#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngg s GLY 4 N 0.00 -0.18 0.10 3.14 0.00 -1.26 -5.03 107.32 104.10 1ngg s GLY 4 Ca 0.00 0.89 -0.31 0.00 0.00 0.00 0.00 44.72 45.30 1ngg s GLY 4 CO 0.00 0.95 1.78 -4.14 0.00 0.00 0.00 173.10 171.69 1ngg s PRO 5 N 0.69 4.16 0.39 2.90 0.02 -1.26 -4.80 135.00 137.09 1ngg s PRO 5 Ca -0.05 2.51 -0.25 0.00 0.02 0.00 0.00 61.00 63.24 1ngg s PRO 5 Cb -0.06 -3.61 -0.09 0.00 0.02 0.00 0.00 34.50 30.76 1ngg s PRO 5 CO -0.04 -0.81 1.09 0.00 -0.33 0.00 0.00 177.00 176.90 1ngg s ALA 6 N 2.75 3.14 0.35 -1.55 0.00 -1.26 -4.65 121.76 120.54 1ngg s ALA 6 Ca 0.79 0.80 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1ngg s ALA 6 Cb -0.44 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1ngg s ALA 6 CO 0.35 -0.30 0.10 0.14 0.00 0.00 0.00 175.76 176.06 1ngg s VAL 7 N -1.53 2.83 -0.14 0.00 -7.23 -0.69 -4.59 120.40 109.06 1ngg s VAL 7 Ca 0.56 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1ngg s VAL 7 Cb -0.26 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 1ngg s VAL 7 CO 0.32 -0.17 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.95 1ngg s GLY 8 N -3.81 1.47 -0.06 2.32 0.00 -0.04 -1.22 107.32 105.99 1ngg s GLY 8 Ca 0.37 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1ngg s GLY 8 CO 0.21 -0.08 -0.11 -0.42 0.00 0.00 0.00 173.10 172.70 1ngg s ILE 9 N 0.62 1.06 -0.16 0.90 1.01 -0.11 -1.26 121.20 123.26 1ngg s ILE 9 Ca -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1ngg s ILE 9 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1ngg s ILE 9 CO 0.03 0.34 -0.01 -0.94 0.00 0.00 0.00 174.94 174.35 1ngg s SER 10 N 0.66 5.02 -0.45 3.58 1.04 -0.63 -1.94 113.70 120.97 1ngg s SER 10 Ca -0.14 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.20 1ngg s SER 10 Cb -0.15 -1.83 0.12 0.00 0.10 0.00 0.00 66.02 64.25 1ngg s SER 10 CO 0.03 0.17 0.24 -0.22 0.98 0.00 0.00 173.24 174.44 1ngg s LEU 11 N 0.38 5.18 0.39 2.42 2.96 -1.26 -1.50 118.68 127.25 1ngg s LEU 11 Ca -0.02 -2.22 0.03 0.00 -0.22 0.00 0.00 54.13 51.69 1ngg s LEU 11 Cb -0.14 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1ngg s LEU 11 CO 0.02 -0.49 0.57 -0.83 -1.32 0.00 0.00 176.35 174.31 1ngg s GLY 12 N 1.48 1.53 0.48 7.98 0.00 0.12 -4.95 107.32 113.95 1ngg s GLY 12 Ca 0.10 -1.18 0.17 0.00 0.00 0.00 0.00 44.72 43.82 1ngg s GLY 12 CO -0.04 -1.06 2.03 -0.84 0.00 0.00 0.00 173.10 173.19 1ngg h THR 13 N 0.64 0.89 0.00 0.90 2.02 -1.98 -3.27 112.91 112.10 1ngg h THR 13 Ca -0.47 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1ngg h THR 13 Cb 1.25 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1ngg h THR 13 CO 0.57 0.04 -1.02 0.35 0.37 0.00 0.00 175.52 175.82 1ngg n THR 14 N -4.46 0.01 -4.05 3.16 -2.24 -1.26 -4.05 114.28 101.40 1ngg n THR 14 Ca 0.06 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.76 1ngg n THR 14 Cb 0.36 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 1ngg n THR 14 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ngg s TYR 15 N -2.02 0.45 0.14 4.78 2.02 -1.24 -1.77 117.35 119.72 1ngg s TYR 15 Ca -0.00 -0.96 0.05 0.00 -0.37 0.00 0.00 57.07 55.79 1ngg s TYR 15 Cb 0.00 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1ngg s TYR 15 CO 0.01 -0.38 -0.11 -1.12 -1.57 0.00 0.00 175.55 172.38 1ngg s SER 16 N -2.78 1.85 -0.05 2.29 0.01 0.14 0.12 113.70 115.28 1ngg s SER 16 Ca 0.05 -0.96 -0.13 0.00 1.31 0.00 0.00 55.95 56.22 1ngg s SER 16 Cb 0.06 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1ngg s SER 16 CO -0.09 -0.28 0.30 0.00 0.41 0.00 0.00 173.24 173.58 1ngg s VAL 18 N -0.87 0.90 0.14 0.00 0.11 -1.26 -1.61 120.40 117.81 1ngg s VAL 18 Ca -0.09 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1ngg s VAL 18 Cb -0.04 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1ngg s VAL 18 CO 0.03 0.29 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.23 1ngg s GLY 19 N 0.41 1.00 -0.01 6.54 0.00 -0.39 -1.01 107.32 113.86 1ngg s GLY 19 Ca -0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.15 1ngg s GLY 19 CO 0.01 -1.48 0.05 0.54 0.00 0.00 0.00 173.10 172.22 1ngg s VAL 20 N -3.67 0.02 -0.32 1.40 0.11 0.25 -0.86 120.40 117.32 1ngg s VAL 20 Ca 0.19 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1ngg s VAL 20 Cb 0.06 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.75 1ngg s VAL 20 CO -0.00 -0.11 0.35 0.12 -3.33 0.00 0.00 175.10 172.14 1ngg s PHE 21 N -0.31 3.22 -0.01 1.54 5.36 -1.26 -0.12 117.98 126.39 1ngg s PHE 21 Ca -0.04 0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 56.01 1ngg s PHE 21 Cb -0.02 -2.64 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 1ngg s PHE 21 CO 0.00 -0.37 0.02 -0.65 -1.46 0.00 0.00 175.22 172.76 1ngg s GLN 22 N 2.02 0.00 -1.39 10.12 -0.21 0.31 -4.89 119.66 125.63 1ngg s GLN 22 Ca 0.12 0.08 -0.00 0.00 0.02 0.00 0.00 55.36 55.59 1ngg s GLN 22 Cb -0.16 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.77 1ngg s GLN 22 CO 0.11 -0.06 0.46 0.72 -2.12 0.00 0.00 175.29 174.41 1ngg n HIS 23 N 3.44 -1.69 0.00 0.91 8.25 -1.26 -1.35 115.22 123.52 1ngg n HIS 23 Ca -0.17 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1ngg n HIS 23 Cb 0.57 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.83 1ngg n HIS 23 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ngg n GLY 24 N -1.92 1.58 3.56 -1.41 0.00 -1.26 -4.96 105.19 100.79 1ngg n GLY 24 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1ngg n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngg s LYS 25 N 0.00 2.40 -0.28 1.61 1.02 -0.46 -5.10 119.74 118.93 1ngg s LYS 25 Ca 0.00 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.05 1ngg s LYS 25 Cb 0.00 -2.41 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1ngg s LYS 25 CO 0.00 0.58 0.24 0.08 -0.92 0.00 0.00 175.35 175.33 1ngg s VAL 26 N -1.01 5.27 -0.18 3.17 1.01 -1.26 -0.53 120.40 126.88 1ngg s VAL 26 Ca 0.17 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1ngg s VAL 26 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ngg s VAL 26 CO 0.08 0.21 0.09 -1.61 0.00 0.00 0.00 175.10 173.87 1ngg s GLU 27 N 1.84 4.00 -0.30 2.72 2.02 0.83 -4.91 118.70 124.89 1ngg s GLU 27 Ca 0.09 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.62 1ngg s GLU 27 Cb -0.16 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1ngg s GLU 27 CO 0.11 0.33 0.46 0.42 0.02 0.00 0.00 175.26 176.60 1ngg s ILE 28 N 0.24 5.09 0.01 -1.63 -1.09 -1.26 -0.59 121.20 121.97 1ngg s ILE 28 Ca 0.06 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 58.75 1ngg s ILE 28 Cb -0.12 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1ngg s ILE 28 CO -0.00 0.00 1.02 -0.63 -1.23 0.00 0.00 174.94 174.10 1ngg s ILE 29 N 2.25 4.71 0.09 2.92 1.01 -0.18 -4.99 121.20 127.00 1ngg s ILE 29 Ca 0.18 1.94 -0.14 0.00 0.00 0.00 0.00 60.65 62.63 1ngg s ILE 29 Cb -0.16 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1ngg s ILE 29 CO 0.11 0.15 0.49 0.00 0.00 0.00 0.00 174.94 175.68 1ngg s ALA 30 N 1.03 3.64 1.00 9.38 0.00 -1.26 -4.62 121.76 130.93 1ngg s ALA 30 Ca 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 1ngg s ALA 30 Cb -0.23 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.48 1ngg s ALA 30 CO 0.28 0.48 0.20 0.27 0.00 0.00 0.00 175.76 176.99 1ngg n ASN 31 N 1.21 -0.08 -0.33 0.00 0.23 0.10 -4.81 115.26 111.57 1ngg n ASN 31 Ca -0.09 -1.04 0.06 0.00 -0.53 0.00 0.00 54.58 52.98 1ngg n ASN 31 Cb 0.52 -0.16 0.22 0.00 -2.08 0.00 0.00 39.78 38.28 1ngg n ASN 31 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ngg h ASP 32 N -0.35 0.82 0.16 0.53 3.32 -1.98 0.32 116.42 119.23 1ngg h ASP 32 Ca -0.07 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ngg h ASP 32 Cb 0.18 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ngg h ASP 32 CO 0.05 0.44 -0.02 0.00 -1.72 0.00 0.00 179.24 177.98 1ngg n GLN 33 N -4.68 0.94 -0.83 3.56 3.00 -1.26 -4.90 117.38 113.22 1ngg n GLN 33 Ca 0.17 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ngg n GLN 33 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.08 1ngg n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ngg n GLY 34 N 1.12 0.55 3.83 1.08 0.00 0.11 -5.05 105.19 106.84 1ngg n GLY 34 Ca 0.20 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1ngg n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ngg s ASN 35 N -2.26 6.95 0.00 1.61 -0.87 -1.26 -4.69 114.94 114.42 1ngg s ASN 35 Ca 0.00 1.23 0.28 0.00 -1.57 0.00 0.00 52.86 52.80 1ngg s ASN 35 Cb 0.00 -2.35 1.12 0.00 -0.02 0.00 0.00 41.25 40.00 1ngg s ASN 35 CO 0.00 0.10 1.81 0.54 -2.57 0.00 0.00 177.10 176.99 1ngg n ARG 36 N 0.91 0.37 -4.16 -0.60 1.74 -1.26 -0.72 116.66 112.94 1ngg n ARG 36 Ca -0.05 -0.11 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 1ngg n ARG 36 Cb 0.51 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 1ngg n ARG 36 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ngg s THR 37 N -2.71 0.71 -0.07 0.55 -4.23 -1.26 -4.57 115.64 104.06 1ngg s THR 37 Ca 0.22 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1ngg s THR 37 Cb 0.19 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 1ngg s THR 37 CO 0.53 -0.18 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.30 1ngg s THR 38 N -1.00 1.96 0.55 3.99 2.01 0.22 -4.93 115.64 118.44 1ngg s THR 38 Ca -0.04 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.74 1ngg s THR 38 Cb -0.08 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1ngg s THR 38 CO 0.01 0.54 1.37 -2.84 -0.69 0.00 0.00 174.62 173.01 1ngg s PRO 39 N 0.03 3.10 -0.88 4.92 0.02 -1.26 0.24 135.00 141.18 1ngg s PRO 39 Ca -0.08 2.26 -0.05 0.00 0.02 0.00 0.00 61.00 63.15 1ngg s PRO 39 Cb -0.15 -2.25 0.06 0.00 0.02 0.00 0.00 34.50 32.18 1ngg s PRO 39 CO 0.05 -1.23 2.67 0.43 -0.33 0.00 0.00 177.00 178.60 1ngg n SER 40 N -1.06 7.22 -4.48 2.53 7.64 -0.73 -4.20 113.62 120.54 1ngg n SER 40 Ca 0.11 -3.09 -0.32 0.00 1.01 0.00 0.00 58.87 56.57 1ngg n SER 40 Cb 0.45 -1.32 -0.13 0.00 -1.01 0.00 0.00 64.21 62.20 1ngg n SER 40 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ngg s TYR 41 N -1.06 2.69 -0.04 1.43 1.51 -1.26 -4.53 117.35 116.08 1ngg s TYR 41 Ca 0.58 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.49 1ngg s TYR 41 Cb 0.28 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1ngg s TYR 41 CO -0.14 0.22 -0.09 0.08 -1.11 0.00 0.00 175.55 174.51 1ngg s VAL 42 N -0.81 0.84 0.03 0.71 1.01 -0.76 -0.79 120.40 120.64 1ngg s VAL 42 Ca 0.13 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1ngg s VAL 42 Cb -0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1ngg s VAL 42 CO 0.02 0.28 -0.14 0.00 0.00 0.00 0.00 175.10 175.27 1ngg s ALA 43 N 0.56 1.14 -0.10 5.51 0.00 0.99 0.07 121.76 129.93 1ngg s ALA 43 Ca -0.10 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1ngg s ALA 43 Cb -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1ngg s ALA 43 CO 0.02 0.22 -0.18 -0.06 0.00 0.00 0.00 175.76 175.75 1ngg s PHE 44 N -0.80 2.17 0.00 0.00 0.08 -0.60 0.04 117.98 118.87 1ngg s PHE 44 Ca 0.02 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1ngg s PHE 44 Cb -0.08 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 1ngg s PHE 44 CO 0.01 -0.45 0.00 0.25 -0.10 0.00 0.00 175.22 174.93 1ngg n THR 45 N 3.91 0.00 -0.19 0.64 -2.24 0.17 -4.79 114.28 111.78 1ngg n THR 45 Ca -0.20 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1ngg n THR 45 Cb 0.52 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1ngg n THR 45 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ngg h ASP 46 N 0.00 0.92 0.00 3.42 3.32 -1.95 -1.72 116.42 120.41 1ngg h ASP 46 Ca 0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1ngg h ASP 46 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1ngg h ASP 46 CO 0.00 0.99 -1.75 0.35 -1.72 0.00 0.00 179.24 177.10 1ngg n THR 47 N -4.29 0.12 -4.08 0.35 -2.24 -1.26 -3.67 114.28 99.21 1ngg n THR 47 Ca 0.02 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1ngg n THR 47 Cb 0.31 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 1ngg n THR 47 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ngg s GLU 48 N -3.01 1.40 -0.34 -0.78 -1.05 -1.26 -5.04 118.70 108.62 1ngg s GLU 48 Ca -0.06 -1.39 -0.02 0.00 -0.15 0.00 0.00 54.97 53.34 1ngg s GLU 48 Cb 0.09 0.39 0.07 0.00 -0.44 0.00 0.00 34.13 34.25 1ngg s GLU 48 CO 0.65 -0.54 0.08 0.50 0.95 0.00 0.00 175.26 176.90 1ngg s ARG 49 N -4.07 2.27 -0.15 -4.83 3.52 -1.26 -0.66 118.95 113.77 1ngg s ARG 49 Ca 0.29 -1.47 -0.14 0.00 -0.13 0.00 0.00 55.73 54.28 1ngg s ARG 49 Cb 0.02 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1ngg s ARG 49 CO 0.10 -0.79 0.31 -0.51 -0.81 0.00 0.00 175.30 173.60 1ngg s LEU 50 N 1.22 4.25 -0.02 -0.88 1.02 0.11 -4.96 118.68 119.42 1ngg s LEU 50 Ca 0.00 0.54 0.06 0.00 0.02 0.00 0.00 54.13 54.76 1ngg s LEU 50 Cb -0.21 -2.41 -0.02 0.00 0.02 0.00 0.00 46.19 43.58 1ngg s LEU 50 CO -0.02 0.09 -0.20 -0.63 0.02 0.00 0.00 176.35 175.61 1ngg s ILE 51 N 0.46 1.61 0.00 -0.59 1.01 -1.26 -0.01 121.20 122.42 1ngg s ILE 51 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1ngg s ILE 51 Cb -0.13 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1ngg s ILE 51 CO 0.05 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1ngg n GLY 52 N 2.58 0.63 0.35 6.18 0.00 0.03 -3.80 105.19 111.17 1ngg n GLY 52 Ca -0.15 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.22 1ngg n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ngg h ASP 53 N 2.53 0.67 -0.22 1.61 3.32 -1.89 -1.23 116.42 121.21 1ngg h ASP 53 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1ngg h ASP 53 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1ngg h ASP 53 CO 0.00 0.44 -0.09 0.00 -1.72 0.00 0.00 179.24 177.87 1ngg h ALA 54 N 1.61 1.20 0.04 3.45 0.00 -1.95 -1.39 119.26 122.23 1ngg h ALA 54 Ca 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ngg h ALA 54 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ngg h ALA 54 CO -0.09 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 1ngg h ALA 55 N 1.36 -0.06 -0.23 0.00 0.00 -1.44 -3.26 119.26 115.64 1ngg h ALA 55 Ca 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1ngg h ALA 55 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ngg h ALA 55 CO 0.03 -0.23 -0.05 -0.22 0.00 0.00 0.00 179.25 178.77 1ngg h LYS 56 N -0.66 0.35 0.00 0.00 3.64 -1.31 -2.55 116.57 116.04 1ngg h LYS 56 Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1ngg h LYS 56 Cb 0.58 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ngg h LYS 56 CO 0.01 0.43 0.00 0.09 -2.27 0.00 0.00 179.45 177.71 1ngg n ASN 57 N -4.30 0.00 -0.09 4.20 3.02 -0.53 -2.79 115.26 114.77 1ngg n ASN 57 Ca 0.00 0.08 0.03 0.00 -0.03 0.00 0.00 54.58 54.66 1ngg n ASN 57 Cb 0.24 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 1ngg n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ngg n GLN 58 N -1.29 1.50 -0.06 3.52 -0.00 -0.97 -4.83 117.38 115.26 1ngg n GLN 58 Ca 0.07 -1.53 0.11 0.00 -0.00 0.00 0.00 57.00 55.66 1ngg n GLN 58 Cb 0.12 -0.97 0.51 0.00 -0.00 0.00 0.00 30.24 29.90 1ngg n GLN 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1ngg h VAL 59 N 1.59 0.91 -0.05 -0.39 3.04 -1.47 -1.13 116.25 118.75 1ngg h VAL 59 Ca 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 66.70 65.51 1ngg h VAL 59 Cb 0.87 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 1ngg h VAL 59 CO 0.00 0.07 -0.16 0.00 -1.01 0.00 0.00 177.57 176.47 1ngg h ALA 60 N 1.71 1.64 0.05 3.17 0.00 -1.88 -2.86 119.26 121.09 1ngg h ALA 60 Ca 0.25 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 1ngg h ALA 60 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ngg h ALA 60 CO -0.07 0.27 -1.40 0.52 0.00 0.00 0.00 179.25 178.58 1ngg h MET 61 N 0.08 0.11 -1.78 0.00 2.07 -1.60 -3.42 114.93 110.39 1ngg h MET 61 Ca 0.01 -0.19 -0.51 0.00 -2.07 0.00 0.00 59.70 56.94 1ngg h MET 61 Cb 0.34 0.07 -0.41 0.00 -1.87 0.00 0.00 31.60 29.73 1ngg h MET 61 CO 0.02 0.93 -0.92 -1.71 1.07 0.00 0.00 176.91 176.30 1ngg n ASN 62 N -3.32 2.96 -0.24 1.22 5.15 -1.01 -4.93 115.26 115.09 1ngg n ASN 62 Ca -0.11 -3.32 0.04 0.00 -0.60 0.00 0.00 54.58 50.59 1ngg n ASN 62 Cb 1.01 -0.55 0.16 0.00 -0.53 0.00 0.00 39.78 39.88 1ngg n ASN 62 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ngg h PRO 63 N 2.90 0.25 0.00 1.20 0.13 -1.76 -1.15 132.00 133.57 1ngg h PRO 63 Ca 0.11 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1ngg h PRO 63 Cb 0.86 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1ngg h PRO 63 CO 0.68 0.17 -0.22 1.79 -0.23 0.00 0.00 178.00 180.19 1ngg h THR 64 N 0.26 0.59 -0.28 1.56 1.35 -1.91 -3.16 112.91 111.31 1ngg h THR 64 Ca 0.39 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1ngg h THR 64 Cb 0.65 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1ngg h THR 64 CO -0.49 0.21 0.00 0.59 -0.25 0.00 0.00 175.52 175.58 1ngg n ASN 65 N -3.46 3.13 -4.27 5.36 3.02 -0.53 -4.55 115.26 113.96 1ngg n ASN 65 Ca -0.00 -2.34 -0.36 0.00 -0.03 0.00 0.00 54.58 51.84 1ngg n ASN 65 Cb 0.39 -0.32 -0.13 0.00 -0.61 0.00 0.00 39.78 39.12 1ngg n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ngg s THR 66 N -1.62 3.51 -0.06 3.41 2.01 -0.62 -1.55 115.64 120.72 1ngg s THR 66 Ca 0.27 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1ngg s THR 66 Cb 0.18 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1ngg s THR 66 CO 0.12 0.05 0.16 -0.69 -0.69 0.00 0.00 174.62 173.57 1ngg s VAL 67 N 1.41 5.45 0.24 3.82 1.01 0.11 -4.78 120.40 127.66 1ngg s VAL 67 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1ngg s VAL 67 Cb -0.18 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1ngg s VAL 67 CO 0.00 0.47 0.38 2.22 0.00 0.00 0.00 175.10 178.17 1ngg n PHE 68 N 1.44 -1.34 -2.04 5.22 1.16 -1.26 -1.83 117.46 118.82 1ngg n PHE 68 Ca -0.15 -1.44 -0.15 0.00 -1.87 0.00 0.00 57.45 53.84 1ngg n PHE 68 Cb 0.54 0.43 -0.03 0.00 -1.61 0.00 0.00 39.48 38.81 1ngg n PHE 68 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1ngg n ASP 69 N -1.66 -4.28 0.29 5.98 9.92 -1.26 -4.83 116.55 120.72 1ngg n ASP 69 Ca -0.01 0.22 0.15 0.00 -0.53 0.00 0.00 54.79 54.62 1ngg n ASP 69 Cb 0.39 -3.73 0.88 0.00 -0.64 0.00 0.00 41.12 38.02 1ngg n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ngg h ALA 70 N 0.84 1.49 0.00 2.24 0.00 -1.88 0.86 119.26 122.80 1ngg h ALA 70 Ca -0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1ngg h ALA 70 Cb 1.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ngg h ALA 70 CO 0.43 0.03 -0.16 -0.22 0.00 0.00 0.00 179.25 179.33 1ngg h LYS 71 N 0.00 0.00 0.00 0.00 3.64 -1.88 -0.58 116.57 117.74 1ngg h LYS 71 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ngg h LYS 71 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ngg h LYS 71 CO 0.00 0.16 0.00 0.54 -2.27 0.00 0.00 179.45 177.88 1ngg n ARG 72 N -3.66 0.21 -0.13 1.90 1.74 0.29 -4.02 116.66 113.00 1ngg n ARG 72 Ca -0.02 0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 57.04 1ngg n ARG 72 Cb 0.28 -1.75 -0.11 0.00 -1.02 0.00 0.00 32.46 29.86 1ngg n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ngg n LEU 73 N -2.12 2.66 -4.45 0.55 7.99 -0.60 -4.83 117.00 116.20 1ngg n LEU 73 Ca 0.06 -0.00 -0.59 0.00 -0.01 0.00 0.00 56.01 55.46 1ngg n LEU 73 Cb 0.41 -0.84 -0.08 0.00 -0.11 0.00 0.00 43.42 42.80 1ngg n LEU 73 CO 0.29 0.81 0.63 0.00 -1.51 0.00 0.00 177.39 177.61 1ngg n ILE 74 N -3.50 0.00 -0.93 -0.08 3.06 -0.33 -1.49 119.36 116.10 1ngg n ILE 74 Ca -0.46 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 59.79 1ngg n ILE 74 Cb 0.94 -0.06 0.00 0.00 0.54 0.00 0.00 39.64 41.06 1ngg n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ngg n GLY 75 N 1.76 0.36 3.94 4.50 0.00 -1.26 -4.67 105.19 109.82 1ngg n GLY 75 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1ngg n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ngg s ARG 76 N -0.76 2.23 0.39 1.61 0.52 -0.55 -4.20 118.95 118.19 1ngg s ARG 76 Ca 0.00 -2.00 0.08 0.00 -0.52 0.00 0.00 55.73 53.29 1ngg s ARG 76 Cb 0.00 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1ngg s ARG 76 CO 0.00 -0.73 0.15 1.03 0.02 0.00 0.00 175.30 175.76 1ngg s ARG 77 N -4.39 2.24 0.08 3.54 0.52 -1.26 -4.49 118.95 115.19 1ngg s ARG 77 Ca 0.38 -1.76 -0.16 0.00 -0.52 0.00 0.00 55.73 53.67 1ngg s ARG 77 Cb -0.03 -2.02 -0.10 0.00 0.52 0.00 0.00 34.95 33.32 1ngg s ARG 77 CO 0.24 -0.03 1.40 0.35 0.02 0.00 0.00 175.30 177.28 1ngg h PHE 78 N 1.51 0.75 0.00 -0.53 3.57 -1.01 -2.94 116.94 118.29 1ngg h PHE 78 Ca -0.43 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 60.84 1ngg h PHE 78 Cb 1.25 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1ngg h PHE 78 CO 0.64 0.95 0.00 -0.40 -2.23 0.00 0.00 178.31 177.27 1ngg n ASP 79 N -4.32 0.00 -4.67 0.41 5.75 -1.26 -4.27 116.55 108.19 1ngg n ASP 79 Ca -0.04 -0.76 -0.42 0.00 -0.01 0.00 0.00 54.79 53.55 1ngg n ASP 79 Cb 0.45 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.52 1ngg n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ngg s ASP 80 N -1.84 6.77 0.29 -1.12 -1.08 -1.11 -4.90 116.67 113.69 1ngg s ASP 80 Ca 0.22 2.09 0.03 0.00 -0.52 0.00 0.00 52.55 54.37 1ngg s ASP 80 Cb 0.10 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.77 1ngg s ASP 80 CO 0.17 -0.83 1.64 0.00 0.52 0.00 0.00 175.17 176.67 1ngg h ALA 81 N 8.75 1.34 0.02 3.66 0.00 -1.90 0.12 119.26 131.25 1ngg h ALA 81 Ca -0.36 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ngg h ALA 81 Cb 1.16 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1ngg h ALA 81 CO 0.94 -0.48 -0.14 0.28 0.00 0.00 0.00 179.25 179.85 1ngg h VAL 82 N 0.21 0.66 -0.27 0.00 2.07 -1.95 -0.08 116.25 116.89 1ngg h VAL 82 Ca 0.57 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.11 1ngg h VAL 82 Cb 1.18 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1ngg h VAL 82 CO -0.66 0.00 0.12 0.58 0.02 0.00 0.00 177.57 177.63 1ngg h VAL 83 N -0.25 0.98 -0.61 2.57 2.07 -1.16 0.52 116.25 120.37 1ngg h VAL 83 Ca 0.04 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1ngg h VAL 83 Cb 0.30 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1ngg h VAL 83 CO -0.13 0.05 0.41 1.56 0.02 0.00 0.00 177.57 179.48 1ngg h GLN 84 N 0.26 0.46 0.00 1.57 1.08 -0.37 -0.87 115.11 117.24 1ngg h GLN 84 Ca 0.11 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1ngg h GLN 84 Cb 0.05 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1ngg h GLN 84 CO -0.09 0.31 -0.00 0.77 -0.95 0.00 0.00 178.83 178.87 1ngg h SER 85 N 0.48 -0.00 -0.69 1.46 0.02 -0.21 -3.36 113.55 111.24 1ngg h SER 85 Ca 0.28 -0.88 0.06 0.00 -0.84 0.00 0.00 61.79 60.41 1ngg h SER 85 Cb 0.46 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1ngg h SER 85 CO -0.08 0.90 0.39 0.44 -1.14 0.00 0.00 176.83 177.34 1ngg h ASP 86 N -0.95 0.58 -1.08 3.07 3.32 -0.62 -2.62 116.42 118.13 1ngg h ASP 86 Ca -0.00 0.03 0.34 0.00 0.02 0.00 0.00 57.03 57.42 1ngg h ASP 86 Cb 0.88 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.21 1ngg h ASP 86 CO 0.00 0.37 0.64 0.24 -1.72 0.00 0.00 179.24 178.78 1ngg h MET 87 N 0.71 0.26 0.00 3.56 2.86 -1.31 -0.13 114.93 120.87 1ngg h MET 87 Ca 0.31 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1ngg h MET 87 Cb 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ngg h MET 87 CO -0.18 0.17 0.06 0.87 1.06 0.00 0.00 176.91 178.89 1ngg h LYS 88 N 0.27 0.00 0.00 1.72 6.56 -1.64 -2.84 116.57 120.64 1ngg h LYS 88 Ca 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.33 1ngg h LYS 88 Cb 1.88 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.54 1ngg h LYS 88 CO -0.53 0.00 -0.34 0.72 -2.06 0.00 0.00 179.45 177.24 1ngg n HIS 89 N -2.46 0.00 -2.80 -1.35 8.25 -0.06 -5.00 115.22 111.79 1ngg n HIS 89 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1ngg n HIS 89 Cb 0.10 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 1ngg n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ngg s TRP 90 N -1.66 3.75 -2.00 4.41 0.51 -1.07 -4.93 118.94 117.94 1ngg s TRP 90 Ca 0.02 1.67 0.09 0.00 -2.12 0.00 0.00 56.10 55.76 1ngg s TRP 90 Cb 0.05 -3.00 0.51 0.00 -0.81 0.00 0.00 33.47 30.22 1ngg s TRP 90 CO 0.28 0.16 1.33 -0.35 -0.51 0.00 0.00 176.95 177.86 1ngg n PRO 91 N 3.11 1.00 -4.35 4.98 -0.04 -1.26 -4.80 135.00 133.63 1ngg n PRO 91 Ca 0.02 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 1ngg n PRO 91 Cb 0.50 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.74 1ngg n PRO 91 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ngg s PHE 92 N -2.00 2.54 0.03 0.54 -0.12 -1.26 -3.76 117.98 113.95 1ngg s PHE 92 Ca 0.13 -0.35 -0.23 0.00 -0.05 0.00 0.00 56.93 56.43 1ngg s PHE 92 Cb 0.06 -1.30 -0.06 0.00 -0.63 0.00 0.00 43.02 41.09 1ngg s PHE 92 CO 0.10 0.57 0.69 -1.64 -0.05 0.00 0.00 175.22 174.89 1ngg s MET 93 N -3.66 4.42 -0.15 1.99 -1.94 -1.24 -4.99 119.30 113.72 1ngg s MET 93 Ca 0.33 0.92 0.01 0.00 -1.71 0.00 0.00 55.69 55.24 1ngg s MET 93 Cb -0.03 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.48 1ngg s MET 93 CO 0.19 0.33 -0.17 0.08 -0.01 0.00 0.00 175.02 175.44 1ngg s VAL 94 N -0.16 1.79 0.32 -6.03 1.01 -1.26 -0.03 120.40 116.04 1ngg s VAL 94 Ca 0.35 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1ngg s VAL 94 Cb -0.20 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1ngg s VAL 94 CO 0.20 0.50 -0.04 0.68 0.00 0.00 0.00 175.10 176.44 1ngg s VAL 95 N 1.21 2.64 -0.13 2.92 -7.23 0.75 -4.89 120.40 115.66 1ngg s VAL 95 Ca 0.01 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1ngg s VAL 95 Cb -0.14 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1ngg s VAL 95 CO -0.08 -0.25 0.29 0.21 -0.31 0.00 0.00 175.10 174.96 1ngg s ASN 96 N -3.66 6.49 -0.45 4.85 3.84 -1.26 -0.80 114.94 123.94 1ngg s ASN 96 Ca 0.33 0.57 0.02 0.00 0.21 0.00 0.00 52.86 54.00 1ngg s ASN 96 Cb -0.01 -2.17 0.15 0.00 -0.55 0.00 0.00 41.25 38.66 1ngg s ASN 96 CO 0.18 0.19 0.28 -0.62 -2.79 0.00 0.00 177.10 174.34 1ngg s ASP 97 N -0.04 3.24 -1.32 -4.21 -1.08 0.91 -4.83 116.67 109.34 1ngg s ASP 97 Ca 0.17 -2.78 -0.05 0.00 -0.52 0.00 0.00 52.55 49.37 1ngg s ASP 97 Cb -0.13 -0.88 0.02 0.00 -1.46 0.00 0.00 42.92 40.47 1ngg s ASP 97 CO 0.05 -0.23 1.04 0.00 0.52 0.00 0.00 175.17 176.55 1ngg n ALA 98 N 3.31 -1.63 0.00 3.66 0.00 -1.26 -2.14 120.51 122.45 1ngg n ALA 98 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ngg n ALA 98 Cb 0.38 -3.91 0.00 0.00 0.00 0.00 0.00 19.45 15.91 1ngg n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ngg n GLY 99 N -1.62 2.90 3.81 0.00 0.00 -1.26 -5.04 105.19 103.99 1ngg n GLY 99 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1ngg n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ngg s ARG 100 N -0.06 4.21 0.38 1.61 0.52 -0.91 -0.42 118.95 124.28 1ngg s ARG 100 Ca 0.00 0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 55.79 1ngg s ARG 100 Cb 0.00 -3.13 -0.10 0.00 0.52 0.00 0.00 34.95 32.24 1ngg s ARG 100 CO 0.00 0.57 0.84 -1.25 0.02 0.00 0.00 175.30 175.48 1ngg s PRO 101 N -1.39 4.10 0.02 3.54 0.04 -1.26 -0.06 135.00 139.99 1ngg s PRO 101 Ca 0.33 0.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 1ngg s PRO 101 Cb -0.19 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1ngg s PRO 101 CO 0.20 0.06 -0.03 0.15 0.04 0.00 0.00 177.00 177.42 1ngg s LYS 102 N -3.11 0.35 -0.21 4.56 1.02 0.02 -4.37 119.74 118.01 1ngg s LYS 102 Ca 0.58 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 1ngg s LYS 102 Cb -0.10 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 1ngg s LYS 102 CO 0.16 -0.06 0.17 0.08 -0.92 0.00 0.00 175.35 174.78 1ngg s VAL 103 N -1.78 5.37 -0.21 3.17 1.01 0.21 -0.18 120.40 128.00 1ngg s VAL 103 Ca -0.13 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1ngg s VAL 103 Cb -0.08 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1ngg s VAL 103 CO -0.02 0.40 0.01 -1.58 0.00 0.00 0.00 175.10 173.91 1ngg s GLN 104 N 0.62 3.64 0.23 2.72 0.74 0.95 -0.43 119.66 128.13 1ngg s GLN 104 Ca 0.09 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.01 1ngg s GLN 104 Cb -0.12 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 1ngg s GLN 104 CO 0.01 -0.01 0.07 0.14 -0.55 0.00 0.00 175.29 174.94 1ngg s VAL 105 N 1.08 0.59 -0.27 1.34 -7.23 0.81 -3.73 120.40 112.99 1ngg s VAL 105 Ca 0.03 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1ngg s VAL 105 Cb -0.14 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1ngg s VAL 105 CO 0.02 -0.15 0.02 -0.70 -0.31 0.00 0.00 175.10 173.98 1ngg s GLU 106 N -4.00 3.09 -0.18 4.82 2.12 -1.26 0.42 118.70 123.71 1ngg s GLU 106 Ca 0.34 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.84 1ngg s GLU 106 Cb 0.07 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1ngg s GLU 106 CO 0.11 -0.38 -0.18 -0.47 -0.54 0.00 0.00 175.26 173.79 1ngg s TYR 107 N 1.45 2.69 -1.24 5.30 5.04 -0.11 -4.44 117.35 126.04 1ngg s TYR 107 Ca 0.02 -1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 53.01 1ngg s TYR 107 Cb -0.17 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.28 1ngg s TYR 107 CO -0.00 -0.79 0.81 1.63 -1.34 0.00 0.00 175.55 175.86 1ngg n LYS 108 N 4.64 -4.92 0.00 4.97 5.02 -0.65 -2.45 118.16 124.77 1ngg n LYS 108 Ca -0.20 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1ngg n LYS 108 Cb 0.49 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1ngg n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ngg n GLY 109 N -1.42 1.61 3.82 0.72 0.00 -1.26 -4.95 105.19 103.71 1ngg n GLY 109 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1ngg n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ngg s GLU 110 N 0.00 4.13 0.05 1.61 0.41 -1.02 -5.05 118.70 118.82 1ngg s GLU 110 Ca 0.00 0.65 -0.27 0.00 -0.41 0.00 0.00 54.97 54.94 1ngg s GLU 110 Cb 0.00 -3.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.09 1ngg s GLU 110 CO 0.00 0.64 0.86 0.95 -0.49 0.00 0.00 175.26 177.22 1ngg s THR 111 N -1.13 4.71 0.11 3.63 -4.23 -1.26 -0.94 115.64 116.53 1ngg s THR 111 Ca 0.29 1.83 0.04 0.00 -1.18 0.00 0.00 61.69 62.66 1ngg s THR 111 Cb -0.19 -4.21 -0.04 0.00 1.34 0.00 0.00 72.50 69.40 1ngg s THR 111 CO 0.18 0.30 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.92 1ngg s LYS 112 N 0.22 0.91 0.04 3.99 1.02 0.17 -4.94 119.74 121.15 1ngg s LYS 112 Ca 0.43 -1.25 0.06 0.00 0.02 0.00 0.00 55.97 55.23 1ngg s LYS 112 Cb -0.21 -0.55 -0.02 0.00 -0.52 0.00 0.00 37.83 36.52 1ngg s LYS 112 CO 0.26 0.08 -0.17 -1.54 -0.92 0.00 0.00 175.35 173.05 1ngg s SER 113 N -2.69 2.07 0.01 2.83 1.04 -1.26 -0.13 113.70 115.58 1ngg s SER 113 Ca 0.09 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1ngg s SER 113 Cb -0.01 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 1ngg s SER 113 CO -0.00 0.11 -0.11 -0.36 0.98 0.00 0.00 173.24 173.86 1ngg s PHE 114 N -0.79 0.96 0.35 5.02 0.08 0.43 -4.92 117.98 119.10 1ngg s PHE 114 Ca 0.05 -0.27 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 1ngg s PHE 114 Cb -0.08 -0.59 -0.10 0.00 -0.57 0.00 0.00 43.02 41.68 1ngg s PHE 114 CO 0.01 -0.01 1.00 0.71 -0.10 0.00 0.00 175.22 176.84 1ngg s TYR 115 N -0.57 3.51 0.33 0.36 2.02 -1.26 -0.62 117.35 121.12 1ngg s TYR 115 Ca 0.01 1.72 0.10 0.00 -0.37 0.00 0.00 57.07 58.53 1ngg s TYR 115 Cb -0.06 -3.03 0.98 0.00 -0.40 0.00 0.00 41.96 39.46 1ngg s TYR 115 CO 0.00 -0.18 1.63 -1.35 -1.57 0.00 0.00 175.55 174.08 1ngg h PRO 116 N 2.92 0.19 0.00 -1.71 0.11 -1.94 0.41 132.00 131.98 1ngg h PRO 116 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1ngg h PRO 116 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ngg h PRO 116 CO 0.64 0.12 -0.18 1.05 -0.21 0.00 0.00 178.00 179.43 1ngg h GLU 117 N 0.19 0.00 -0.07 1.05 9.09 -1.91 -2.20 114.58 120.72 1ngg h GLU 117 Ca 0.68 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.91 1ngg h GLU 117 Cb 1.56 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.65 1ngg h GLU 117 CO -0.69 0.18 -0.73 0.93 0.05 0.00 0.00 179.01 178.75 1ngg h GLU 118 N 0.00 0.38 -0.27 1.06 5.08 -0.54 -0.50 114.58 119.78 1ngg h GLU 118 Ca -0.00 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1ngg h GLU 118 Cb 0.38 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ngg h GLU 118 CO 0.02 0.95 -0.01 0.28 -1.00 0.00 0.00 179.01 179.25 1ngg h VAL 119 N 0.26 1.26 -0.75 3.13 2.07 -1.27 -2.34 116.25 118.60 1ngg h VAL 119 Ca -0.03 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1ngg h VAL 119 Cb 1.30 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1ngg h VAL 119 CO 0.12 0.31 0.30 0.28 0.02 0.00 0.00 177.57 178.60 1ngg h SER 120 N 0.27 1.03 -0.37 0.57 0.02 -1.35 -1.71 113.55 112.02 1ngg h SER 120 Ca 0.08 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1ngg h SER 120 Cb 0.45 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ngg h SER 120 CO 0.02 0.92 0.25 0.77 -1.14 0.00 0.00 176.83 177.64 1ngg h SER 121 N 1.09 0.39 -0.29 3.07 4.64 -0.88 0.15 113.55 121.72 1ngg h SER 121 Ca 0.25 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1ngg h SER 121 Cb 0.21 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1ngg h SER 121 CO -0.02 0.28 0.12 0.24 -0.87 0.00 0.00 176.83 176.58 1ngg h MET 122 N 0.45 0.43 -0.30 4.77 2.86 -0.77 0.12 114.93 122.50 1ngg h MET 122 Ca 0.14 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1ngg h MET 122 Cb 0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1ngg h MET 122 CO -0.03 0.44 0.08 0.28 1.06 0.00 0.00 176.91 178.73 1ngg h VAL 123 N 0.32 1.21 -0.90 -2.22 2.07 -0.97 -2.41 116.25 113.36 1ngg h VAL 123 Ca 0.10 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1ngg h VAL 123 Cb 0.17 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1ngg h VAL 123 CO -0.01 0.23 0.59 -0.07 0.02 0.00 0.00 177.57 178.33 1ngg h LEU 124 N 0.31 0.88 -0.96 2.57 4.07 -0.55 -0.48 115.31 121.16 1ngg h LEU 124 Ca 0.09 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1ngg h LEU 124 Cb 0.28 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1ngg h LEU 124 CO 0.00 0.55 0.05 0.74 -1.08 0.00 0.00 178.44 178.70 1ngg h THR 125 N 0.99 1.24 -0.52 0.22 2.02 -0.40 -0.81 112.91 115.64 1ngg h THR 125 Ca 0.40 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1ngg h THR 125 Cb 0.26 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1ngg h THR 125 CO -0.16 0.33 0.13 0.50 0.37 0.00 0.00 175.52 176.70 1ngg h LYS 126 N 0.76 0.83 -0.12 6.66 1.63 -0.63 -0.12 116.57 125.58 1ngg h LYS 126 Ca 0.16 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ngg h LYS 126 Cb 0.39 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1ngg h LYS 126 CO 0.01 0.79 0.04 0.52 -3.45 0.00 0.00 179.45 177.36 1ngg h MET 127 N 0.72 0.18 -0.76 1.90 2.86 -0.92 0.09 114.93 119.00 1ngg h MET 127 Ca 0.16 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1ngg h MET 127 Cb 0.33 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 1ngg h MET 127 CO 0.00 0.32 0.40 -0.22 1.06 0.00 0.00 176.91 178.48 1ngg h LYS 128 N 0.00 0.65 0.12 1.72 3.64 -1.04 -0.45 116.57 121.23 1ngg h LYS 128 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ngg h LYS 128 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ngg h LYS 128 CO -0.00 0.43 -0.06 1.49 -2.27 0.00 0.00 179.45 179.04 1ngg h GLU 129 N 0.67 -0.17 -0.53 1.90 4.81 -0.65 -0.89 114.58 119.73 1ngg h GLU 129 Ca 0.37 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.68 1ngg h GLU 129 Cb 0.38 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1ngg h GLU 129 CO -0.27 -0.11 0.23 0.82 -0.73 0.00 0.00 179.01 178.96 1ngg h ILE 130 N -0.17 0.88 0.61 2.32 2.04 -0.19 -0.33 117.51 122.66 1ngg h ILE 130 Ca -0.01 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1ngg h ILE 130 Cb 0.14 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ngg h ILE 130 CO 0.02 0.08 -0.32 0.00 0.00 0.00 0.00 178.15 177.94 1ngg h ALA 131 N 1.32 -0.85 -0.86 1.87 0.00 -0.83 -2.19 119.26 117.71 1ngg h ALA 131 Ca 0.25 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1ngg h ALA 131 Cb 0.22 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1ngg h ALA 131 CO -0.21 -0.98 0.47 0.93 0.00 0.00 0.00 179.25 179.46 1ngg h GLU 132 N -0.85 0.69 -0.60 0.00 5.08 -0.91 0.43 114.58 118.42 1ngg h GLU 132 Ca -0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1ngg h GLU 132 Cb 0.66 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1ngg h GLU 132 CO 0.12 0.45 0.30 0.00 -1.00 0.00 0.00 179.01 178.89 1ngg h ALA 133 N 1.53 1.41 0.10 3.43 0.00 -0.87 0.22 119.26 125.08 1ngg h ALA 133 Ca 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ngg h ALA 133 Cb 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ngg h ALA 133 CO -0.32 0.47 -0.05 -0.92 0.00 0.00 0.00 179.25 178.43 1ngg h TYR 134 N 0.84 -0.12 0.00 0.00 3.20 -0.34 -3.34 116.97 117.21 1ngg h TYR 134 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ngg h TYR 134 Cb 0.06 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ngg h TYR 134 CO 0.01 0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.64 1ngg h LEU 135 N -1.00 0.00 1.94 2.82 3.38 -0.19 -3.46 115.31 118.82 1ngg h LEU 135 Ca -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.56 1ngg h LEU 135 Cb 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1ngg h LEU 135 CO 0.02 0.00 -0.44 0.61 0.09 0.00 0.00 178.44 178.72 1ngg n GLY 136 N -0.83 0.61 3.30 0.83 0.00 0.77 -4.94 105.19 104.93 1ngg n GLY 136 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1ngg n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngg s LYS 137 N -4.38 1.05 0.06 1.61 1.02 -1.18 -5.07 119.74 112.86 1ngg s LYS 137 Ca 0.00 -0.97 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 1ngg s LYS 137 Cb 0.00 0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 37.66 1ngg s LYS 137 CO 0.00 -0.38 0.94 -0.08 -0.92 0.00 0.00 175.35 174.91 1ngg s THR 138 N -3.89 4.66 -0.21 2.17 -1.32 -1.26 -4.28 115.64 111.51 1ngg s THR 138 Ca 0.09 2.01 -0.13 0.00 -1.21 0.00 0.00 61.69 62.45 1ngg s THR 138 Cb 0.03 -4.30 -0.05 0.00 -1.51 0.00 0.00 72.50 66.68 1ngg s THR 138 CO -0.07 0.27 0.27 -0.69 -2.21 0.00 0.00 174.62 172.19 1ngg s VAL 139 N 0.36 5.29 0.04 5.08 1.01 -1.26 -4.75 120.40 126.17 1ngg s VAL 139 Ca 0.48 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 1ngg s VAL 139 Cb -0.22 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ngg s VAL 139 CO 0.28 0.32 -0.04 0.41 0.00 0.00 0.00 175.10 176.07 1ngg n THR 140 N 4.16 0.89 -2.54 3.92 -1.04 -1.26 -4.89 114.28 113.52 1ngg n THR 140 Ca -0.12 0.28 -0.38 0.00 -2.04 0.00 0.00 64.05 61.79 1ngg n THR 140 Cb 0.52 -1.52 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 1ngg n THR 140 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ngg s ASN 141 N -5.64 6.95 0.04 8.00 0.01 -1.26 -0.06 114.94 122.97 1ngg s ASN 141 Ca -0.03 2.10 -0.27 0.00 -0.71 0.00 0.00 52.86 53.94 1ngg s ASN 141 Cb 0.00 -2.60 0.07 0.00 0.41 0.00 0.00 41.25 39.14 1ngg s ASN 141 CO 0.05 -0.36 0.65 0.00 -1.51 0.00 0.00 177.10 175.93 1ngg s ALA 142 N -1.50 -1.70 -0.15 0.60 0.00 -0.48 -1.70 121.76 116.84 1ngg s ALA 142 Ca 0.53 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1ngg s ALA 142 Cb -0.25 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1ngg s ALA 142 CO 0.31 -0.55 -0.20 0.08 0.00 0.00 0.00 175.76 175.41 1ngg s VAL 143 N -2.35 2.23 0.02 0.00 1.01 -0.36 0.46 120.40 121.42 1ngg s VAL 143 Ca -0.05 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1ngg s VAL 143 Cb -0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1ngg s VAL 143 CO -0.01 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 1ngg s VAL 144 N 0.90 3.23 0.07 2.92 1.01 -0.95 -0.94 120.40 126.65 1ngg s VAL 144 Ca -0.05 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1ngg s VAL 144 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1ngg s VAL 144 CO -0.03 0.36 0.18 0.42 0.00 0.00 0.00 175.10 176.03 1ngg s THR 145 N -0.97 5.19 -0.00 3.92 -4.23 -0.82 -2.06 115.64 116.66 1ngg s THR 145 Ca 0.16 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1ngg s THR 145 Cb -0.11 -3.53 -0.00 0.00 1.34 0.00 0.00 72.50 70.20 1ngg s THR 145 CO 0.07 0.12 0.10 0.54 -0.54 0.00 0.00 174.62 174.91 1ngg s VAL 146 N -1.50 0.07 0.85 2.29 0.11 -0.47 -4.34 120.40 117.41 1ngg s VAL 146 Ca 0.34 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.68 1ngg s VAL 146 Cb -0.13 -0.34 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 1ngg s VAL 146 CO 0.27 -0.32 0.93 -2.65 -3.33 0.00 0.00 175.10 169.99 1ngg n PRO 147 N 1.83 -0.03 0.20 1.54 -0.02 -1.26 -0.88 135.00 136.39 1ngg n PRO 147 Ca -0.21 0.06 0.04 0.00 -2.02 0.00 0.00 63.50 61.37 1ngg n PRO 147 Cb 0.56 -2.22 0.43 0.00 -0.02 0.00 0.00 33.50 32.26 1ngg n PRO 147 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ngg h ALA 148 N -1.16 1.47 -0.03 3.55 0.00 -1.95 -2.90 119.26 118.24 1ngg h ALA 148 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1ngg h ALA 148 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ngg h ALA 148 CO 0.42 0.37 0.00 2.48 0.00 0.00 0.00 179.25 182.52 1ngg n TYR 149 N -4.13 0.03 -2.13 0.00 0.18 -1.26 -4.88 117.16 104.97 1ngg n TYR 149 Ca -0.02 -0.01 -0.42 0.00 1.88 0.00 0.00 57.90 59.33 1ngg n TYR 149 Cb 0.34 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.27 1ngg n TYR 149 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1ngg s PHE 150 N -1.97 3.21 0.98 -3.48 0.40 -1.10 -5.02 117.98 111.01 1ngg s PHE 150 Ca 0.39 0.91 -0.16 0.00 -0.60 0.00 0.00 56.93 57.47 1ngg s PHE 150 Cb 0.20 -3.72 0.22 0.00 0.51 0.00 0.00 43.02 40.22 1ngg s PHE 150 CO 0.32 -2.55 1.34 0.54 0.70 0.00 0.00 175.22 175.58 1ngg s ASN 151 N 1.04 2.89 0.53 1.36 2.20 -1.26 -4.82 114.94 116.88 1ngg s ASN 151 Ca 0.65 0.15 0.19 0.00 -0.94 0.00 0.00 52.86 52.91 1ngg s ASN 151 Cb -0.38 -0.11 1.37 0.00 -2.00 0.00 0.00 41.25 40.12 1ngg s ASN 151 CO 0.31 -2.86 2.15 0.44 -2.94 0.00 0.00 177.10 174.20 1ngg h ASP 152 N -1.72 0.00 -0.12 3.54 3.32 -1.99 -1.79 116.42 117.66 1ngg h ASP 152 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 1ngg h ASP 152 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ngg h ASP 152 CO 0.33 0.03 -0.32 0.28 -1.72 0.00 0.00 179.24 177.84 1ngg h SER 153 N 0.00 0.48 -0.64 6.45 0.02 -1.93 -0.35 113.55 117.58 1ngg h SER 153 Ca -0.00 -0.59 -0.07 0.00 -0.84 0.00 0.00 61.79 60.29 1ngg h SER 153 Cb 0.06 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1ngg h SER 153 CO 0.00 0.99 0.14 1.56 -1.14 0.00 0.00 176.83 178.38 1ngg h GLN 154 N 0.00 1.06 -0.27 3.45 4.20 -1.65 -0.64 115.11 121.27 1ngg h GLN 154 Ca -0.01 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 1ngg h GLN 154 Cb 0.93 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1ngg h GLN 154 CO 0.07 0.95 -0.07 0.00 -0.67 0.00 0.00 178.83 179.11 1ngg h ARG 155 N 1.00 0.52 -0.13 1.46 3.08 -1.34 -2.19 114.38 116.79 1ngg h ARG 155 Ca 0.21 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1ngg h ARG 155 Cb 0.38 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1ngg h ARG 155 CO 0.01 0.74 -0.27 1.96 -1.07 0.00 0.00 179.97 181.34 1ngg h GLN 156 N 0.27 -0.33 -0.48 0.04 1.08 -0.78 -0.17 115.11 114.75 1ngg h GLN 156 Ca 0.07 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 1ngg h GLN 156 Cb 0.55 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1ngg h GLN 156 CO 0.03 -0.22 0.32 0.00 -0.95 0.00 0.00 178.83 178.01 1ngg h ALA 157 N 0.56 1.89 -0.21 3.87 0.00 -1.07 0.13 119.26 124.44 1ngg h ALA 157 Ca 0.10 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1ngg h ALA 157 Cb 0.49 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ngg h ALA 157 CO -0.32 0.04 -0.69 1.15 0.00 0.00 0.00 179.25 179.43 1ngg h THR 158 N 0.44 1.28 -0.69 0.00 2.02 -0.65 -0.24 112.91 115.07 1ngg h THR 158 Ca 0.21 -1.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 1ngg h THR 158 Cb 0.25 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1ngg h THR 158 CO -0.05 0.60 0.37 0.50 0.37 0.00 0.00 175.52 177.31 1ngg h LYS 159 N 0.59 0.97 -0.32 6.66 3.64 0.19 -2.26 116.57 126.03 1ngg h LYS 159 Ca -0.03 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1ngg h LYS 159 Cb 1.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1ngg h LYS 159 CO 0.15 0.73 0.15 -0.44 -2.27 0.00 0.00 179.45 177.77 1ngg h ASP 160 N 0.95 0.42 -0.43 4.20 3.32 -0.62 -1.36 116.42 122.89 1ngg h ASP 160 Ca 0.24 -0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.27 1ngg h ASP 160 Cb 0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1ngg h ASP 160 CO -0.04 0.43 0.31 0.00 -1.72 0.00 0.00 179.24 178.22 1ngg h ALA 161 N 1.00 2.33 -0.06 3.45 0.00 -0.72 0.11 119.26 125.36 1ngg h ALA 161 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1ngg h ALA 161 Cb 0.13 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ngg h ALA 161 CO -0.01 -0.45 -0.73 0.78 0.00 0.00 0.00 179.25 178.84 1ngg h GLY 162 N 0.06 0.67 0.99 0.00 0.00 -0.74 -3.03 103.07 101.02 1ngg h GLY 162 Ca 0.21 -1.06 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 1ngg h GLY 162 CO -0.01 0.94 0.22 -0.84 0.00 0.00 0.00 176.54 176.85 1ngg h THR 163 N 0.23 1.11 -0.86 4.70 2.02 0.00 -1.01 112.91 119.12 1ngg h THR 163 Ca -0.07 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 66.96 1ngg h THR 163 Cb 1.39 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 68.36 1ngg h THR 163 CO 0.15 0.11 0.48 0.40 0.37 0.00 0.00 175.52 177.03 1ngg h ILE 164 N 0.47 0.85 0.00 3.11 1.08 -1.19 0.78 117.51 122.61 1ngg h ILE 164 Ca 0.13 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1ngg h ILE 164 Cb -0.01 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1ngg h ILE 164 CO -0.03 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 1ngg n ALA 165 N -2.39 2.33 -1.79 1.87 0.00 -0.97 -4.84 120.51 114.73 1ngg n ALA 165 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1ngg n ALA 165 Cb 0.34 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1ngg n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ngg n GLY 166 N 0.40 0.35 3.57 0.00 0.00 0.27 -4.83 105.19 104.93 1ngg n GLY 166 Ca 0.16 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1ngg n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngg s LEU 167 N -0.90 3.55 -0.82 0.99 1.02 -0.42 -4.80 118.68 117.29 1ngg s LEU 167 Ca 0.00 -0.02 -0.22 0.00 0.02 0.00 0.00 54.13 53.91 1ngg s LEU 167 Cb 0.00 -1.88 0.09 0.00 0.02 0.00 0.00 46.19 44.42 1ngg s LEU 167 CO 0.00 0.17 1.12 0.21 0.02 0.00 0.00 176.35 177.87 1ngg s ASN 168 N 0.39 6.39 -0.67 2.29 2.47 0.91 -3.75 114.94 122.98 1ngg s ASN 168 Ca -0.00 -1.41 -0.26 0.00 0.42 0.00 0.00 52.86 51.60 1ngg s ASN 168 Cb -0.13 -2.44 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 1ngg s ASN 168 CO 0.01 -1.34 2.03 -0.69 -3.72 0.00 0.00 177.10 173.39 1ngg s VAL 169 N 3.81 3.28 0.23 -5.21 1.01 -1.26 -1.38 120.40 120.88 1ngg s VAL 169 Ca 0.31 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 1ngg s VAL 169 Cb -0.09 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.77 1ngg s VAL 169 CO 0.00 -0.68 1.83 -0.07 0.00 0.00 0.00 175.10 176.19 1ngg h LEU 170 N 17.85 0.71 -7.00 3.92 4.07 -0.37 -3.46 115.31 131.03 1ngg h LEU 170 Ca -0.16 0.03 0.13 0.00 0.08 0.00 0.00 57.88 57.95 1ngg h LEU 170 Cb 1.14 -0.12 -0.25 0.00 1.08 0.00 0.00 40.66 42.51 1ngg h LEU 170 CO 1.19 0.45 0.66 -0.60 -1.08 0.00 0.00 178.44 179.06 1ngg s ARG 171 N -6.07 0.43 -0.31 1.13 3.52 -1.24 -5.05 118.95 111.36 1ngg s ARG 171 Ca -0.13 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.52 1ngg s ARG 171 Cb 0.18 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.78 1ngg s ARG 171 CO 0.78 -0.13 0.11 0.42 -0.81 0.00 0.00 175.30 175.66 1ngg s ILE 172 N -1.01 4.10 0.21 4.11 1.01 -1.26 -2.23 121.20 126.13 1ngg s ILE 172 Ca 0.02 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1ngg s ILE 172 Cb -0.01 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1ngg s ILE 172 CO -0.02 0.02 -0.07 0.27 0.00 0.00 0.00 174.94 175.14 1ngg s ILE 173 N 1.51 3.23 0.52 2.92 -4.36 -0.88 -4.95 121.20 119.20 1ngg s ILE 173 Ca 0.02 -1.77 -0.21 0.00 -0.26 0.00 0.00 60.65 58.43 1ngg s ILE 173 Cb -0.18 -2.64 -0.06 0.00 1.25 0.00 0.00 42.46 40.84 1ngg s ILE 173 CO 0.03 -0.20 1.23 0.20 0.24 0.00 0.00 174.94 176.45 1ngg s ASN 174 N -3.10 5.63 0.14 4.36 0.01 -1.26 -1.37 114.94 119.35 1ngg s ASN 174 Ca 0.27 2.45 -0.15 0.00 -0.71 0.00 0.00 52.86 54.72 1ngg s ASN 174 Cb -0.08 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1ngg s ASN 174 CO 0.16 -1.30 1.69 -0.33 -1.51 0.00 0.00 177.10 175.81 1ngg h GLU 175 N 1.52 0.63 -0.80 -0.60 5.08 -1.30 -2.02 114.58 117.09 1ngg h GLU 175 Ca -0.50 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 1ngg h GLU 175 Cb 1.28 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1ngg h GLU 175 CO 0.58 0.58 0.33 -1.00 -1.00 0.00 0.00 179.01 178.50 1ngg h PRO 176 N 0.54 1.18 -0.52 2.33 0.13 -1.93 -1.85 132.00 131.88 1ngg h PRO 176 Ca 0.14 -0.21 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1ngg h PRO 176 Cb 0.19 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 1ngg h PRO 176 CO -0.01 0.95 0.15 1.15 -0.23 0.00 0.00 178.00 180.01 1ngg h THR 177 N 1.15 1.21 -0.49 1.56 2.02 -1.93 -1.20 112.91 115.24 1ngg h THR 177 Ca 0.27 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1ngg h THR 177 Cb 0.20 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1ngg h THR 177 CO -0.02 0.28 -0.08 0.00 0.37 0.00 0.00 175.52 176.07 1ngg h ALA 178 N 1.40 0.95 -0.64 6.16 0.00 -0.89 -1.81 119.26 124.43 1ngg h ALA 178 Ca 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ngg h ALA 178 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ngg h ALA 178 CO -0.01 0.62 0.15 0.00 0.00 0.00 0.00 179.25 180.01 1ngg h ALA 179 N 1.12 0.85 0.14 0.00 0.00 -0.59 -1.92 119.26 118.85 1ngg h ALA 179 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ngg h ALA 179 Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ngg h ALA 179 CO 0.04 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1ngg h ALA 180 N 1.05 -0.18 -0.58 0.00 0.00 -1.00 -2.65 119.26 115.90 1ngg h ALA 180 Ca 0.20 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1ngg h ALA 180 Cb 0.37 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ngg h ALA 180 CO 0.00 -0.59 0.39 0.82 0.00 0.00 0.00 179.25 179.87 1ngg h ILE 181 N -0.20 0.98 -0.97 0.00 2.04 -1.21 -1.66 117.51 116.49 1ngg h ILE 181 Ca -0.02 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1ngg h ILE 181 Cb 0.16 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1ngg h ILE 181 CO 0.03 0.10 0.64 0.00 0.00 0.00 0.00 178.15 178.91 1ngg h ALA 182 N 1.69 1.29 -0.00 1.87 0.00 -0.98 -2.32 119.26 120.80 1ngg h ALA 182 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ngg h ALA 182 Cb 0.32 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ngg h ALA 182 CO -0.07 0.65 -0.29 0.66 0.00 0.00 0.00 179.25 180.20 1ngg n TYR 183 N -4.38 0.00 -0.73 0.00 4.01 -0.70 -4.94 117.16 110.42 1ngg n TYR 183 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1ngg n TYR 183 Cb 0.02 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 1ngg n TYR 183 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ngg n GLY 184 N 1.38 0.59 0.03 2.72 0.00 -0.79 -4.94 105.19 104.20 1ngg n GLY 184 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ngg n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ngg n LEU 185 N 0.00 0.04 -0.16 0.99 4.77 -0.73 -2.68 117.00 119.23 1ngg n LEU 185 Ca 0.00 -0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1ngg n LEU 185 Cb 0.00 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1ngg n LEU 185 CO 0.00 0.01 0.08 -0.90 -1.33 0.00 0.00 177.39 175.25 1ngg n ASP 186 N -0.46 1.20 -4.77 -1.43 5.75 -1.26 -4.94 116.55 110.65 1ngg n ASP 186 Ca 0.00 -1.10 -0.40 0.00 -0.01 0.00 0.00 54.79 53.28 1ngg n ASP 186 Cb 0.01 0.80 -0.01 0.00 -1.03 0.00 0.00 41.12 40.89 1ngg n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ngg s LYS 187 N -2.47 4.08 -0.13 0.11 3.01 -1.09 -3.89 119.74 119.35 1ngg s LYS 187 Ca 0.10 2.17 -0.29 0.00 -1.01 0.00 0.00 55.97 56.93 1ngg s LYS 187 Cb 0.14 -2.84 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 1ngg s LYS 187 CO 0.63 -0.40 1.41 0.15 0.51 0.00 0.00 175.35 177.65 1ngg s LYS 188 N -2.12 4.19 -0.11 1.68 1.02 -1.26 -4.74 119.74 118.40 1ngg s LYS 188 Ca 0.55 1.84 0.15 0.00 0.02 0.00 0.00 55.97 58.53 1ngg s LYS 188 Cb -0.38 -3.85 0.29 0.00 -0.52 0.00 0.00 37.83 33.36 1ngg s LYS 188 CO 0.50 -0.78 1.18 1.33 -0.92 0.00 0.00 175.35 176.65 1ngg n VAL 189 N 5.46 1.78 -4.00 3.17 0.24 -1.26 -4.99 118.33 118.74 1ngg n VAL 189 Ca 0.15 -1.95 -0.31 0.00 -2.04 0.00 0.00 64.34 60.20 1ngg n VAL 189 Cb 0.44 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1ngg n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngg n GLY 190 N -1.04 -0.43 3.45 7.63 0.00 -1.26 -4.93 105.19 108.60 1ngg n GLY 190 Ca 0.14 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 1ngg n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngg s ALA 191 N -3.41 -1.65 -0.30 4.61 0.00 -1.26 -5.11 121.76 114.64 1ngg s ALA 191 Ca 0.55 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.97 1ngg s ALA 191 Cb -0.28 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1ngg s ALA 191 CO 0.87 -0.70 0.68 -2.00 0.00 0.00 0.00 175.76 174.61 1ngg s GLU 192 N -3.30 3.95 -0.16 0.00 2.12 -1.26 -4.52 118.70 115.53 1ngg s GLU 192 Ca -0.00 0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 1ngg s GLU 192 Cb -0.01 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1ngg s GLU 192 CO -0.09 -0.58 -0.02 0.50 -0.54 0.00 0.00 175.26 174.53 1ngg s ARG 193 N 2.69 3.73 -0.23 4.30 3.52 -1.12 -4.97 118.95 126.88 1ngg s ARG 193 Ca 0.28 -0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 55.30 1ngg s ARG 193 Cb -0.15 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1ngg s ARG 193 CO 0.11 0.25 0.11 -0.80 -0.81 0.00 0.00 175.30 174.16 1ngg s ASN 194 N 0.37 5.65 0.00 -2.12 0.02 -1.26 -0.99 114.94 116.60 1ngg s ASN 194 Ca -0.03 -0.02 0.08 0.00 -1.02 0.00 0.00 52.86 51.88 1ngg s ASN 194 Cb -0.14 -2.01 -0.02 0.00 0.02 0.00 0.00 41.25 39.10 1ngg s ASN 194 CO 0.02 0.05 -0.26 -0.69 0.02 0.00 0.00 177.10 176.25 1ngg s VAL 195 N 1.13 2.03 -0.18 1.60 1.01 0.21 -0.28 120.40 125.92 1ngg s VAL 195 Ca 0.06 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 1ngg s VAL 195 Cb -0.14 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1ngg s VAL 195 CO 0.04 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.31 1ngg s LEU 196 N -0.80 2.67 -0.27 3.92 0.20 0.21 -0.47 118.68 124.14 1ngg s LEU 196 Ca 0.10 -0.43 -0.10 0.00 0.69 0.00 0.00 54.13 54.40 1ngg s LEU 196 Cb -0.10 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1ngg s LEU 196 CO -0.00 0.04 0.14 -0.63 -0.29 0.00 0.00 176.35 175.62 1ngg s ILE 197 N 1.09 4.94 -0.41 6.68 -1.09 0.99 -1.44 121.20 131.97 1ngg s ILE 197 Ca 0.00 0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.39 1ngg s ILE 197 Cb -0.15 -3.34 0.08 0.00 -1.58 0.00 0.00 42.46 37.48 1ngg s ILE 197 CO -0.03 0.29 0.23 0.12 -1.23 0.00 0.00 174.94 174.33 1ngg s PHE 198 N 1.68 3.38 -0.33 3.97 5.36 -0.80 -1.27 117.98 129.97 1ngg s PHE 198 Ca 0.07 -1.74 -0.02 0.00 -0.96 0.00 0.00 56.93 54.27 1ngg s PHE 198 Cb -0.16 -2.97 0.06 0.00 -0.34 0.00 0.00 43.02 39.61 1ngg s PHE 198 CO 0.08 -0.88 0.06 0.34 -1.46 0.00 0.00 175.22 173.36 1ngg s ASP 199 N 2.04 5.02 -0.34 6.13 -1.08 0.54 -0.33 116.67 128.65 1ngg s ASP 199 Ca 0.03 -1.46 0.03 0.00 -0.52 0.00 0.00 52.55 50.63 1ngg s ASP 199 Cb -0.23 -1.75 0.10 0.00 -1.46 0.00 0.00 42.92 39.58 1ngg s ASP 199 CO 0.00 -0.34 0.08 -0.22 0.52 0.00 0.00 175.17 175.21 1ngg s LEU 200 N 1.23 4.00 0.00 -1.34 2.96 -0.52 -0.15 118.68 124.86 1ngg s LEU 200 Ca -0.01 -2.06 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 1ngg s LEU 200 Cb -0.20 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1ngg s LEU 200 CO -0.02 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 1ngg n GLY 201 N 4.36 1.79 0.20 7.98 0.00 -0.74 -1.83 105.19 116.95 1ngg n GLY 201 Ca 0.02 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 1ngg n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ngg h GLY 202 N 0.00 0.73 0.00 -0.02 0.00 -1.92 0.12 103.07 101.98 1ngg h GLY 202 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.32 1ngg h GLY 202 CO 0.00 0.90 0.00 0.61 0.00 0.00 0.00 176.54 178.05 1ngg n GLY 203 N 0.67 0.73 3.21 4.60 0.00 -1.26 -1.20 105.19 111.93 1ngg n GLY 203 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1ngg n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ngg s THR 204 N -0.00 1.28 -0.21 2.61 -4.23 -1.15 -2.59 115.64 111.35 1ngg s THR 204 Ca 0.00 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1ngg s THR 204 Cb 0.00 -1.25 0.05 0.00 1.34 0.00 0.00 72.50 72.64 1ngg s THR 204 CO 0.00 -0.22 -0.09 0.12 -0.54 0.00 0.00 174.62 173.89 1ngg s PHE 205 N -1.38 2.41 -0.07 3.99 5.36 0.66 -1.79 117.98 127.16 1ngg s PHE 205 Ca 0.01 -1.63 0.05 0.00 -0.96 0.00 0.00 56.93 54.41 1ngg s PHE 205 Cb -0.09 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 1ngg s PHE 205 CO 0.03 -0.75 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.30 1ngg s ASP 206 N 1.40 2.91 -0.13 6.13 1.01 0.79 -0.37 116.67 128.39 1ngg s ASP 206 Ca -0.02 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.74 1ngg s ASP 206 Cb -0.17 -0.94 0.02 0.00 1.01 0.00 0.00 42.92 42.84 1ngg s ASP 206 CO -0.08 0.21 -0.13 -0.69 0.21 0.00 0.00 175.17 174.69 1ngg s VAL 207 N 0.01 1.43 -0.07 -1.27 1.01 0.84 -0.34 120.40 122.02 1ngg s VAL 207 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1ngg s VAL 207 Cb -0.15 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1ngg s VAL 207 CO 0.05 0.43 -0.12 -0.44 0.00 0.00 0.00 175.10 175.02 1ngg s SER 208 N 1.45 1.80 -0.32 3.32 0.01 -0.40 -0.64 113.70 118.91 1ngg s SER 208 Ca 0.03 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 1ngg s SER 208 Cb -0.13 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.26 1ngg s SER 208 CO -0.09 0.02 0.19 -0.63 0.41 0.00 0.00 173.24 173.14 1ngg s ILE 209 N 0.76 4.90 0.03 1.44 1.01 -0.39 -0.01 121.20 128.94 1ngg s ILE 209 Ca -0.13 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1ngg s ILE 209 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1ngg s ILE 209 CO 0.03 0.03 0.07 -0.76 0.00 0.00 0.00 174.94 174.31 1ngg s LEU 210 N 1.66 3.81 -0.19 2.97 1.43 0.38 -0.58 118.68 128.16 1ngg s LEU 210 Ca 0.05 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1ngg s LEU 210 Cb -0.17 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.77 1ngg s LEU 210 CO 0.08 0.24 -0.14 -0.89 0.23 0.00 0.00 176.35 175.87 1ngg s THR 211 N -1.25 1.80 -0.40 5.49 2.01 0.68 -0.62 115.64 123.36 1ngg s THR 211 Ca 0.25 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1ngg s THR 211 Cb -0.12 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.66 1ngg s THR 211 CO 0.16 0.30 0.25 -0.63 -0.69 0.00 0.00 174.62 174.01 1ngg s ILE 212 N 1.35 4.55 -0.32 1.82 1.01 -0.16 -0.35 121.20 129.10 1ngg s ILE 212 Ca 0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 1ngg s ILE 212 Cb -0.15 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.74 1ngg s ILE 212 CO -0.10 -0.36 0.04 -0.70 0.00 0.00 0.00 174.94 173.82 1ngg s GLU 213 N 1.52 2.41 -1.27 2.79 2.12 0.17 -2.79 118.70 123.66 1ngg s GLU 213 Ca 0.02 -1.31 -0.05 0.00 0.36 0.00 0.00 54.97 53.99 1ngg s GLU 213 Cb -0.21 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1ngg s GLU 213 CO 0.05 -0.67 0.67 -0.40 -0.54 0.00 0.00 175.26 174.37 1ngg n ASP 214 N 4.65 -2.23 0.00 -1.70 5.68 -1.26 -1.46 116.55 120.22 1ngg n ASP 214 Ca -0.12 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1ngg n ASP 214 Cb 0.43 -3.75 0.00 0.00 -1.14 0.00 0.00 41.12 36.67 1ngg n ASP 214 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ngg n GLY 215 N -1.67 2.57 3.66 6.12 0.00 -1.25 -4.93 105.19 109.68 1ngg n GLY 215 Ca -0.24 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1ngg n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngg s ILE 216 N -0.93 4.60 0.33 -0.61 1.01 -0.54 -5.00 121.20 120.06 1ngg s ILE 216 Ca 0.00 1.92 -0.18 0.00 0.00 0.00 0.00 60.65 62.39 1ngg s ILE 216 Cb 0.00 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1ngg s ILE 216 CO 0.00 -0.22 0.80 -0.36 0.00 0.00 0.00 174.94 175.16 1ngg s PHE 217 N 3.32 3.42 -0.18 3.97 0.40 -1.26 -0.65 117.98 127.01 1ngg s PHE 217 Ca 0.46 1.38 -0.04 0.00 -0.60 0.00 0.00 56.93 58.12 1ngg s PHE 217 Cb -0.15 -2.65 0.08 0.00 0.51 0.00 0.00 43.02 40.80 1ngg s PHE 217 CO 0.09 0.09 0.17 -2.00 0.70 0.00 0.00 175.22 174.27 1ngg s GLU 218 N -2.81 0.13 -0.38 0.44 2.12 0.53 -4.95 118.70 113.77 1ngg s GLU 218 Ca 0.54 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.75 1ngg s GLU 218 Cb -0.11 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 33.02 1ngg s GLU 218 CO 0.17 -0.61 1.23 0.08 -0.54 0.00 0.00 175.26 175.59 1ngg s VAL 219 N 2.26 4.19 -0.01 3.70 1.01 -1.26 -0.23 120.40 130.05 1ngg s VAL 219 Ca 0.05 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.27 1ngg s VAL 219 Cb -0.15 -4.36 -0.28 0.00 0.00 0.00 0.00 36.38 31.58 1ngg s VAL 219 CO -0.10 -0.71 0.80 0.11 0.00 0.00 0.00 175.10 175.19 1ngg h LYS 220 N 9.32 0.27 -2.88 2.72 1.57 -1.19 -3.49 116.57 122.89 1ngg h LYS 220 Ca -0.24 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.09 1ngg h LYS 220 Cb 1.08 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 33.44 1ngg h LYS 220 CO 1.08 1.13 0.26 -1.54 -0.57 0.00 0.00 179.45 179.81 1ngg s SER 221 N -7.01 -0.50 -0.00 0.86 1.04 -1.22 -4.61 113.70 102.26 1ngg s SER 221 Ca -0.11 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.13 1ngg s SER 221 Cb 0.07 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1ngg s SER 221 CO 0.85 -0.96 0.24 0.42 0.98 0.00 0.00 173.24 174.77 1ngg s THR 222 N -3.67 0.07 0.37 2.02 -4.23 -1.26 -1.26 115.64 107.69 1ngg s THR 222 Ca 0.03 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.80 1ngg s THR 222 Cb -0.02 -0.56 0.06 0.00 1.34 0.00 0.00 72.50 73.32 1ngg s THR 222 CO -0.10 -0.32 0.80 0.00 -0.54 0.00 0.00 174.62 174.47 1ngg s ALA 223 N -1.40 -0.80 0.00 3.99 0.00 0.19 -4.85 121.76 118.88 1ngg s ALA 223 Ca -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1ngg s ALA 223 Cb -0.06 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1ngg s ALA 223 CO 0.03 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1ngg n GLY 224 N -0.54 0.83 2.80 0.00 0.00 -1.26 -0.11 105.19 106.91 1ngg n GLY 224 Ca -0.08 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 1ngg n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ngg s ASP 225 N -4.00 0.90 0.00 1.61 -1.08 0.50 -4.99 116.67 109.61 1ngg s ASP 225 Ca 0.00 0.23 0.17 0.00 -0.52 0.00 0.00 52.55 52.43 1ngg s ASP 225 Cb 0.00 0.19 0.88 0.00 -1.46 0.00 0.00 42.92 42.53 1ngg s ASP 225 CO 0.00 -0.25 1.47 0.35 0.52 0.00 0.00 175.17 177.26 1ngg n THR 226 N 5.32 0.40 -2.58 1.71 -2.24 -1.26 -0.25 114.28 115.39 1ngg n THR 226 Ca -0.04 0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1ngg n THR 226 Cb 0.50 -0.83 0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1ngg n THR 226 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ngg n HIS 227 N -1.22 1.93 -3.62 4.78 8.25 -1.25 -4.52 115.22 119.58 1ngg n HIS 227 Ca 0.09 -2.68 -0.15 0.00 -0.26 0.00 0.00 57.72 54.72 1ngg n HIS 227 Cb 0.12 -0.27 -0.13 0.00 1.12 0.00 0.00 29.99 30.82 1ngg n HIS 227 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ngg s LEU 228 N -3.42 -0.25 0.00 2.41 1.98 -1.07 -5.01 118.68 113.33 1ngg s LEU 228 Ca 0.35 0.38 -0.07 0.00 -2.89 0.00 0.00 54.13 51.91 1ngg s LEU 228 Cb 0.41 0.60 0.02 0.00 0.66 0.00 0.00 46.19 47.89 1ngg s LEU 228 CO -0.03 -0.26 0.33 0.61 -1.89 0.00 0.00 176.35 175.10 1ngg n GLY 229 N 5.34 1.35 0.36 7.98 0.00 -1.26 -2.47 105.19 116.50 1ngg n GLY 229 Ca -0.06 -1.05 0.19 0.00 0.00 0.00 0.00 46.02 45.09 1ngg n GLY 229 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ngg h GLY 230 N 0.71 0.00 1.42 -0.02 0.00 0.46 -0.98 103.07 104.68 1ngg h GLY 230 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1ngg h GLY 230 CO 0.14 0.00 -0.07 0.83 0.00 0.00 0.00 176.54 177.45 1ngg h GLU 231 N 0.00 0.70 -0.12 4.80 5.08 -1.44 -2.47 114.58 121.13 1ngg h GLU 231 Ca 0.12 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1ngg h GLU 231 Cb 0.77 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1ngg h GLU 231 CO -0.00 0.76 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.13 1ngg h ASP 232 N 0.64 0.19 -0.22 1.42 5.19 -1.43 -1.12 116.42 121.09 1ngg h ASP 232 Ca 0.12 -0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.35 1ngg h ASP 232 Cb 0.50 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1ngg h ASP 232 CO 0.03 0.40 -0.38 -0.26 -3.12 0.00 0.00 179.24 175.90 1ngg h PHE 233 N 0.18 0.81 -0.35 4.55 0.04 -1.53 -2.80 116.94 117.83 1ngg h PHE 233 Ca 0.03 -0.28 0.01 0.00 2.80 0.00 0.00 57.97 60.53 1ngg h PHE 233 Cb 0.45 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1ngg h PHE 233 CO 0.01 1.04 0.21 -0.44 -0.60 0.00 0.00 178.31 178.53 1ngg h ASP 234 N 0.34 0.34 -0.63 2.17 3.32 -1.00 -2.52 116.42 118.45 1ngg h ASP 234 Ca 0.01 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.18 1ngg h ASP 234 Cb 0.98 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 1ngg h ASP 234 CO 0.09 0.25 0.14 0.78 -1.72 0.00 0.00 179.24 178.77 1ngg h ASN 235 N 0.43 0.01 -0.70 6.45 -0.26 -1.14 0.92 115.58 121.29 1ngg h ASN 235 Ca 0.14 0.12 0.03 0.00 -0.56 0.00 0.00 56.30 56.03 1ngg h ASN 235 Cb -0.01 0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.37 1ngg h ASN 235 CO -0.06 0.00 0.46 0.03 -1.06 0.00 0.00 177.43 176.81 1ngg h ARG 236 N 0.27 0.81 -0.20 0.81 2.47 -1.19 -1.55 114.38 115.80 1ngg h ARG 236 Ca 0.33 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.96 1ngg h ARG 236 Cb 0.51 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1ngg h ARG 236 CO -0.42 0.54 -0.05 0.52 0.56 0.00 0.00 179.97 181.12 1ngg h MET 237 N 0.84 0.39 0.15 0.04 2.86 -0.59 -2.69 114.93 115.93 1ngg h MET 237 Ca 0.28 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1ngg h MET 237 Cb 0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1ngg h MET 237 CO -0.08 0.64 -0.44 0.28 1.06 0.00 0.00 176.91 178.38 1ngg h VAL 238 N 0.10 0.13 -0.91 -2.22 2.07 -0.45 0.17 116.25 115.15 1ngg h VAL 238 Ca 0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.72 1ngg h VAL 238 Cb 0.50 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1ngg h VAL 238 CO 0.02 0.00 0.52 0.78 0.02 0.00 0.00 177.57 178.91 1ngg h ASN 239 N -0.69 0.67 -0.22 0.57 2.35 -1.36 0.17 115.58 117.07 1ngg h ASN 239 Ca 0.01 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1ngg h ASN 239 Cb 0.70 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1ngg h ASN 239 CO -0.23 0.30 0.14 -0.74 -1.65 0.00 0.00 177.43 175.24 1ngg h HIS 240 N 0.74 0.26 0.00 1.19 2.76 -0.93 -1.52 115.15 117.64 1ngg h HIS 240 Ca 0.49 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.55 1ngg h HIS 240 Cb 0.66 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1ngg h HIS 240 CO -0.05 0.16 -0.55 0.74 -1.30 0.00 0.00 177.93 176.93 1ngg h PHE 241 N 0.28 0.00 -0.28 5.26 0.04 0.38 -2.24 116.94 120.38 1ngg h PHE 241 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1ngg h PHE 241 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1ngg h PHE 241 CO -0.07 0.55 0.08 0.82 -0.60 0.00 0.00 178.31 179.09 1ngg h ILE 242 N 0.00 1.21 -0.75 -0.55 2.04 -0.40 -0.35 117.51 118.71 1ngg h ILE 242 Ca -0.01 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1ngg h ILE 242 Cb 1.04 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1ngg h ILE 242 CO 0.07 0.22 0.49 0.00 0.00 0.00 0.00 178.15 178.93 1ngg h ALA 243 N 0.91 0.96 -0.53 1.87 0.00 -1.11 -1.19 119.26 120.17 1ngg h ALA 243 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1ngg h ALA 243 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ngg h ALA 243 CO -0.00 0.34 -0.07 1.49 0.00 0.00 0.00 179.25 181.01 1ngg h GLU 244 N 0.99 0.96 -0.67 0.00 4.81 -1.10 -1.70 114.58 117.86 1ngg h GLU 244 Ca 0.28 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1ngg h GLU 244 Cb -0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1ngg h GLU 244 CO -0.08 0.99 0.25 0.35 -0.73 0.00 0.00 179.01 179.79 1ngg h PHE 245 N 0.87 1.04 0.00 0.92 3.04 -0.55 0.22 116.94 122.46 1ngg h PHE 245 Ca 0.15 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1ngg h PHE 245 Cb 0.60 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 1ngg h PHE 245 CO 0.04 0.82 -0.04 -0.22 -2.02 0.00 0.00 178.31 176.88 1ngg h LYS 246 N 0.95 0.00 0.04 1.11 3.64 -0.96 0.38 116.57 121.73 1ngg h LYS 246 Ca 0.22 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 1ngg h LYS 246 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1ngg h LYS 246 CO -0.01 0.04 -0.89 -0.09 -2.27 0.00 0.00 179.45 176.22 1ngg h ARG 247 N 0.00 0.09 0.00 1.90 2.43 -0.53 -2.04 114.38 116.23 1ngg h ARG 247 Ca -0.00 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 58.84 1ngg h ARG 247 Cb 0.44 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1ngg h ARG 247 CO 0.01 1.07 -0.87 0.87 -1.51 0.00 0.00 179.97 179.53 1ngg h LYS 248 N -0.76 0.01 -0.00 0.20 1.57 -0.81 -3.37 116.57 113.41 1ngg h LYS 248 Ca -0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1ngg h LYS 248 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1ngg h LYS 248 CO -0.05 0.88 -0.01 0.72 -0.57 0.00 0.00 179.45 180.42 1ngg n HIS 249 N -3.51 0.00 -2.24 -1.35 8.25 0.13 -5.00 115.22 111.50 1ngg n HIS 249 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 1ngg n HIS 249 Cb 0.83 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.92 1ngg n HIS 249 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ngg n LYS 250 N -0.46 -1.78 -4.65 -0.41 4.76 -0.77 -4.96 118.16 109.90 1ngg n LYS 250 Ca 0.00 0.91 -0.30 0.00 -2.87 0.00 0.00 58.31 56.05 1ngg n LYS 250 Cb 0.01 -5.50 -0.17 0.00 -1.84 0.00 0.00 35.03 27.54 1ngg n LYS 250 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ngg s LYS 251 N -4.75 2.63 -0.28 1.97 3.01 -1.26 -4.99 119.74 116.07 1ngg s LYS 251 Ca 0.00 -0.72 -0.18 0.00 -1.01 0.00 0.00 55.97 54.07 1ngg s LYS 251 Cb 0.00 -2.14 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 1ngg s LYS 251 CO 0.00 -0.01 0.52 0.34 0.51 0.00 0.00 175.35 176.71 1ngg s ASP 252 N 0.81 6.41 0.00 2.83 2.15 -1.26 -3.51 116.67 124.10 1ngg s ASP 252 Ca -0.09 0.42 0.23 0.00 0.43 0.00 0.00 52.55 53.54 1ngg s ASP 252 Cb -0.16 -2.28 0.49 0.00 -0.30 0.00 0.00 42.92 40.67 1ngg s ASP 252 CO -0.00 -0.32 1.43 2.30 -0.17 0.00 0.00 175.17 178.40 1ngg n ILE 253 N 5.22 0.42 -0.35 4.11 -5.35 -1.26 -4.53 119.36 117.62 1ngg n ILE 253 Ca -0.04 -0.64 0.15 0.00 -0.27 0.00 0.00 62.75 61.94 1ngg n ILE 253 Cb 0.50 0.86 0.35 0.00 -1.74 0.00 0.00 39.64 39.61 1ngg n ILE 253 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ngg h SER 254 N 3.97 0.72 -0.39 7.28 0.02 -1.96 -1.65 113.55 121.54 1ngg h SER 254 Ca 0.00 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1ngg h SER 254 Cb 0.87 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1ngg h SER 254 CO 0.00 0.19 -0.29 1.05 -1.14 0.00 0.00 176.83 176.64 1ngg h GLU 255 N 0.67 0.89 -5.73 3.45 -0.00 -2.03 -3.41 114.58 108.42 1ngg h GLU 255 Ca 0.61 -0.43 -0.32 0.00 -0.00 0.00 0.00 59.36 59.22 1ngg h GLU 255 Cb 1.05 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.77 1ngg h GLU 255 CO -0.43 1.08 0.87 1.21 -0.00 0.00 0.00 179.01 181.74 1ngg s ASN 256 N -6.70 4.96 0.46 3.06 3.84 -0.62 -4.83 114.94 115.12 1ngg s ASN 256 Ca -0.12 -0.19 0.20 0.00 0.21 0.00 0.00 52.86 52.97 1ngg s ASN 256 Cb 0.11 -2.55 1.19 0.00 -0.55 0.00 0.00 41.25 39.45 1ngg s ASN 256 CO 0.86 -2.81 1.92 0.11 -2.79 0.00 0.00 177.10 174.39 1ngg h LYS 257 N 13.05 0.26 -0.15 0.43 6.56 -1.82 -1.44 116.57 133.45 1ngg h LYS 257 Ca -0.04 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 1ngg h LYS 257 Cb 1.07 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.66 1ngg h LYS 257 CO 1.18 0.17 -0.10 -0.09 -2.06 0.00 0.00 179.45 178.55 1ngg h ARG 258 N 0.27 0.34 0.10 3.15 2.43 -1.89 -1.19 114.38 117.60 1ngg h ARG 258 Ca 0.38 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1ngg h ARG 258 Cb 1.07 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1ngg h ARG 258 CO -0.09 0.69 -0.17 0.00 -1.51 0.00 0.00 179.97 178.88 1ngg h ALA 259 N 0.65 -0.29 -0.31 2.80 0.00 -1.50 -0.55 119.26 120.07 1ngg h ALA 259 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ngg h ALA 259 Cb 0.60 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ngg h ALA 259 CO 0.03 -0.70 0.20 0.28 0.00 0.00 0.00 179.25 179.06 1ngg h VAL 260 N -0.34 1.08 0.00 0.00 2.07 -1.42 0.10 116.25 117.74 1ngg h VAL 260 Ca 0.02 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1ngg h VAL 260 Cb 0.36 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ngg h VAL 260 CO -0.09 0.08 -0.22 0.03 0.02 0.00 0.00 177.57 177.38 1ngg h ARG 261 N 0.41 0.00 0.08 1.57 3.08 -1.05 -0.37 114.38 118.09 1ngg h ARG 261 Ca 0.11 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.89 1ngg h ARG 261 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1ngg h ARG 261 CO -0.02 0.22 -1.38 0.00 -1.07 0.00 0.00 179.97 177.72 1ngg h ARG 262 N 0.00 0.16 -0.47 0.04 3.08 -0.60 -3.11 114.38 113.49 1ngg h ARG 262 Ca -0.00 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1ngg h ARG 262 Cb 0.55 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1ngg h ARG 262 CO 0.03 1.03 0.03 1.25 -1.07 0.00 0.00 179.97 181.24 1ngg h LEU 263 N 0.04 0.79 -0.64 3.04 5.85 -0.38 -2.59 115.31 121.43 1ngg h LEU 263 Ca -0.17 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1ngg h LEU 263 Cb 1.95 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 1ngg h LEU 263 CO 0.15 0.88 0.38 -0.09 -0.34 0.00 0.00 178.44 179.43 1ngg h ARG 264 N 0.67 0.72 -0.61 1.25 2.43 -1.15 -0.21 114.38 117.48 1ngg h ARG 264 Ca 0.14 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1ngg h ARG 264 Cb 0.46 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1ngg h ARG 264 CO 0.02 0.48 0.31 1.15 -1.51 0.00 0.00 179.97 180.41 1ngg h THR 265 N 0.74 1.20 -0.47 0.20 2.02 -1.45 -0.54 112.91 114.61 1ngg h THR 265 Ca 0.26 -0.53 -0.13 0.00 0.77 0.00 0.00 66.41 66.78 1ngg h THR 265 Cb 0.06 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1ngg h THR 265 CO -0.12 0.23 -0.23 0.00 0.37 0.00 0.00 175.52 175.76 1ngg h ALA 266 N 1.48 0.69 0.15 6.16 0.00 -0.83 -2.94 119.26 123.97 1ngg h ALA 266 Ca 0.22 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ngg h ALA 266 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ngg h ALA 266 CO -0.03 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 1ngg h GLU 268 N -0.48 0.45 -0.06 0.00 4.22 -1.16 0.15 114.58 117.70 1ngg h GLU 268 Ca -0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.34 1ngg h GLU 268 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ngg h GLU 268 CO 0.03 0.30 -0.15 -0.09 -2.18 0.00 0.00 179.01 176.92 1ngg h ARG 269 N 0.47 0.20 -0.72 1.92 2.43 -1.38 -2.74 114.38 114.55 1ngg h ARG 269 Ca 0.49 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1ngg h ARG 269 Cb 1.13 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1ngg h ARG 269 CO -0.21 0.76 0.46 0.00 -1.51 0.00 0.00 179.97 179.47 1ngg h ALA 270 N 0.45 1.44 -0.63 2.80 0.00 -0.06 -2.26 119.26 121.00 1ngg h ALA 270 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ngg h ALA 270 Cb 0.77 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ngg h ALA 270 CO 0.03 0.50 0.41 -0.22 0.00 0.00 0.00 179.25 179.98 1ngg h LYS 271 N 0.99 0.82 -0.57 0.00 3.64 -0.74 -1.17 116.57 119.54 1ngg h LYS 271 Ca 0.26 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ngg h LYS 271 Cb -0.08 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 1ngg h LYS 271 CO -0.05 0.54 0.32 0.00 -2.27 0.00 0.00 179.45 177.99 1ngg h ARG 272 N 0.84 0.78 0.00 1.90 3.08 -1.10 -2.38 114.38 117.50 1ngg h ARG 272 Ca 0.24 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1ngg h ARG 272 Cb -0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 1ngg h ARG 272 CO -0.06 0.58 -0.14 1.79 -1.07 0.00 0.00 179.97 181.07 1ngg h THR 273 N 0.76 0.35 0.00 2.04 1.35 -1.23 -2.46 112.91 113.72 1ngg h THR 273 Ca 0.20 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ngg h THR 273 Cb 0.02 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1ngg h THR 273 CO -0.03 0.13 0.00 -0.07 -0.25 0.00 0.00 175.52 175.30 1ngg h LEU 274 N 0.00 0.00 -0.15 3.87 4.07 -0.68 0.18 115.31 122.60 1ngg h LEU 274 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ngg h LEU 274 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1ngg h LEU 274 CO 0.02 0.00 -0.00 -1.20 -1.08 0.00 0.00 178.44 176.17 1ngg n SER 275 N -2.40 0.23 0.02 -0.43 7.64 -0.93 -4.31 113.62 113.44 1ngg n SER 275 Ca 0.02 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1ngg n SER 275 Cb 0.25 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1ngg n SER 275 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ngg n SER 276 N -0.85 0.06 -4.94 6.43 7.64 -0.80 -4.77 113.62 116.40 1ngg n SER 276 Ca 0.22 0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.93 1ngg n SER 276 Cb 0.16 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1ngg n SER 276 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ngg s SER 277 N -5.07 5.80 0.00 6.43 0.15 0.55 -5.01 113.70 116.56 1ngg s SER 277 Ca 0.00 0.48 0.25 0.00 0.70 0.00 0.00 55.95 57.38 1ngg s SER 277 Cb 0.00 -1.66 0.50 0.00 -1.71 0.00 0.00 66.02 63.15 1ngg s SER 277 CO 0.00 -0.80 1.42 0.35 1.20 0.00 0.00 173.24 175.41 1ngg n THR 278 N -2.25 0.00 -3.55 6.45 -2.24 -1.26 -4.31 114.28 107.12 1ngg n THR 278 Ca 0.02 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 1ngg n THR 278 Cb 0.57 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 1ngg n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ngg s GLN 279 N -2.25 1.01 0.02 -0.78 -2.07 -1.26 0.64 119.66 114.97 1ngg s GLN 279 Ca 0.27 0.21 0.00 0.00 -1.82 0.00 0.00 55.36 54.03 1ngg s GLN 279 Cb 0.20 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 32.57 1ngg s GLN 279 CO 0.43 -0.31 -0.03 0.00 -1.32 0.00 0.00 175.29 174.06 1ngg s ALA 280 N -1.18 0.15 -0.02 2.60 0.00 0.12 -4.87 121.76 118.56 1ngg s ALA 280 Ca -0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1ngg s ALA 280 Cb -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1ngg s ALA 280 CO 0.09 -0.13 0.06 -1.54 0.00 0.00 0.00 175.76 174.25 1ngg s SER 281 N -1.29 5.58 -0.34 0.00 1.04 -1.26 -0.51 113.70 116.91 1ngg s SER 281 Ca -0.14 0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 1ngg s SER 281 Cb -0.09 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.46 1ngg s SER 281 CO -0.01 0.29 0.15 -0.63 0.98 0.00 0.00 173.24 174.03 1ngg s ILE 282 N -1.13 4.32 -0.26 -1.02 -1.09 0.12 -4.91 121.20 117.23 1ngg s ILE 282 Ca 0.21 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1ngg s ILE 282 Cb -0.12 -3.34 0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1ngg s ILE 282 CO 0.11 -0.11 -0.08 -0.70 -1.23 0.00 0.00 174.94 172.94 1ngg s GLU 283 N 1.53 2.04 -0.09 2.79 2.12 -1.26 -0.60 118.70 125.23 1ngg s GLU 283 Ca 0.02 -1.34 -0.01 0.00 0.36 0.00 0.00 54.97 54.00 1ngg s GLU 283 Cb -0.18 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.37 1ngg s GLU 283 CO 0.05 -0.62 -0.05 0.42 -0.54 0.00 0.00 175.26 174.53 1ngg s ILE 284 N 1.13 0.76 0.06 -3.70 1.01 -0.33 -5.02 121.20 115.12 1ngg s ILE 284 Ca -0.06 -0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 1ngg s ILE 284 Cb -0.20 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1ngg s ILE 284 CO -0.06 0.32 0.90 -1.81 0.00 0.00 0.00 174.94 174.29 1ngg s ASP 285 N 1.77 7.37 -0.82 3.58 1.01 -1.26 0.35 116.67 128.66 1ngg s ASP 285 Ca 0.04 1.64 -0.01 0.00 0.71 0.00 0.00 52.55 54.93 1ngg s ASP 285 Cb -0.13 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1ngg s ASP 285 CO -0.07 -0.09 0.64 -1.20 0.21 0.00 0.00 175.17 174.67 1ngg n SER 286 N 3.07 -5.85 0.05 0.27 7.64 -1.17 -4.91 113.62 112.72 1ngg n SER 286 Ca 0.02 -0.68 -0.10 0.00 1.01 0.00 0.00 58.87 59.12 1ngg n SER 286 Cb 0.50 -2.97 -0.07 0.00 -1.01 0.00 0.00 64.21 60.66 1ngg n SER 286 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ngg h LEU 287 N -0.14 -0.18 -7.92 -3.43 5.85 -0.06 -3.45 115.31 105.97 1ngg h LEU 287 Ca -0.43 -0.35 -0.49 0.00 0.84 0.00 0.00 57.88 57.46 1ngg h LEU 287 Cb 1.26 0.05 -0.34 0.00 0.37 0.00 0.00 40.66 42.00 1ngg h LEU 287 CO 0.35 0.40 -0.80 -0.47 -0.34 0.00 0.00 178.44 177.57 1ngg s TYR 288 N -3.20 1.28 0.00 1.25 5.04 -1.23 -4.41 117.35 116.07 1ngg s TYR 288 Ca -0.12 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1ngg s TYR 288 Cb 0.00 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.34 1ngg s TYR 288 CO 0.44 -0.25 0.00 0.39 -1.34 0.00 0.00 175.55 174.79 1ngg n GLU 289 N 3.86 0.00 -0.46 4.97 1.02 -1.26 -0.89 120.64 127.89 1ngg n GLU 289 Ca -0.24 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 56.99 1ngg n GLU 289 Cb 0.51 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.20 1ngg n GLU 289 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ngg n GLY 290 N 0.00 4.05 3.67 0.62 0.00 -1.26 -4.78 105.19 107.49 1ngg n GLY 290 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1ngg n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngg s ILE 291 N -2.84 4.69 -0.14 -0.61 1.01 -0.07 -4.50 121.20 118.74 1ngg s ILE 291 Ca 0.42 2.00 -0.23 0.00 0.00 0.00 0.00 60.65 62.84 1ngg s ILE 291 Cb 0.34 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1ngg s ILE 291 CO 0.09 -0.10 0.73 -1.81 0.00 0.00 0.00 174.94 173.85 1ngg s ASP 292 N 1.20 6.90 -0.53 3.58 1.01 -1.26 0.57 116.67 128.13 1ngg s ASP 292 Ca 0.46 1.09 -0.18 0.00 0.71 0.00 0.00 52.55 54.64 1ngg s ASP 292 Cb -0.17 -2.41 0.09 0.00 1.01 0.00 0.00 42.92 41.44 1ngg s ASP 292 CO 0.11 -0.26 0.57 0.12 0.21 0.00 0.00 175.17 175.92 1ngg s PHE 293 N 1.60 3.12 -0.26 4.23 5.36 0.15 -4.90 117.98 127.28 1ngg s PHE 293 Ca 0.35 -0.89 -0.02 0.00 -0.96 0.00 0.00 56.93 55.42 1ngg s PHE 293 Cb -0.17 -3.63 0.03 0.00 -0.34 0.00 0.00 43.02 38.91 1ngg s PHE 293 CO 0.14 -1.05 -0.05 0.71 -1.46 0.00 0.00 175.22 173.52 1ngg s TYR 294 N 2.21 3.12 0.00 10.12 1.51 -1.26 -1.18 117.35 131.87 1ngg s TYR 294 Ca 0.09 -1.64 0.00 0.00 -1.01 0.00 0.00 57.07 54.51 1ngg s TYR 294 Cb -0.24 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1ngg s TYR 294 CO 0.07 -0.75 0.00 -2.37 -1.11 0.00 0.00 175.55 171.39 1ngg n THR 295 N 4.65 0.00 -3.56 -0.71 5.66 0.24 -5.01 114.28 115.55 1ngg n THR 295 Ca -0.16 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.78 1ngg n THR 295 Cb 0.46 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1ngg n THR 295 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ngg s SER 296 N 0.38 -0.28 0.11 1.09 1.04 -1.26 0.16 113.70 114.94 1ngg s SER 296 Ca 0.00 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.40 1ngg s SER 296 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1ngg s SER 296 CO 0.00 -0.59 -0.10 0.27 0.98 0.00 0.00 173.24 173.80 1ngg s ILE 297 N -3.00 1.00 0.26 -1.02 -5.25 0.33 -4.92 121.20 108.60 1ngg s ILE 297 Ca 0.07 -1.77 0.08 0.00 -0.99 0.00 0.00 60.65 58.05 1ngg s ILE 297 Cb -0.01 -1.51 -0.04 0.00 2.95 0.00 0.00 42.46 43.85 1ngg s ILE 297 CO -0.06 -0.62 0.11 0.42 -1.79 0.00 0.00 174.94 173.00 1ngg s THR 298 N -2.73 3.99 0.28 8.37 -4.23 -1.26 -0.70 115.64 119.36 1ngg s THR 298 Ca 0.09 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1ngg s THR 298 Cb -0.01 -3.16 0.24 0.00 1.34 0.00 0.00 72.50 70.91 1ngg s THR 298 CO -0.00 -0.36 1.93 -0.09 -0.54 0.00 0.00 174.62 175.56 1ngg h ARG 299 N 1.65 1.10 -0.02 3.99 2.43 -0.11 -1.50 114.38 121.92 1ngg h ARG 299 Ca -0.47 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1ngg h ARG 299 Cb 1.24 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 1ngg h ARG 299 CO 0.61 0.77 -0.22 0.00 -1.51 0.00 0.00 179.97 179.62 1ngg h ALA 300 N 1.42 -0.27 -0.24 2.80 0.00 -1.96 0.22 119.26 121.23 1ngg h ALA 300 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ngg h ALA 300 Cb -0.05 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ngg h ALA 300 CO -0.05 -0.71 0.16 0.00 0.00 0.00 0.00 179.25 178.64 1ngg h ARG 301 N -0.34 0.32 -0.39 0.00 2.47 -1.87 -1.82 114.38 112.76 1ngg h ARG 301 Ca 0.07 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1ngg h ARG 301 Cb 0.42 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.62 1ngg h ARG 301 CO -0.21 0.23 0.08 0.35 0.56 0.00 0.00 179.97 180.97 1ngg h PHE 302 N 0.32 0.13 -0.98 3.04 3.57 -0.89 -0.98 116.94 121.16 1ngg h PHE 302 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ngg h PHE 302 Cb -0.02 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1ngg h PHE 302 CO -0.06 0.02 0.64 0.93 -2.23 0.00 0.00 178.31 177.61 1ngg h GLU 303 N 0.21 1.24 -0.68 1.11 5.08 -0.71 -2.03 114.58 118.80 1ngg h GLU 303 Ca 0.19 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1ngg h GLU 303 Cb 0.22 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1ngg h GLU 303 CO -0.25 0.82 0.15 1.49 -1.00 0.00 0.00 179.01 180.22 1ngg h GLU 304 N 1.28 1.09 -0.89 2.33 4.81 -0.53 -0.21 114.58 122.46 1ngg h GLU 304 Ca 0.37 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ngg h GLU 304 Cb -0.07 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1ngg h GLU 304 CO -0.10 0.98 0.51 -0.07 -0.73 0.00 0.00 179.01 179.59 1ngg h LEU 305 N 1.03 1.10 -3.07 1.64 3.38 -0.49 -3.03 115.31 115.88 1ngg h LEU 305 Ca 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ngg h LEU 305 Cb 0.39 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ngg h LEU 305 CO 0.01 0.87 0.00 0.59 0.09 0.00 0.00 178.44 179.99 1ngg n ASN 306 N -4.34 3.95 -0.21 -0.43 4.13 -1.01 -4.79 115.26 112.57 1ngg n ASN 306 Ca 0.10 -2.41 -0.13 0.00 1.68 0.00 0.00 54.58 53.82 1ngg n ASN 306 Cb 0.08 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 37.77 1ngg n ASN 306 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ngg h ALA 307 N 2.93 -0.71 -0.69 5.41 0.00 -0.91 0.48 119.26 125.78 1ngg h ALA 307 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ngg h ALA 307 Cb 1.20 1.18 -0.04 0.00 0.00 0.00 0.00 17.79 20.13 1ngg h ALA 307 CO 0.14 -1.02 0.45 0.38 0.00 0.00 0.00 179.25 179.21 1ngg h ASP 308 N -0.30 0.62 0.03 0.00 2.03 -1.86 -0.55 116.42 116.38 1ngg h ASP 308 Ca 0.10 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1ngg h ASP 308 Cb 0.55 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1ngg h ASP 308 CO -0.68 0.40 -0.01 -0.07 -1.03 0.00 0.00 179.24 177.84 1ngg h LEU 309 N 0.70 -0.03 0.02 0.15 4.07 -1.58 -0.59 115.31 118.05 1ngg h LEU 309 Ca 0.30 -0.42 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ngg h LEU 309 Cb 0.27 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1ngg h LEU 309 CO -0.10 0.41 -0.10 -0.26 -1.08 0.00 0.00 178.44 177.31 1ngg h PHE 310 N -0.47 -0.25 -0.41 1.13 0.04 -0.58 -2.79 116.94 113.61 1ngg h PHE 310 Ca -0.00 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1ngg h PHE 310 Cb 0.45 0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 1ngg h PHE 310 CO 0.07 -0.15 0.23 -0.09 -0.60 0.00 0.00 178.31 177.77 1ngg h ARG 311 N -0.18 0.44 0.00 1.51 2.43 -1.16 -1.87 114.38 115.56 1ngg h ARG 311 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ngg h ARG 311 Cb 0.21 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1ngg h ARG 311 CO -0.09 0.29 0.06 0.78 -1.51 0.00 0.00 179.97 179.51 1ngg h GLY 312 N 0.46 0.00 1.74 2.80 0.00 -0.83 -1.85 103.07 105.38 1ngg h GLY 312 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1ngg h GLY 312 CO -0.10 0.00 0.11 -0.84 0.00 0.00 0.00 176.54 175.71 1ngg h THR 313 N 0.00 0.96 0.00 4.70 2.02 -1.15 -2.76 112.91 116.69 1ngg h THR 313 Ca 0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1ngg h THR 313 Cb 0.13 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ngg h THR 313 CO 0.00 0.01 -0.28 -0.07 0.37 0.00 0.00 175.52 175.56 1ngg h LEU 314 N 0.08 0.00 -0.16 2.58 3.38 -1.52 -3.28 115.31 116.39 1ngg h LEU 314 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1ngg h LEU 314 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1ngg h LEU 314 CO -0.01 0.28 0.06 0.44 0.09 0.00 0.00 178.44 179.30 1ngg h ASP 315 N 0.00 0.08 0.00 -0.43 5.19 -1.69 -0.59 116.42 118.98 1ngg h ASP 315 Ca -0.00 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1ngg h ASP 315 Cb 0.80 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1ngg h ASP 315 CO 0.04 0.07 -0.04 -0.65 -3.12 0.00 0.00 179.24 175.54 1ngg h PRO 316 N 0.15 0.12 -0.10 3.56 0.11 -1.74 -1.13 132.00 132.97 1ngg h PRO 316 Ca 0.07 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1ngg h PRO 316 Cb 0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1ngg h PRO 316 CO -0.06 0.17 -0.01 0.28 -0.21 0.00 0.00 178.00 178.16 1ngg h VAL 317 N 0.12 1.28 -0.94 3.15 2.07 -1.49 -0.64 116.25 119.79 1ngg h VAL 317 Ca 0.03 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1ngg h VAL 317 Cb 0.15 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1ngg h VAL 317 CO 0.01 0.25 0.62 -0.33 0.02 0.00 0.00 177.57 178.14 1ngg h GLU 318 N -0.12 1.20 -0.44 1.57 5.08 -0.75 -2.13 114.58 118.99 1ngg h GLU 318 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ngg h GLU 318 Cb 0.40 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ngg h GLU 318 CO 0.01 0.79 0.22 -0.22 -1.00 0.00 0.00 179.01 178.81 1ngg h LYS 319 N 1.23 0.63 -0.50 2.33 1.63 -1.06 -1.63 116.57 119.20 1ngg h LYS 319 Ca 0.36 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1ngg h LYS 319 Cb -0.07 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 1ngg h LYS 319 CO -0.10 0.54 0.31 0.00 -3.45 0.00 0.00 179.45 176.75 1ngg h ALA 320 N 1.06 0.64 0.37 5.00 0.00 -0.68 -1.31 119.26 124.35 1ngg h ALA 320 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ngg h ALA 320 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ngg h ALA 320 CO -0.02 0.11 -0.21 -0.07 0.00 0.00 0.00 179.25 179.06 1ngg h LEU 321 N 0.67 -0.52 -0.49 0.00 -0.00 -1.27 -0.87 115.31 112.84 1ngg h LEU 321 Ca 0.18 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.18 1ngg h LEU 321 Cb -0.03 0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 40.68 1ngg h LEU 321 CO -0.04 -0.34 -0.30 -0.09 -0.00 0.00 0.00 178.44 177.67 1ngg h ARG 322 N -0.55 -0.18 -0.43 1.13 2.43 -1.08 0.14 114.38 115.83 1ngg h ARG 322 Ca -0.04 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1ngg h ARG 322 Cb 0.44 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1ngg h ARG 322 CO 0.05 -0.12 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.89 1ngg h ASP 323 N -0.19 0.72 1.09 -3.80 3.32 -1.15 -2.33 116.42 114.08 1ngg h ASP 323 Ca 0.21 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ngg h ASP 323 Cb 0.53 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1ngg h ASP 323 CO -0.59 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1ngg n ALA 324 N -2.48 1.96 -2.99 3.45 0.00 -0.34 -4.92 120.51 115.19 1ngg n ALA 324 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1ngg n ALA 324 Cb 0.33 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.40 1ngg n ALA 324 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ngg n LYS 325 N -2.26 -4.40 -4.15 0.00 4.01 0.36 -5.02 118.16 106.70 1ngg n LYS 325 Ca 0.04 0.52 -0.16 0.00 -0.51 0.00 0.00 58.31 58.20 1ngg n LYS 325 Cb 0.33 -4.58 -0.11 0.00 -0.51 0.00 0.00 35.03 30.16 1ngg n LYS 325 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ngg s LEU 326 N -4.76 2.31 0.27 -0.35 1.43 -0.96 -5.05 118.68 111.57 1ngg s LEU 326 Ca 0.14 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1ngg s LEU 326 Cb -0.06 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 1ngg s LEU 326 CO 0.45 -0.16 0.40 -0.62 0.23 0.00 0.00 176.35 176.65 1ngg s ASP 327 N -1.92 6.25 0.43 2.29 2.15 -1.26 -4.41 116.67 120.20 1ngg s ASP 327 Ca -0.02 0.07 0.23 0.00 0.43 0.00 0.00 52.55 53.26 1ngg s ASP 327 Cb -0.08 -1.76 1.22 0.00 -0.30 0.00 0.00 42.92 41.99 1ngg s ASP 327 CO 0.01 -0.16 1.77 0.11 -0.17 0.00 0.00 175.17 176.73 1ngg h LYS 328 N 1.07 0.28 0.00 4.34 1.57 -1.98 0.13 116.57 121.99 1ngg h LYS 328 Ca -0.51 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1ngg h LYS 328 Cb 1.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ngg h LYS 328 CO 0.60 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 180.32 1ngg h SER 329 N 0.29 0.00 0.80 0.86 4.64 -1.98 -3.11 113.55 115.06 1ngg h SER 329 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1ngg h SER 329 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1ngg h SER 329 CO -0.25 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.47 1ngg n GLN 330 N -3.05 0.03 -2.99 4.77 6.02 0.45 -4.78 117.38 117.83 1ngg n GLN 330 Ca 0.01 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1ngg n GLN 330 Cb 0.31 -1.52 -0.05 0.00 1.02 0.00 0.00 30.24 29.99 1ngg n GLN 330 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1ngg s ILE 331 N -3.01 4.91 -0.06 5.09 -5.25 -1.18 -4.51 121.20 117.19 1ngg s ILE 331 Ca 0.12 1.37 -0.24 0.00 -0.99 0.00 0.00 60.65 60.91 1ngg s ILE 331 Cb 0.18 -4.03 -0.27 0.00 2.95 0.00 0.00 42.46 41.28 1ngg s ILE 331 CO 0.61 -0.02 0.92 0.45 -1.79 0.00 0.00 174.94 175.12 1ngg h HIS 332 N 7.75 0.36 -4.12 1.37 3.86 -0.94 -3.47 115.15 119.96 1ngg h HIS 332 Ca -0.25 -0.24 -0.49 0.00 -1.16 0.00 0.00 60.37 58.23 1ngg h HIS 332 Cb 1.11 -0.02 -0.26 0.00 1.06 0.00 0.00 27.41 29.29 1ngg h HIS 332 CO 0.75 1.13 -0.81 -0.51 0.86 0.00 0.00 177.93 179.35 1ngg s ASP 333 N -6.62 1.90 -0.20 2.45 1.01 -0.98 -5.04 116.67 109.19 1ngg s ASP 333 Ca -0.15 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.69 1ngg s ASP 333 Cb 0.00 -0.15 0.04 0.00 1.01 0.00 0.00 42.92 43.82 1ngg s ASP 333 CO 0.78 0.10 -0.11 -0.63 0.21 0.00 0.00 175.17 175.52 1ngg s ILE 334 N -0.71 1.69 -0.09 0.77 1.01 -1.26 -0.62 121.20 121.99 1ngg s ILE 334 Ca 0.04 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1ngg s ILE 334 Cb -0.08 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1ngg s ILE 334 CO 0.01 0.17 -0.05 0.68 0.00 0.00 0.00 174.94 175.75 1ngg s VAL 335 N 1.37 3.86 -0.16 2.92 -7.23 -0.52 -1.18 120.40 119.47 1ngg s VAL 335 Ca -0.02 -0.41 -0.19 0.00 -1.81 0.00 0.00 61.98 59.55 1ngg s VAL 335 Cb -0.16 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1ngg s VAL 335 CO -0.08 0.58 0.55 -0.76 -0.31 0.00 0.00 175.10 175.07 1ngg s LEU 336 N -0.55 4.20 0.07 1.32 1.43 -0.80 -1.90 118.68 122.44 1ngg s LEU 336 Ca 0.09 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1ngg s LEU 336 Cb -0.12 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1ngg s LEU 336 CO 0.02 -0.13 -0.14 -0.69 0.23 0.00 0.00 176.35 175.63 1ngg s VAL 337 N 1.28 1.13 0.00 -1.59 1.01 0.55 -4.54 120.40 118.24 1ngg s VAL 337 Ca 0.27 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1ngg s VAL 337 Cb -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1ngg s VAL 337 CO 0.11 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1ngg n GLY 338 N 1.35 0.98 0.36 4.51 0.00 0.61 -1.44 105.19 111.56 1ngg n GLY 338 Ca -0.21 -1.43 0.18 0.00 0.00 0.00 0.00 46.02 44.57 1ngg n GLY 338 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ngg h GLY 339 N 0.00 0.00 2.00 -0.02 0.00 -1.78 -2.03 103.07 101.24 1ngg h GLY 339 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ngg h GLY 339 CO 0.00 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.19 1ngg h SER 340 N 0.00 0.00 0.39 0.19 0.02 -1.57 -3.12 113.55 109.46 1ngg h SER 340 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ngg h SER 340 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1ngg h SER 340 CO -0.00 0.11 0.00 0.35 -1.14 0.00 0.00 176.83 176.15 1ngg n THR 341 N -3.24 1.16 0.54 -2.27 -2.24 -0.76 -1.93 114.28 105.54 1ngg n THR 341 Ca 0.00 0.29 0.07 0.00 -2.27 0.00 0.00 64.05 62.15 1ngg n THR 341 Cb 0.37 -1.09 0.32 0.00 -2.10 0.00 0.00 70.33 67.83 1ngg n THR 341 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ngg n ARG 342 N -1.49 0.05 -2.42 -0.78 1.74 -1.18 -4.59 116.66 107.99 1ngg n ARG 342 Ca 0.03 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.92 1ngg n ARG 342 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1ngg n ARG 342 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ngg s ILE 343 N -2.90 4.20 0.15 0.55 1.01 -0.81 -4.85 121.20 118.55 1ngg s ILE 343 Ca 0.09 1.51 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 1ngg s ILE 343 Cb 0.09 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1ngg s ILE 343 CO 0.25 -0.04 1.61 -0.65 0.00 0.00 0.00 174.94 176.11 1ngg h PRO 344 N 7.72 -0.29 -0.19 2.79 0.11 -1.86 -1.83 132.00 138.45 1ngg h PRO 344 Ca -0.33 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.86 1ngg h PRO 344 Cb 1.15 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ngg h PRO 344 CO 0.91 -0.19 0.14 -0.22 -0.21 0.00 0.00 178.00 178.43 1ngg h LYS 345 N -0.30 0.00 -0.17 1.05 1.63 -1.96 0.22 116.57 117.03 1ngg h LYS 345 Ca 0.14 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.74 1ngg h LYS 345 Cb 0.52 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1ngg h LYS 345 CO -0.43 0.00 -0.65 0.82 -3.45 0.00 0.00 179.45 175.74 1ngg h ILE 346 N 0.00 1.30 -0.45 2.00 1.08 -1.70 -1.65 117.51 118.09 1ngg h ILE 346 Ca 0.09 -1.87 -0.05 0.00 -0.39 0.00 0.00 64.86 62.64 1ngg h ILE 346 Cb 0.38 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 36.06 1ngg h ILE 346 CO -0.00 0.59 0.08 1.56 -0.69 0.00 0.00 178.15 179.69 1ngg h GLN 347 N 0.46 0.74 0.62 2.37 4.20 -0.69 -2.18 115.11 120.64 1ngg h GLN 347 Ca -0.03 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1ngg h GLN 347 Cb 1.28 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1ngg h GLN 347 CO 0.14 0.76 -0.33 -0.22 -0.67 0.00 0.00 178.83 178.50 1ngg h LYS 348 N 0.60 -0.85 -1.02 1.46 3.64 -0.99 -2.09 116.57 117.33 1ngg h LYS 348 Ca 0.14 0.06 0.25 0.00 -1.27 0.00 0.00 60.65 59.82 1ngg h LYS 348 Cb 0.37 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.27 1ngg h LYS 348 CO 0.01 -0.57 0.62 1.25 -2.27 0.00 0.00 179.45 178.49 1ngg h LEU 349 N -0.88 0.62 -0.03 5.20 5.85 -1.25 -0.55 115.31 124.27 1ngg h LEU 349 Ca -0.08 0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.57 1ngg h LEU 349 Cb 0.70 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.76 1ngg h LEU 349 CO 0.11 0.11 -0.72 0.25 -0.34 0.00 0.00 178.44 177.85 1ngg h LEU 350 N 0.54 0.69 -0.06 2.25 6.46 -1.16 -2.89 115.31 121.15 1ngg h LEU 350 Ca 0.63 -0.72 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1ngg h LEU 350 Cb 1.29 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1ngg h LEU 350 CO -0.43 1.31 0.03 1.56 -0.62 0.00 0.00 178.44 180.30 1ngg h GLN 351 N 0.13 0.08 -0.82 1.25 4.20 -0.56 -1.30 115.11 118.09 1ngg h GLN 351 Ca -0.08 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.76 1ngg h GLN 351 Cb 1.39 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.07 1ngg h GLN 351 CO 0.14 0.17 0.40 -0.44 -0.67 0.00 0.00 178.83 178.44 1ngg h ASP 352 N -0.03 0.46 -0.60 1.46 3.32 -1.23 0.18 116.42 119.97 1ngg h ASP 352 Ca 0.02 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1ngg h ASP 352 Cb 0.12 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1ngg h ASP 352 CO -0.00 0.19 0.22 0.15 -1.72 0.00 0.00 179.24 178.07 1ngg h PHE 353 N 0.57 0.96 -0.78 4.55 3.57 -1.23 -1.65 116.94 122.93 1ngg h PHE 353 Ca 0.45 -0.07 -0.41 0.00 3.53 0.00 0.00 57.97 61.46 1ngg h PHE 353 Cb 0.65 -0.29 -0.24 0.00 2.79 0.00 0.00 35.95 38.86 1ngg h PHE 353 CO -0.11 0.76 0.53 1.19 -2.23 0.00 0.00 178.31 178.44 1ngg n PHE 354 N -4.29 2.41 -4.16 0.41 3.72 0.42 -4.92 117.46 111.06 1ngg n PHE 354 Ca 0.05 -1.62 -0.31 0.00 -0.05 0.00 0.00 57.45 55.52 1ngg n PHE 354 Cb 0.20 -0.82 -0.04 0.00 -0.94 0.00 0.00 39.48 37.87 1ngg n PHE 354 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ngg n ASN 355 N -0.76 -1.12 0.00 4.37 5.03 -0.34 -1.41 115.26 121.02 1ngg n ASN 355 Ca 0.47 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1ngg n ASN 355 Cb 1.37 -2.56 0.00 0.00 -1.02 0.00 0.00 39.78 37.57 1ngg n ASN 355 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ngg n GLY 356 N -1.85 0.80 3.71 7.41 0.00 -0.02 -5.00 105.19 110.23 1ngg n GLY 356 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1ngg n GLY 356 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ngg n LYS 357 N -2.17 1.79 -2.45 1.61 4.81 -0.50 -4.93 118.16 116.32 1ngg n LYS 357 Ca 0.00 0.64 -0.41 0.00 -0.87 0.00 0.00 58.31 57.67 1ngg n LYS 357 Cb 0.00 -2.42 -0.04 0.00 0.02 0.00 0.00 35.03 32.59 1ngg n LYS 357 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1ngg s GLU 358 N -2.43 4.55 0.02 1.64 4.04 -1.26 -4.78 118.70 120.47 1ngg s GLU 358 Ca 0.65 1.78 -0.16 0.00 0.04 0.00 0.00 54.97 57.28 1ngg s GLU 358 Cb -0.47 -3.26 -0.06 0.00 0.02 0.00 0.00 34.13 30.36 1ngg s GLU 358 CO 0.55 0.00 0.47 -0.51 -1.84 0.00 0.00 175.26 173.92 1ngg s LEU 359 N -0.30 4.48 -0.35 1.83 1.02 -1.26 -4.64 118.68 119.46 1ngg s LEU 359 Ca 0.51 1.05 -0.26 0.00 0.02 0.00 0.00 54.13 55.46 1ngg s LEU 359 Cb -0.31 -2.70 0.01 0.00 0.02 0.00 0.00 46.19 43.22 1ngg s LEU 359 CO 0.36 0.29 0.91 0.20 0.02 0.00 0.00 176.35 178.12 1ngg s ASN 360 N -0.98 6.70 -0.03 2.29 0.01 -0.33 -4.84 114.94 117.77 1ngg s ASN 360 Ca 0.26 0.63 0.04 0.00 -0.71 0.00 0.00 52.86 53.08 1ngg s ASN 360 Cb -0.18 -2.46 0.08 0.00 0.41 0.00 0.00 41.25 39.11 1ngg s ASN 360 CO 0.15 -0.80 1.06 2.29 -1.51 0.00 0.00 177.10 178.29 1ngg n LYS 361 N 6.65 0.13 0.10 -0.60 2.85 -1.26 -1.91 118.16 124.11 1ngg n LYS 361 Ca 0.07 -1.15 -0.04 0.00 -1.05 0.00 0.00 58.31 56.14 1ngg n LYS 361 Cb 0.48 0.42 0.02 0.00 -0.65 0.00 0.00 35.03 35.30 1ngg n LYS 361 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ngg h SER 362 N 0.21 0.00 -3.32 -5.58 4.64 -1.97 -3.43 113.55 104.10 1ngg h SER 362 Ca -0.52 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.23 1ngg h SER 362 Cb 1.45 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.47 1ngg h SER 362 CO -0.24 0.82 -0.06 -0.63 -0.87 0.00 0.00 176.83 175.85 1ngg s ILE 363 N -3.14 5.10 -0.34 0.95 1.01 -1.26 -4.99 121.20 118.53 1ngg s ILE 363 Ca -0.00 1.13 -0.41 0.00 0.00 0.00 0.00 60.65 61.37 1ngg s ILE 363 Cb 0.11 -3.89 -0.16 0.00 0.01 0.00 0.00 42.46 38.53 1ngg s ILE 363 CO 0.79 0.33 1.79 0.59 0.00 0.00 0.00 174.94 178.44 1ngg n ASN 364 N 3.50 2.07 0.11 3.58 3.02 -1.26 -4.77 115.26 121.50 1ngg n ASN 364 Ca -0.06 1.00 0.20 0.00 -0.03 0.00 0.00 54.58 55.70 1ngg n ASN 364 Cb 0.51 -1.09 0.75 0.00 -0.61 0.00 0.00 39.78 39.35 1ngg n ASN 364 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ngg h PRO 365 N 7.49 0.00 -0.01 3.52 0.13 -1.85 0.22 132.00 141.50 1ngg h PRO 365 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ngg h PRO 365 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ngg h PRO 365 CO 0.98 0.00 -0.11 -0.40 -0.23 0.00 0.00 178.00 178.24 1ngg n ASP 366 N -3.73 1.14 -0.01 1.44 5.75 -1.26 -0.28 116.55 119.60 1ngg n ASP 366 Ca 0.07 -1.14 0.02 0.00 -0.01 0.00 0.00 54.79 53.72 1ngg n ASP 366 Cb 0.58 0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 1ngg n ASP 366 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ngg n GLU 367 N -0.31 5.50 -0.12 0.11 1.02 0.65 -4.77 120.64 122.71 1ngg n GLU 367 Ca 0.16 -0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1ngg n GLU 367 Cb 0.33 -0.69 0.03 0.00 -0.02 0.00 0.00 31.44 31.09 1ngg n GLU 367 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ngg h ALA 368 N 0.53 0.47 -0.09 0.62 0.00 -1.30 0.09 119.26 119.58 1ngg h ALA 368 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ngg h ALA 368 Cb 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ngg h ALA 368 CO 0.00 -0.25 0.04 0.28 0.00 0.00 0.00 179.25 179.32 1ngg h VAL 369 N 0.30 1.11 -0.67 0.00 2.07 -1.86 -0.99 116.25 116.21 1ngg h VAL 369 Ca 0.18 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ngg h VAL 369 Cb 0.16 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1ngg h VAL 369 CO -0.19 0.09 0.40 0.00 0.02 0.00 0.00 177.57 177.89 1ngg h ALA 370 N 0.92 0.89 -0.19 1.67 0.00 -1.82 -1.26 119.26 119.46 1ngg h ALA 370 Ca 0.03 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ngg h ALA 370 Cb 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ngg h ALA 370 CO -0.00 0.12 -0.08 -0.92 0.00 0.00 0.00 179.25 178.36 1ngg h TYR 371 N 0.75 -0.20 -0.49 0.00 5.03 -0.68 -1.26 116.97 120.12 1ngg h TYR 371 Ca 0.29 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.54 1ngg h TYR 371 Cb 0.10 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1ngg h TYR 371 CO -0.06 -0.14 0.01 0.78 -1.32 0.00 0.00 178.16 177.44 1ngg h GLY 372 N -0.06 0.88 1.56 1.82 0.00 -0.64 -2.63 103.07 104.00 1ngg h GLY 372 Ca 0.10 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1ngg h GLY 372 CO -0.23 0.54 -0.24 0.00 0.00 0.00 0.00 176.54 176.61 1ngg h ALA 373 N 1.25 1.09 -0.50 3.60 0.00 -0.83 -1.44 119.26 122.42 1ngg h ALA 373 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ngg h ALA 373 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ngg h ALA 373 CO 0.02 0.56 0.25 0.00 0.00 0.00 0.00 179.25 180.08 1ngg h ALA 374 N 1.29 0.65 -0.01 0.00 0.00 -0.89 0.42 119.26 120.71 1ngg h ALA 374 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ngg h ALA 374 Cb 0.66 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ngg h ALA 374 CO 0.05 0.19 0.00 0.28 0.00 0.00 0.00 179.25 179.77 1ngg h VAL 375 N 0.67 1.16 -0.97 0.00 2.07 -1.27 -0.59 116.25 117.32 1ngg h VAL 375 Ca 0.17 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1ngg h VAL 375 Cb 0.09 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1ngg h VAL 375 CO -0.02 0.13 0.63 -0.61 0.02 0.00 0.00 177.57 177.71 1ngg h GLN 376 N -0.18 1.16 -0.63 1.57 5.75 -0.99 -1.23 115.11 120.55 1ngg h GLN 376 Ca 0.00 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1ngg h GLN 376 Cb 0.20 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1ngg h GLN 376 CO -0.00 0.77 0.23 0.00 -2.65 0.00 0.00 178.83 177.18 1ngg h ALA 377 N 1.41 0.83 -0.05 3.38 0.00 0.05 -1.85 119.26 123.03 1ngg h ALA 377 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ngg h ALA 377 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ngg h ALA 377 CO -0.14 0.46 -0.07 0.00 0.00 0.00 0.00 179.25 179.50 1ngg h ALA 378 N 1.09 -0.03 0.00 0.00 0.00 0.03 -2.57 119.26 117.78 1ngg h ALA 378 Ca 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1ngg h ALA 378 Cb 0.24 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ngg h ALA 378 CO -0.01 -0.55 -0.39 -0.84 0.00 0.00 0.00 179.25 177.46 1ngg h ILE 379 N -0.10 1.24 0.00 0.00 3.07 -1.16 -2.72 117.51 117.84 1ngg h ILE 379 Ca 0.05 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.09 1ngg h ILE 379 Cb 0.17 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 1ngg h ILE 379 CO -0.11 0.38 0.00 0.18 -1.05 0.00 0.00 178.15 177.55 1ngg n LEU 380 N -4.01 0.00 -0.38 0.16 4.32 -0.71 -5.12 117.00 111.26 1ngg n LEU 380 Ca -0.02 0.41 0.05 0.00 -0.02 0.00 0.00 56.01 56.43 1ngg n LEU 380 Cb 0.43 -0.41 0.04 0.00 -1.62 0.00 0.00 43.42 41.86 1ngg n LEU 380 CO 0.39 -0.17 0.40 -1.20 -1.22 0.00 0.00 177.39 175.58