -0.30 0.00 -1.36 0.00 0.00 55.97 54.37 2c3i s LYS 183 Cb -0.13 -0.90 -0.07 0.00 -1.68 0.00 0.00 37.83 35.05 2c3i s LYS 183 CO 0.13 -0.03 1.09 -0.51 -0.76 0.00 0.00 175.35 175.26 2c3i s LEU 184 N 0.74 4.49 0.33 3.17 1.43 0.22 -0.79 118.68 128.28 2c3i s LEU 184 Ca -0.11 2.05 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2c3i s LEU 184 Cb -0.14 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 2c3i s LEU 184 CO 0.01 -0.21 0.05 0.27 0.23 0.00 0.00 176.35 176.70 2c3i s ILE 185 N -0.16 1.27 -0.30 -0.59 -4.36 -0.16 -1.85 121.20 115.06 2c3i s ILE 185 Ca 0.49 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.79 2c3i s ILE 185 Cb -0.29 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.63 2c3i s ILE 185 CO 0.34 -0.01 0.35 -0.67 0.24 0.00 0.00 174.94 175.20 2c3i n ASP 186 N -0.71 -6.39 -1.27 4.36 2.03 -1.26 -4.79 116.55 108.52 2c3i n ASP 186 Ca -0.03 0.53 0.06 0.00 0.52 0.00 0.00 54.79 55.87 2c3i n ASP 186 Cb 0.67 -4.22 0.26 0.00 -0.72 0.00 0.00 41.12 37.10 2c3i n ASP 186 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2c3i n PHE 187 N -0.18 1.15 0.30 -0.67 3.72 -1.26 -4.46 117.46 116.06 2c3i n PHE 187 Ca 0.07 -0.44 0.19 0.00 -0.05 0.00 0.00 57.45 57.22 2c3i n PHE 187 Cb 0.27 -0.23 0.89 0.00 -0.94 0.00 0.00 39.48 39.46 2c3i n PHE 187 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2c3i h GLY 188 N 4.55 0.00 -1.80 1.37 0.00 -1.93 -1.70 103.07 103.56 2c3i h GLY 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2c3i h GLY 188 CO 0.21 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.19 2c3i n SER 189 N -2.92 3.10 -3.51 0.19 7.64 -1.26 -4.82 113.62 112.04 2c3i n SER 189 Ca -0.01 -1.90 -0.24 0.00 1.01 0.00 0.00 58.87 57.73 2c3i n SER 189 Cb 0.17 -0.23 0.17 0.00 -1.01 0.00 0.00 64.21 63.31 2c3i n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3i n GLY 190 N 1.07 -1.61 3.59 0.23 0.00 -0.64 -4.68 105.19 103.15 2c3i n GLY 190 Ca 0.15 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 2c3i n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3i s ALA 191 N -3.85 -0.79 0.32 4.61 0.00 -0.50 -4.97 121.76 116.58 2c3i s ALA 191 Ca 0.60 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 2c3i s ALA 191 Cb -0.02 0.90 -0.10 0.00 0.00 0.00 0.00 23.12 23.90 2c3i s ALA 191 CO 0.43 -0.85 1.36 -0.51 0.00 0.00 0.00 175.76 176.18 2c3i s LEU 192 N -2.92 4.40 0.21 0.00 1.43 -1.26 -1.10 118.68 119.44 2c3i s LEU 192 Ca 0.13 2.73 -0.30 0.00 -1.03 0.00 0.00 54.13 55.66 2c3i s LEU 192 Cb -0.02 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 2c3i s LEU 192 CO 0.02 -0.61 1.18 -0.22 0.23 0.00 0.00 176.35 176.95 2c3i s LEU 193 N -1.57 4.47 0.14 1.79 2.96 0.18 -4.69 118.68 121.96 2c3i s LEU 193 Ca 0.51 2.26 -0.05 0.00 -0.22 0.00 0.00 54.13 56.64 2c3i s LEU 193 Cb -0.41 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 2c3i s LEU 193 CO 0.53 -0.34 0.15 -1.59 -1.32 0.00 0.00 176.35 173.78 2c3i s LYS 194 N -0.53 1.00 0.00 1.98 -2.85 -1.26 -4.90 119.74 113.18 2c3i s LYS 194 Ca 0.51 -1.29 0.22 0.00 -1.00 0.00 0.00 55.97 54.41 2c3i s LYS 194 Cb -0.33 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 2c3i s LYS 194 CO 0.38 -0.32 1.07 -0.25 0.10 0.00 0.00 175.35 176.33 2c3i n ASP 195 N -0.13 1.90 -4.70 0.03 8.00 -1.26 -4.57 116.55 115.81 2c3i n ASP 195 Ca -0.07 -1.45 -0.23 0.00 0.71 0.00 0.00 54.79 53.75 2c3i n ASP 195 Cb 0.63 0.54 0.10 0.00 -0.02 0.00 0.00 41.12 42.38 2c3i n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2c3i s THR 196 N -2.55 2.17 0.34 -3.53 -4.23 -1.26 -4.99 115.64 101.60 2c3i s THR 196 Ca 0.17 -0.60 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 2c3i s THR 196 Cb 0.18 -2.57 -0.10 0.00 1.34 0.00 0.00 72.50 71.35 2c3i s THR 196 CO 0.61 0.00 0.98 0.54 -0.54 0.00 0.00 174.62 176.21 2c3i s VAL 197 N -3.11 4.03 -0.14 2.29 0.11 -1.26 -4.71 120.40 117.61 2c3i s VAL 197 Ca 0.66 1.66 -0.07 0.00 -2.93 0.00 0.00 61.98 61.29 2c3i s VAL 197 Cb -0.06 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 2c3i s VAL 197 CO 0.44 0.11 0.13 -0.31 -3.33 0.00 0.00 175.10 172.14 2c3i s TYR 198 N -1.61 3.53 0.00 1.54 2.02 0.43 -4.96 117.35 118.30 2c3i s TYR 198 Ca 0.52 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.68 2c3i s TYR 198 Cb -0.20 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2c3i s TYR 198 CO 0.26 0.62 0.81 0.25 -1.57 0.00 0.00 175.55 175.91 2c3i n THR 199 N 2.36 0.64 -4.37 -0.71 -2.24 -1.26 -1.76 114.28 106.93 2c3i n THR 199 Ca -0.19 -0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 60.66 2c3i n THR 199 Cb 0.54 0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 2c3i n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2c3i s ASP 200 N -0.64 3.16 -0.29 3.42 -4.77 -1.26 -4.89 116.67 111.40 2c3i s ASP 200 Ca 0.00 -0.76 -0.12 0.00 -3.30 0.00 0.00 52.55 48.36 2c3i s ASP 200 Cb 0.00 -0.21 0.12 0.00 -1.09 0.00 0.00 42.92 41.75 2c3i s ASP 200 CO 0.00 0.14 0.72 0.12 0.70 0.00 0.00 175.17 176.85 2c3i s PHE 201 N -1.23 -1.16 -0.11 2.11 5.36 -1.26 -5.03 117.98 116.66 2c3i s PHE 201 Ca 0.14 2.09 0.14 0.00 -0.96 0.00 0.00 56.93 58.34 2c3i s PHE 201 Cb -0.09 0.70 0.30 0.00 -0.34 0.00 0.00 43.02 43.58 2c3i s PHE 201 CO 0.06 -0.58 1.15 -0.25 -1.46 0.00 0.00 175.22 174.15 2c3i n ASP 202 N 5.03 1.52 -3.04 6.13 9.92 -1.26 -5.05 116.55 129.80 2c3i n ASP 202 Ca -0.14 -2.99 0.00 0.00 -0.53 0.00 0.00 54.79 51.13 2c3i n ASP 202 Cb 0.52 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 2c3i n ASP 202 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2c3i n GLY 203 N -0.78 -0.27 3.63 0.44 0.00 -1.26 -4.88 105.19 102.07 2c3i n GLY 203 Ca 0.13 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 2c3i n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3i s THR 204 N 0.00 5.10 0.23 2.61 2.01 -1.26 -4.98 115.64 119.35 2c3i s THR 204 Ca 0.00 0.87 -0.07 0.00 0.31 0.00 0.00 61.69 62.81 2c3i s THR 204 Cb 0.00 -3.82 0.20 0.00 0.01 0.00 0.00 72.50 68.90 2c3i s THR 204 CO 0.00 0.13 1.86 -0.09 -0.69 0.00 0.00 174.62 175.83 2c3i h ARG 205 N 7.81 0.97 0.00 4.92 2.43 -1.96 -2.02 114.38 126.55 2c3i h ARG 205 Ca -0.31 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2c3i h ARG 205 Cb 1.15 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2c3i h ARG 205 CO 0.72 0.64 0.00 1.33 -1.51 0.00 0.00 179.97 181.15 2c3i n VAL 206 N -4.59 1.18 0.60 0.20 0.24 -1.26 -1.28 118.33 113.41 2c3i n VAL 206 Ca 0.11 0.31 0.09 0.00 -2.04 0.00 0.00 64.34 62.81 2c3i n VAL 206 Cb 0.13 -1.14 0.10 0.00 -1.47 0.00 0.00 33.84 31.47 2c3i n VAL 206 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2c3i n TYR 207 N -1.59 0.11 -3.23 6.34 4.01 -0.77 -4.84 117.16 117.19 2c3i n TYR 207 Ca 0.03 -0.08 -0.36 0.00 -0.16 0.00 0.00 57.90 57.33 2c3i n TYR 207 Cb 0.14 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 2c3i n TYR 207 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2c3i s SER 208 N -1.43 6.95 0.63 7.72 1.04 -0.41 -4.09 113.70 124.12 2c3i s SER 208 Ca 0.23 1.25 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 2c3i s SER 208 Cb 0.16 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.93 2c3i s SER 208 CO 0.23 0.08 0.98 -2.16 0.98 0.00 0.00 173.24 173.35 2c3i s PRO 209 N -1.91 2.97 0.32 4.02 0.04 -1.26 -4.90 135.00 134.28 2c3i s PRO 209 Ca 0.40 0.24 0.01 0.00 0.04 0.00 0.00 61.00 61.69 2c3i s PRO 209 Cb -0.16 -2.17 0.56 0.00 0.04 0.00 0.00 34.50 32.77 2c3i s PRO 209 CO 0.20 -0.80 1.94 -1.00 0.04 0.00 0.00 177.00 177.38 2c3i h PRO 210 N -0.35 0.96 0.00 0.56 0.13 -1.89 -0.61 132.00 130.80 2c3i h PRO 210 Ca -0.45 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2c3i h PRO 210 Cb 1.25 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2c3i h PRO 210 CO 0.62 0.63 -0.13 1.05 -0.23 0.00 0.00 178.00 179.94 2c3i h GLU 211 N 0.98 0.00 -0.04 0.86 9.09 -1.85 0.15 114.58 123.76 2c3i h GLU 211 Ca 0.34 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.67 2c3i h GLU 211 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2c3i h GLU 211 CO -0.11 0.13 -0.29 2.35 0.05 0.00 0.00 179.01 181.14 2c3i h TRP 212 N 0.00 0.38 -0.23 2.06 2.91 -1.21 -1.07 115.95 118.79 2c3i h TRP 212 Ca -0.00 -0.17 0.02 0.00 1.13 0.00 0.00 58.89 59.87 2c3i h TRP 212 Cb 0.25 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 2c3i h TRP 212 CO 0.00 0.92 0.08 0.82 -1.03 0.00 0.00 178.44 179.23 2c3i h ILE 213 N -0.27 0.94 0.05 2.65 1.08 -0.93 -0.37 117.51 120.66 2c3i h ILE 213 Ca -0.02 -0.06 -0.25 0.00 -0.39 0.00 0.00 64.86 64.13 2c3i h ILE 213 Cb 0.97 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2c3i h ILE 213 CO 0.06 0.03 -1.19 0.03 -0.69 0.00 0.00 178.15 176.39 2c3i h ARG 214 N 0.19 0.11 0.00 2.37 3.08 -0.82 -3.40 114.38 115.91 2c3i h ARG 214 Ca 0.10 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2c3i h ARG 214 Cb 0.07 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2c3i h ARG 214 CO -0.10 1.04 0.00 0.66 -1.07 0.00 0.00 179.97 180.50 2c3i n TYR 215 N -3.40 0.00 -4.08 3.04 4.01 -0.41 -5.00 117.16 111.33 2c3i n TYR 215 Ca -0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.35 2c3i n TYR 215 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.02 2c3i n TYR 215 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2c3i n HIS 216 N -0.40 -2.01 -3.76 -0.72 8.25 -0.15 -4.98 115.22 111.44 2c3i n HIS 216 Ca 0.00 0.85 -0.13 0.00 -0.26 0.00 0.00 57.72 58.18 2c3i n HIS 216 Cb 0.03 -3.42 -0.14 0.00 1.12 0.00 0.00 29.99 27.58 2c3i n HIS 216 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2c3i s ARG 217 N -6.79 0.13 0.13 -0.41 0.52 -1.20 -4.39 118.95 106.94 2c3i s ARG 217 Ca 0.71 0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 56.12 2c3i s ARG 217 Cb -0.38 -0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.01 2c3i s ARG 217 CO 0.88 -0.13 0.41 1.52 0.02 0.00 0.00 175.30 178.00 2c3i s TYR 218 N 0.95 -0.20 0.15 -0.53 -0.85 -0.72 -3.73 117.35 112.42 2c3i s TYR 218 Ca -0.07 -0.12 0.05 0.00 -0.52 0.00 0.00 57.07 56.41 2c3i s TYR 218 Cb -0.09 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 2c3i s TYR 218 CO -0.05 -0.72 0.12 -1.01 -1.52 0.00 0.00 175.55 172.37 2c3i s HIS 219 N -3.81 3.15 0.02 -3.49 3.76 -1.26 -0.43 115.29 113.23 2c3i s HIS 219 Ca 0.04 -0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 2c3i s HIS 219 Cb 0.02 -1.53 -0.17 0.00 1.11 0.00 0.00 32.58 32.01 2c3i s HIS 219 CO -0.11 0.52 1.29 0.78 -0.85 0.00 0.00 174.74 176.37 2c3i h GLY 220 N 2.58 -0.46 0.98 -2.22 0.00 -1.84 -2.11 103.07 100.01 2c3i h GLY 220 Ca -0.47 0.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2c3i h GLY 220 CO 0.64 -0.17 -0.10 3.21 0.00 0.00 0.00 176.54 180.12 2c3i h ARG 221 N -0.74 0.78 -0.26 4.80 -0.00 -1.97 -1.08 114.38 115.91 2c3i h ARG 221 Ca -0.04 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.98 59.04 2c3i h ARG 221 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.41 2c3i h ARG 221 CO 0.07 0.91 -0.25 0.66 0.00 0.00 0.00 179.97 181.37 2c3i h SER 222 N 0.59 0.50 -0.23 7.04 4.64 -1.92 -1.13 113.55 123.05 2c3i h SER 222 Ca 0.10 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 2c3i h SER 222 Cb 0.63 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2c3i h SER 222 CO 0.04 0.74 -0.28 0.00 -0.87 0.00 0.00 176.83 176.46 2c3i h ALA 223 N 1.30 0.86 -0.51 5.18 0.00 -1.19 -2.33 119.26 122.56 2c3i h ALA 223 Ca 0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2c3i h ALA 223 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2c3i h ALA 223 CO 0.05 0.63 0.32 0.00 0.00 0.00 0.00 179.25 180.25 2c3i h ALA 224 N 1.07 0.65 -0.77 0.00 0.00 -0.84 -2.26 119.26 117.11 2c3i h ALA 224 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2c3i h ALA 224 Cb 0.79 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2c3i h ALA 224 CO 0.06 0.13 0.31 0.28 0.00 0.00 0.00 179.25 180.04 2c3i h VAL 225 N 0.69 1.26 -0.27 0.00 2.07 -1.13 -1.17 116.25 117.69 2c3i h VAL 225 Ca 0.18 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2c3i h VAL 225 Cb -0.03 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2c3i h VAL 225 CO -0.04 0.33 0.04 -0.25 0.02 0.00 0.00 177.57 177.67 2c3i h TRP 226 N 1.11 0.06 -0.38 1.57 2.91 -1.23 -1.09 115.95 118.90 2c3i h TRP 226 Ca 0.26 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 2c3i h TRP 226 Cb 0.21 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2c3i h TRP 226 CO 0.02 0.00 0.23 0.66 -1.03 0.00 0.00 178.44 178.32 2c3i h SER 227 N 0.13 0.44 -0.52 2.65 4.64 -0.80 -1.72 113.55 118.37 2c3i h SER 227 Ca 0.12 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 2c3i h SER 227 Cb 0.14 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2c3i h SER 227 CO -0.18 0.34 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.05 2c3i h LEU 228 N 0.52 0.94 -0.37 5.97 3.38 -0.77 -0.73 115.31 124.24 2c3i h LEU 228 Ca 0.14 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2c3i h LEU 228 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2c3i h LEU 228 CO -0.03 1.00 0.24 1.23 0.09 0.00 0.00 178.44 180.97 2c3i h GLY 229 N 0.99 0.52 0.85 0.83 0.00 -0.41 -0.32 103.07 105.53 2c3i h GLY 229 Ca 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.33 2c3i h GLY 229 CO 0.03 0.18 0.32 -2.22 0.00 0.00 0.00 176.54 174.84 2c3i h ILE 230 N 0.48 1.04 -0.67 2.60 1.08 -1.16 -1.63 117.51 119.25 2c3i h ILE 230 Ca 0.14 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2c3i h ILE 230 Cb -0.04 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 2c3i h ILE 230 CO -0.04 0.11 0.32 0.25 -0.69 0.00 0.00 178.15 178.11 2c3i h LEU 231 N 0.62 0.87 -0.24 1.44 5.85 -0.89 -0.68 115.31 122.28 2c3i h LEU 231 Ca 0.22 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2c3i h LEU 231 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2c3i h LEU 231 CO -0.11 0.76 -0.07 0.25 -0.34 0.00 0.00 178.44 178.93 2c3i h LEU 232 N 0.93 0.48 -0.21 2.25 5.85 -0.83 -1.37 115.31 122.41 2c3i h LEU 232 Ca 0.23 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2c3i h LEU 232 Cb 0.11 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2c3i h LEU 232 CO -0.03 0.74 -0.06 0.22 -0.34 0.00 0.00 178.44 178.97 2c3i h TYR 233 N 0.21 -0.12 -0.88 1.25 3.20 -1.21 -1.51 116.97 117.91 2c3i h TYR 233 Ca 0.06 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.11 2c3i h TYR 233 Cb 0.54 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 2c3i h TYR 233 CO 0.05 -0.10 0.47 0.22 -1.64 0.00 0.00 178.16 177.16 2c3i h ASP 234 N -0.01 0.57 -0.25 -2.11 3.58 -0.73 0.26 116.42 117.73 2c3i h ASP 234 Ca 0.10 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 2c3i h ASP 234 Cb 0.16 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2c3i h ASP 234 CO -0.22 0.22 -0.25 0.24 -2.88 0.00 0.00 179.24 176.35 2c3i h MET 235 N 0.64 0.61 0.00 0.28 2.86 -0.70 0.13 114.93 118.75 2c3i h MET 235 Ca 0.49 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2c3i h MET 235 Cb 0.72 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2c3i h MET 235 CO -0.38 0.93 -0.76 -0.39 1.06 0.00 0.00 176.91 177.37 2c3i h VAL 236 N 0.33 0.00 0.00 -2.22 -1.51 -0.69 0.27 116.25 112.43 2c3i h VAL 236 Ca 0.04 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2c3i h VAL 236 Cb 0.81 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2c3i h VAL 236 CO 0.06 0.00 -1.02 0.00 -1.23 0.00 0.00 177.57 175.38 2c3i n GLY 238 N 1.54 1.26 3.83 0.00 0.00 0.43 -4.53 105.19 107.73 2c3i n GLY 238 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2c3i n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c3i s ASP 239 N -3.07 -0.27 0.57 1.61 2.15 -1.16 -4.79 116.67 111.71 2c3i s ASP 239 Ca 0.00 -0.57 -0.17 0.00 0.43 0.00 0.00 52.55 52.24 2c3i s ASP 239 Cb 0.00 0.71 -0.05 0.00 -0.30 0.00 0.00 42.92 43.28 2c3i s ASP 239 CO 0.00 -1.30 1.07 0.27 -0.17 0.00 0.00 175.17 175.04 2c3i s ILE 240 N -3.86 3.63 0.13 4.11 -4.36 -1.26 -3.75 121.20 115.85 2c3i s ILE 240 Ca 0.11 0.87 0.13 0.00 -0.26 0.00 0.00 60.65 61.50 2c3i s ILE 240 Cb -0.05 -3.35 -0.00 0.00 1.25 0.00 0.00 42.46 40.31 2c3i s ILE 240 CO 0.06 -0.36 1.55 1.55 0.24 0.00 0.00 174.94 177.97 2c3i h PRO 241 N 0.79 0.00 -5.17 0.37 0.13 -1.93 -3.46 132.00 122.74 2c3i h PRO 241 Ca -0.48 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.14 2c3i h PRO 241 Cb 1.23 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 2c3i h PRO 241 CO 0.57 0.61 -0.82 -0.06 -0.23 0.00 0.00 178.00 178.07 2c3i s PHE 242 N -3.30 1.39 -0.04 1.56 0.08 -1.26 -4.97 117.98 111.44 2c3i s PHE 242 Ca 0.01 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.76 2c3i s PHE 242 Cb 0.11 -0.93 -0.06 0.00 -0.57 0.00 0.00 43.02 41.57 2c3i s PHE 242 CO 0.75 -0.09 0.03 0.39 -0.10 0.00 0.00 175.22 176.20 2c3i n GLU 243 N 3.01 2.73 -4.28 0.44 -0.58 -1.26 -4.90 120.64 115.79 2c3i n GLU 243 Ca -0.17 -0.01 -0.29 0.00 -0.42 0.00 0.00 57.16 56.28 2c3i n GLU 243 Cb 0.54 -1.12 -0.10 0.00 -0.57 0.00 0.00 31.44 30.19 2c3i n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2c3i s HIS 244 N -2.15 2.61 0.29 -0.32 3.76 -1.26 -4.92 115.29 113.30 2c3i s HIS 244 Ca -0.02 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.69 2c3i s HIS 244 Cb 0.02 -1.35 0.73 0.00 1.11 0.00 0.00 32.58 33.08 2c3i s HIS 244 CO 0.19 0.43 1.65 -0.44 -0.85 0.00 0.00 174.74 175.72 2c3i h ASP 245 N 3.50 0.06 -0.59 1.40 3.32 -1.98 -0.57 116.42 121.57 2c3i h ASP 245 Ca -0.49 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2c3i h ASP 245 Cb 1.18 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.94 2c3i h ASP 245 CO 0.50 -0.14 0.25 -0.33 -1.72 0.00 0.00 179.24 177.80 2c3i h GLU 246 N 0.23 0.91 -0.43 3.56 3.07 -1.99 -1.72 114.58 118.21 2c3i h GLU 246 Ca 0.56 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.36 59.15 2c3i h GLU 246 Cb 1.14 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 2c3i h GLU 246 CO -0.64 0.74 -0.22 0.93 -1.40 0.00 0.00 179.01 178.42 2c3i h GLU 247 N 0.90 0.91 -0.24 2.33 5.08 -1.53 -1.77 114.58 120.26 2c3i h GLU 247 Ca 0.21 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2c3i h GLU 247 Cb 0.17 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2c3i h GLU 247 CO -0.02 1.06 0.07 0.82 -1.00 0.00 0.00 179.01 179.94 2c3i h ILE 248 N 0.74 0.93 0.00 3.13 2.04 -0.89 -2.17 117.51 121.28 2c3i h ILE 248 Ca 0.09 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2c3i h ILE 248 Cb 0.79 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2c3i h ILE 248 CO 0.07 0.03 -0.14 0.16 0.00 0.00 0.00 178.15 178.27 2c3i h ILE 249 N 0.18 0.00 -0.04 -0.67 3.07 -1.35 -3.17 117.51 115.52 2c3i h ILE 249 Ca 0.10 -0.93 -0.16 0.00 1.55 0.00 0.00 64.86 65.42 2c3i h ILE 249 Cb 0.08 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2c3i h ILE 249 CO -0.11 0.00 -0.69 1.23 -1.05 0.00 0.00 178.15 177.53 2c3i h GLY 250 N 4.07 0.24 -6.27 0.16 0.00 -0.97 -3.48 103.07 96.82 2c3i h GLY 250 Ca 0.00 -0.33 -0.46 0.00 0.00 0.00 0.00 47.33 46.54 2c3i h GLY 250 CO 0.00 0.29 -0.79 0.61 0.00 0.00 0.00 176.54 176.65 2c3i n GLY 251 N 0.46 -0.41 3.55 4.60 0.00 -0.85 -4.97 105.19 107.56 2c3i n GLY 251 Ca -0.03 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2c3i n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3i s GLN 252 N -6.43 3.66 -0.32 1.61 -1.52 -1.26 -4.96 119.66 110.43 2c3i s GLN 252 Ca 0.42 -0.50 -0.15 0.00 -1.95 0.00 0.00 55.36 53.19 2c3i s GLN 252 Cb -0.21 -3.76 -0.02 0.00 -0.22 0.00 0.00 33.01 28.80 2c3i s GLN 252 CO 0.83 -0.37 0.34 0.08 -0.25 0.00 0.00 175.29 175.93 2c3i s VAL 253 N 1.78 5.19 -0.20 1.09 1.01 -1.26 -5.05 120.40 122.96 2c3i s VAL 253 Ca 0.07 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 2c3i s VAL 253 Cb -0.17 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2c3i s VAL 253 CO 0.11 0.00 0.03 -0.36 0.00 0.00 0.00 175.10 174.88 2c3i s PHE 254 N 2.00 3.12 -0.28 5.22 0.08 -1.26 -5.09 117.98 121.77 2c3i s PHE 254 Ca 0.12 -0.24 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 2c3i s PHE 254 Cb -0.16 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2c3i s PHE 254 CO 0.11 -0.10 0.55 -0.06 -0.10 0.00 0.00 175.22 175.62 2c3i s PHE 255 N 0.82 3.25 -0.52 0.36 0.08 -1.26 -4.95 117.98 115.75 2c3i s PHE 255 Ca 0.02 0.60 0.24 0.00 0.12 0.00 0.00 56.93 57.91 2c3i s PHE 255 Cb -0.14 -2.80 0.22 0.00 -0.57 0.00 0.00 43.02 39.74 2c3i s PHE 255 CO 0.02 -0.34 1.23 0.07 -0.10 0.00 0.00 175.22 176.10 2c3i h ARG 256 N 8.08 0.00 -6.00 0.44 0.11 -1.97 -3.46 114.38 111.57 2c3i h ARG 256 Ca -0.28 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.21 2c3i h ARG 256 Cb 1.13 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.07 2c3i h ARG 256 CO 0.74 0.00 -0.72 -0.65 0.10 0.00 0.00 179.97 179.44 2c3i s GLN 257 N -3.23 1.69 -0.12 0.08 -1.52 -1.26 -5.09 119.66 110.22 2c3i s GLN 257 Ca 0.04 -1.82 -0.29 0.00 -1.95 0.00 0.00 55.36 51.34 2c3i s GLN 257 Cb 0.12 -1.64 -0.05 0.00 -0.22 0.00 0.00 33.01 31.22 2c3i s GLN 257 CO 0.75 0.22 1.67 0.50 -0.25 0.00 0.00 175.29 178.18 2c3i s ARG 258 N -3.58 4.00 -0.01 2.91 6.06 -1.26 -4.99 118.95 122.09 2c3i s ARG 258 Ca 0.30 2.01 0.03 0.00 -2.50 0.00 0.00 55.73 55.58 2c3i s ARG 258 Cb -0.01 -4.02 -0.01 0.00 0.06 0.00 0.00 34.95 30.97 2c3i s ARG 258 CO 0.15 -1.05 -0.11 0.08 -2.50 0.00 0.00 175.30 171.86 2c3i s VAL 259 N 4.62 0.87 0.78 7.11 1.01 -1.26 -5.03 120.40 128.51 2c3i s VAL 259 Ca 0.74 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 2c3i s VAL 259 Cb -0.31 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2c3i s VAL 259 CO 0.30 0.25 1.13 -1.54 0.00 0.00 0.00 175.10 175.24 2c3i n SER 260 N 2.86 0.90 -0.27 3.32 3.41 -1.26 -4.73 113.62 117.85 2c3i n SER 260 Ca -0.14 0.62 0.05 0.00 -0.26 0.00 0.00 58.87 59.14 2c3i n SER 260 Cb 0.56 -1.48 0.28 0.00 -0.26 0.00 0.00 64.21 63.31 2c3i n SER 260 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2c3i h SER 261 N -0.63 0.82 -0.34 4.04 0.02 -2.01 -0.85 113.55 114.60 2c3i h SER 261 Ca -0.47 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.38 2c3i h SER 261 Cb 1.31 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2c3i h SER 261 CO 0.46 0.52 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.13 2c3i h GLU 262 N 0.93 0.76 -0.27 3.45 3.07 -1.99 -1.17 114.58 119.36 2c3i h GLU 262 Ca 0.37 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 2c3i h GLU 262 Cb 0.25 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2c3i h GLU 262 CO -0.14 0.97 0.01 0.00 -1.40 0.00 0.00 179.01 178.46 2c3i h GLN 264 N 0.26 0.67 -0.37 0.00 4.20 -1.09 -1.51 115.11 117.28 2c3i h GLN 264 Ca 0.08 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2c3i h GLN 264 Cb 0.40 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2c3i h GLN 264 CO 0.01 0.44 0.22 1.25 -0.67 0.00 0.00 178.83 180.09 2c3i h HIS 265 N 0.69 0.48 -0.33 2.96 2.76 -0.98 -0.13 115.15 120.61 2c3i h HIS 265 Ca 0.41 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.57 2c3i h HIS 265 Cb 0.46 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2c3i h HIS 265 CO -0.08 0.34 0.15 1.25 -1.30 0.00 0.00 177.93 178.29 2c3i h LEU 266 N 0.48 0.43 -0.22 0.26 5.85 -0.84 -1.12 115.31 120.15 2c3i h LEU 266 Ca 0.13 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2c3i h LEU 266 Cb -0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2c3i h LEU 266 CO -0.03 0.44 0.15 0.40 -0.34 0.00 0.00 178.44 179.07 2c3i h ILE 267 N 0.39 1.06 -0.10 4.05 2.04 -1.14 -0.99 117.51 122.83 2c3i h ILE 267 Ca 0.11 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2c3i h ILE 267 Cb 0.13 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2c3i h ILE 267 CO -0.01 0.06 -0.05 0.03 0.00 0.00 0.00 178.15 178.17 2c3i h ARG 268 N 0.30 0.14 -0.12 2.37 3.08 -0.72 -0.92 114.38 118.51 2c3i h ARG 268 Ca 0.08 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2c3i h ARG 268 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2c3i h ARG 268 CO -0.02 0.20 -0.26 2.35 -1.07 0.00 0.00 179.97 181.17 2c3i h TRP 269 N 0.14 0.49 -0.33 3.04 7.01 -0.59 -2.87 115.95 122.84 2c3i h TRP 269 Ca 0.03 -0.18 0.02 0.00 2.11 0.00 0.00 58.89 60.87 2c3i h TRP 269 Cb 0.18 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2c3i h TRP 269 CO 0.00 0.88 0.22 0.00 -2.79 0.00 0.00 178.44 176.75 2c3i n LEU 271 N -4.49 5.38 -4.75 0.00 4.77 -0.39 -3.77 117.00 113.75 2c3i n LEU 271 Ca 0.02 -2.81 -0.42 0.00 -0.03 0.00 0.00 56.01 52.78 2c3i n LEU 271 Cb 0.12 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 2c3i n LEU 271 CO 0.35 0.78 1.24 0.00 -1.33 0.00 0.00 177.39 178.42 2c3i s ALA 272 N -2.43 3.75 0.22 -1.18 0.00 -0.95 -4.90 121.76 116.27 2c3i s ALA 272 Ca 0.42 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.83 2c3i s ALA 272 Cb 0.34 -3.64 0.25 0.00 0.00 0.00 0.00 23.12 20.08 2c3i s ALA 272 CO 0.10 -0.93 1.86 -0.07 0.00 0.00 0.00 175.76 176.71 2c3i h LEU 273 N 5.13 0.81 -9.18 0.00 3.38 -1.92 -3.40 115.31 110.13 2c3i h LEU 273 Ca -0.46 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.94 2c3i h LEU 273 Cb 1.22 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2c3i h LEU 273 CO 0.81 0.55 0.43 -0.13 0.09 0.00 0.00 178.44 180.19 2c3i s ARG 274 N -6.10 4.32 0.29 1.13 0.52 -1.26 -4.76 118.95 113.09 2c3i s ARG 274 Ca -0.13 1.09 0.03 0.00 -0.52 0.00 0.00 55.73 56.20 2c3i s ARG 274 Cb 0.17 -3.57 0.64 0.00 0.52 0.00 0.00 34.95 32.71 2c3i s ARG 274 CO 0.78 -0.32 1.78 -1.35 0.02 0.00 0.00 175.30 176.21 2c3i h PRO 275 N 7.28 0.72 0.00 3.54 0.11 -1.97 -1.38 132.00 140.30 2c3i h PRO 275 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2c3i h PRO 275 Cb 1.13 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2c3i h PRO 275 CO 0.84 0.48 0.00 0.66 -0.21 0.00 0.00 178.00 179.77 2c3i h SER 276 N 0.75 0.00 0.54 -2.05 4.64 -1.94 -2.02 113.55 113.47 2c3i h SER 276 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2c3i h SER 276 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2c3i h SER 276 CO -0.36 0.00 -0.13 0.47 -0.87 0.00 0.00 176.83 175.93 2c3i n ASP 277 N -2.47 0.33 -4.82 4.97 8.00 -0.52 -4.91 116.55 117.12 2c3i n ASP 277 Ca 0.01 -0.25 -0.33 0.00 0.71 0.00 0.00 54.79 54.93 2c3i n ASP 277 Cb 0.23 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 2c3i n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2c3i s ARG 278 N -2.68 3.97 0.69 -1.24 0.52 -0.76 -4.85 118.95 114.60 2c3i s ARG 278 Ca 0.23 1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 56.44 2c3i s ARG 278 Cb 0.19 -2.14 0.01 0.00 0.52 0.00 0.00 34.95 33.54 2c3i s ARG 278 CO 0.52 -0.26 1.08 -1.25 0.02 0.00 0.00 175.30 175.41 2c3i s PRO 279 N -3.55 2.75 0.76 3.54 0.04 -1.26 -5.05 135.00 132.24 2c3i s PRO 279 Ca 0.62 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 2c3i s PRO 279 Cb -0.11 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2c3i s PRO 279 CO 0.22 -1.26 1.12 0.95 0.04 0.00 0.00 177.00 178.08 2c3i s THR 280 N -2.68 2.35 0.26 1.26 -4.23 -1.26 -4.89 115.64 106.45 2c3i s THR 280 Ca 0.63 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 2c3i s THR 280 Cb -0.17 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.84 2c3i s THR 280 CO 0.48 -0.11 1.87 -0.26 -0.54 0.00 0.00 174.62 176.06 2c3i h PHE 281 N -0.87 1.16 -0.71 3.99 0.04 -1.97 -1.44 116.94 117.15 2c3i h PHE 281 Ca -0.45 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.37 2c3i h PHE 281 Cb 1.31 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 2c3i h PHE 281 CO 0.35 0.59 0.45 1.49 -0.60 0.00 0.00 178.31 180.60 2c3i h GLU 282 N 1.13 0.87 -0.47 1.51 4.81 -1.98 -1.29 114.58 119.16 2c3i h GLU 282 Ca 0.43 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2c3i h GLU 282 Cb 0.18 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2c3i h GLU 282 CO -0.18 0.58 -0.01 0.93 -0.73 0.00 0.00 179.01 179.60 2c3i h GLU 283 N 0.90 0.79 0.26 1.92 5.08 -1.78 -0.81 114.58 120.95 2c3i h GLU 283 Ca 0.28 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2c3i h GLU 283 Cb -0.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2c3i h GLU 283 CO -0.09 0.81 -0.13 0.82 -1.00 0.00 0.00 179.01 179.42 2c3i h ILE 284 N 0.74 0.77 0.00 3.13 2.04 -0.95 -1.36 117.51 121.88 2c3i h ILE 284 Ca 0.14 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2c3i h ILE 284 Cb 0.46 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2c3i h ILE 284 CO 0.02 0.04 -0.07 1.56 0.00 0.00 0.00 178.15 179.70 2c3i h GLN 285 N -0.44 0.00 -0.01 2.37 4.20 -1.06 -1.06 115.11 119.10 2c3i h GLN 285 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c3i h GLN 285 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2c3i h GLN 285 CO 0.06 0.07 -0.27 0.09 -0.67 0.00 0.00 178.83 178.11 2c3i n ASN 286 N -3.25 1.17 -4.77 1.46 3.02 -0.33 -4.76 115.26 107.80 2c3i n ASN 286 Ca -0.00 -0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 2c3i n ASN 286 Cb 0.30 0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.65 2c3i n ASN 286 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2c3i s HIS 287 N -2.48 2.44 0.49 3.10 2.46 -0.40 -4.91 115.29 115.98 2c3i s HIS 287 Ca 0.24 1.26 0.18 0.00 0.47 0.00 0.00 55.06 57.21 2c3i s HIS 287 Cb 0.19 -3.93 1.21 0.00 -0.13 0.00 0.00 32.58 29.92 2c3i s HIS 287 CO 0.52 -2.98 2.04 -1.00 -2.47 0.00 0.00 174.74 170.85 2c3i h PRO 288 N 2.29 0.16 0.00 2.88 0.13 -1.91 -1.04 132.00 134.51 2c3i h PRO 288 Ca -0.51 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2c3i h PRO 288 Cb 1.27 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2c3i h PRO 288 CO 0.61 0.10 -0.02 2.35 -0.23 0.00 0.00 178.00 180.82 2c3i h TRP 289 N 0.16 0.00 -0.26 1.56 7.01 -1.91 -2.92 115.95 119.60 2c3i h TRP 289 Ca 0.18 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 2c3i h TRP 289 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2c3i h TRP 289 CO -0.00 0.02 0.00 -1.33 -2.79 0.00 0.00 178.44 174.34 2c3i n MET 290 N -3.88 1.86 -2.51 2.65 2.81 -0.39 -4.93 117.12 112.74 2c3i n MET 290 Ca -0.03 -1.31 -0.31 0.00 -1.81 0.00 0.00 57.70 54.24 2c3i n MET 290 Cb 0.10 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 2c3i n MET 290 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2c3i s GLN 291 N -1.67 3.80 -0.96 0.03 -0.21 -1.10 -4.30 119.66 115.25 2c3i s GLN 291 Ca 0.31 0.68 -0.05 0.00 0.02 0.00 0.00 55.36 56.32 2c3i s GLN 291 Cb 0.17 -2.24 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2c3i s GLN 291 CO 0.24 -0.22 0.83 -0.25 -2.12 0.00 0.00 175.29 173.77 2c3i n ASP 292 N -1.71 -4.29 -4.77 5.90 8.00 -1.26 -4.96 116.55 113.45 2c3i n ASP 292 Ca 0.04 -0.41 -0.40 0.00 0.71 0.00 0.00 54.79 54.74 2c3i n ASP 292 Cb 0.54 -3.83 -0.02 0.00 -0.02 0.00 0.00 41.12 37.79 2c3i n ASP 292 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2c3i s VAL 293 N -3.24 2.98 0.61 2.53 0.11 -1.26 -5.01 120.40 117.12 2c3i s VAL 293 Ca 0.31 0.91 -0.18 0.00 -2.93 0.00 0.00 61.98 60.09 2c3i s VAL 293 Cb -0.13 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 2c3i s VAL 293 CO 0.53 0.16 1.15 -0.76 -3.33 0.00 0.00 175.10 172.85 2c3i s LEU 294 N -2.08 3.58 0.58 2.54 1.43 -1.26 -5.05 118.68 118.42 2c3i s LEU 294 Ca 0.52 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.64 2c3i s LEU 294 Cb -0.35 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.25 2c3i s LEU 294 CO 0.45 -1.52 1.07 -0.76 0.23 0.00 0.00 176.35 175.82 2c3i s LEU 295 N -4.30 3.56 0.25 1.79 1.43 -1.26 -4.87 118.68 115.28 2c3i s LEU 295 Ca 0.72 1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 55.67 2c3i s LEU 295 Cb -0.25 -4.54 0.41 0.00 0.03 0.00 0.00 46.19 41.84 2c3i s LEU 295 CO 0.34 -1.16 1.82 -0.65 0.23 0.00 0.00 176.35 176.93 2c3i h PRO 296 N 0.63 0.81 -0.69 1.29 0.11 -1.85 -1.27 132.00 131.03 2c3i h PRO 296 Ca -0.47 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2c3i h PRO 296 Cb 1.23 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2c3i h PRO 296 CO 0.57 0.54 0.45 1.96 -0.21 0.00 0.00 178.00 181.31 2c3i h GLN 297 N 0.83 0.91 -0.79 1.05 1.08 -1.85 -0.01 115.11 116.33 2c3i h GLN 297 Ca 0.41 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2c3i h GLN 297 Cb 0.36 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 2c3i h GLN 297 CO -0.24 0.60 0.51 0.93 -0.95 0.00 0.00 178.83 179.68 2c3i h GLU 298 N 0.93 1.06 -0.52 1.46 5.08 -1.84 -1.02 114.58 119.73 2c3i h GLU 298 Ca 0.25 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2c3i h GLU 298 Cb -0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.89 2c3i h GLU 298 CO -0.05 0.72 0.21 1.15 -1.00 0.00 0.00 179.01 180.04 2c3i h THR 299 N 1.08 1.22 -0.37 1.13 2.02 -0.71 -0.27 112.91 117.01 2c3i h THR 299 Ca 0.29 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 2c3i h THR 299 Cb -0.09 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2c3i h THR 299 CO -0.06 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.21 2c3i h ALA 300 N 1.06 0.48 0.09 6.16 0.00 -0.76 0.25 119.26 126.54 2c3i h ALA 300 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2c3i h ALA 300 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c3i h ALA 300 CO -0.01 0.11 -0.04 0.93 0.00 0.00 0.00 179.25 180.23 2c3i h GLU 301 N 0.44 -0.12 -0.31 0.00 5.08 -0.81 0.41 114.58 119.28 2c3i h GLU 301 Ca 0.12 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 2c3i h GLU 301 Cb 0.23 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2c3i h GLU 301 CO -0.01 0.03 -0.50 0.82 -1.00 0.00 0.00 179.01 178.36 2c3i h ILE 302 N -0.24 1.28 0.00 3.13 2.04 -1.09 -3.37 117.51 119.25 2c3i h ILE 302 Ca -0.01 -1.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 2c3i h ILE 302 Cb 0.20 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2c3i h ILE 302 CO 0.02 0.55 -1.23 1.41 0.00 0.00 0.00 178.15 178.90 2c3i n HIS 303 N -4.02 0.00 -0.06 1.37 8.25 0.07 -4.82 115.22 116.01 2c3i n HIS 303 Ca -0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 2c3i n HIS 303 Cb 0.60 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 2c3i n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2c3i n LEU 304 N -1.79 2.17 -0.00 2.41 4.77 0.49 -5.01 117.00 120.04 2c3i n LEU 304 Ca -0.02 -0.05 0.16 0.00 -0.03 0.00 0.00 56.01 56.06 2c3i n LEU 304 Cb 0.26 -0.27 0.95 0.00 -2.33 0.00 0.00 43.42 42.03 2c3i n LEU 304 CO 0.09 0.60 1.11 1.41 -1.33 0.00 0.00 177.39 179.27