#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsi s GLN 3 N 0.00 0.51 -0.31 5.55 -2.07 -0.17 -5.00 119.66 118.16 2gsi s GLN 3 Ca 0.00 -0.15 0.03 0.00 -1.82 0.00 0.00 55.36 53.43 2gsi s GLN 3 Cb 0.00 0.23 0.09 0.00 -1.09 0.00 0.00 33.01 32.24 2gsi s GLN 3 CO 0.00 -0.21 0.00 -0.51 -1.32 0.00 0.00 175.29 173.25 2gsi s LEU 4 N -2.13 4.17 -0.26 2.60 1.43 -1.26 -1.24 118.68 121.98 2gsi s LEU 4 Ca 0.07 -1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 51.12 2gsi s LEU 4 Cb -0.01 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2gsi s LEU 4 CO -0.06 -0.32 0.54 -1.58 0.23 0.00 0.00 176.35 175.16 2gsi s GLN 5 N 1.01 4.05 0.09 1.70 2.00 -0.94 -3.73 119.66 123.85 2gsi s GLN 5 Ca 0.04 0.34 -0.14 0.00 -2.00 0.00 0.00 55.36 53.60 2gsi s GLN 5 Cb -0.19 -3.66 -0.06 0.00 0.80 0.00 0.00 33.01 29.89 2gsi s GLN 5 CO -0.08 -0.38 0.48 -0.65 -0.50 0.00 0.00 175.29 174.17 2gsi s GLN 6 N 2.35 3.93 0.69 1.67 -0.21 -1.26 -2.09 119.66 124.75 2gsi s GLN 6 Ca 0.22 0.41 -0.17 0.00 0.02 0.00 0.00 55.36 55.85 2gsi s GLN 6 Cb -0.16 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 2gsi s GLN 6 CO 0.09 0.56 0.55 -1.13 -2.12 0.00 0.00 175.29 173.24 2gsi n SER 7 N 1.10 -1.06 -3.24 5.90 3.41 -0.36 -4.91 113.62 114.47 2gsi n SER 7 Ca -0.08 0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 58.93 2gsi n SER 7 Cb 0.52 -1.22 0.20 0.00 -0.26 0.00 0.00 64.21 63.45 2gsi n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gsi n GLY 8 N 1.65 -3.16 3.83 5.00 0.00 -1.26 -4.60 105.19 106.65 2gsi n GLY 8 Ca 0.10 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2gsi n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsi s ALA 9 N -2.65 2.72 -0.07 4.61 0.00 -1.26 -4.75 121.76 120.36 2gsi s ALA 9 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2gsi s ALA 9 Cb -0.07 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.94 2gsi s ALA 9 CO 0.41 -1.17 -0.05 -1.21 0.00 0.00 0.00 175.76 173.73 2gsi s GLU 10 N -5.11 1.11 -0.31 0.00 0.41 -0.08 -4.99 118.70 109.73 2gsi s GLU 10 Ca 0.58 -0.14 -0.04 0.00 -0.41 0.00 0.00 54.97 54.95 2gsi s GLU 10 Cb -0.13 -1.17 0.04 0.00 -1.78 0.00 0.00 34.13 31.08 2gsi s GLU 10 CO 0.55 -0.17 0.05 -1.17 -0.49 0.00 0.00 175.26 174.03 2gsi s LEU 11 N 1.36 4.04 0.08 1.80 2.96 -1.26 -0.64 118.68 127.02 2gsi s LEU 11 Ca -0.03 -1.12 0.04 0.00 -0.22 0.00 0.00 54.13 52.80 2gsi s LEU 11 Cb -0.14 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2gsi s LEU 11 CO -0.03 -0.28 -0.12 0.68 -1.32 0.00 0.00 176.35 175.29 2gsi s VAL 12 N 1.36 1.00 0.54 1.68 -7.23 -0.49 -4.97 120.40 112.28 2gsi s VAL 12 Ca -0.02 -1.44 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 2gsi s VAL 12 Cb -0.19 -1.16 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 2gsi s VAL 12 CO 0.01 -0.38 1.04 -0.13 -0.31 0.00 0.00 175.10 175.33 2gsi s ARG 13 N -2.19 3.57 -0.06 4.82 0.52 -1.26 -1.43 118.95 122.92 2gsi s ARG 13 Ca 0.01 1.24 -0.36 0.00 -0.52 0.00 0.00 55.73 56.10 2gsi s ARG 13 Cb -0.07 -2.07 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 2gsi s ARG 13 CO 0.01 -0.61 1.73 0.45 0.02 0.00 0.00 175.30 176.90 2gsi n SER 14 N -1.56 2.93 0.00 0.23 2.88 -1.26 -2.47 113.62 114.37 2gsi n SER 14 Ca 0.09 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2gsi n SER 14 Cb 0.53 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2gsi n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gsi n GLY 15 N 3.94 2.94 3.50 0.46 0.00 0.36 -4.88 105.19 111.51 2gsi n GLY 15 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2gsi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsi s ALA 16 N -2.37 0.08 0.26 4.61 0.00 -1.03 -3.58 121.76 119.73 2gsi s ALA 16 Ca 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 51.96 51.32 2gsi s ALA 16 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 2gsi s ALA 16 CO 0.00 -3.86 -0.17 0.45 0.00 0.00 0.00 175.76 172.18 2gsi s SER 17 N -3.45 3.78 -0.02 0.00 0.15 -1.26 -2.12 113.70 110.78 2gsi s SER 17 Ca 0.69 -0.90 -0.19 0.00 0.70 0.00 0.00 55.95 56.25 2gsi s SER 17 Cb -0.14 -0.42 0.04 0.00 -1.71 0.00 0.00 66.02 63.79 2gsi s SER 17 CO 0.58 0.05 0.41 0.54 1.20 0.00 0.00 173.24 176.02 2gsi s VAL 18 N -2.27 0.04 -0.25 4.45 0.11 -0.69 -5.01 120.40 116.78 2gsi s VAL 18 Ca 0.28 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2gsi s VAL 18 Cb -0.06 -0.74 0.05 0.00 -1.53 0.00 0.00 36.38 34.10 2gsi s VAL 18 CO 0.15 -0.19 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.85 2gsi s LYS 19 N -1.38 2.35 0.29 1.54 2.20 -1.26 -0.75 119.74 122.72 2gsi s LYS 19 Ca -0.12 -1.28 -0.14 0.00 -0.36 0.00 0.00 55.97 54.07 2gsi s LYS 19 Cb -0.04 -2.85 -0.08 0.00 -1.51 0.00 0.00 37.83 33.35 2gsi s LYS 19 CO 0.05 -0.52 0.69 -0.51 -0.36 0.00 0.00 175.35 174.70 2gsi s LEU 20 N 1.13 4.12 0.24 5.43 1.43 -0.19 -4.93 118.68 125.91 2gsi s LEU 20 Ca -0.07 1.20 0.11 0.00 -1.03 0.00 0.00 54.13 54.34 2gsi s LEU 20 Cb -0.19 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 2gsi s LEU 20 CO -0.06 -0.15 -0.20 -0.94 0.23 0.00 0.00 176.35 175.23 2gsi s SER 21 N -2.22 3.36 -0.13 2.29 1.04 -1.26 -1.88 113.70 114.90 2gsi s SER 21 Ca 0.51 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 2gsi s SER 21 Cb -0.11 -0.26 0.06 0.00 0.10 0.00 0.00 66.02 65.81 2gsi s SER 21 CO 0.19 0.02 0.27 0.00 0.98 0.00 0.00 173.24 174.70 2gsi s THR 23 N 2.18 1.24 0.26 0.00 -1.32 -0.89 0.21 115.64 117.32 2gsi s THR 23 Ca -0.01 -0.43 -0.22 0.00 -1.21 0.00 0.00 61.69 59.81 2gsi s THR 23 Cb -0.12 -1.21 -0.09 0.00 -1.51 0.00 0.00 72.50 69.58 2gsi s THR 23 CO -0.09 0.40 0.82 0.00 -2.21 0.00 0.00 174.62 173.54 2gsi s ALA 24 N 1.53 3.33 -0.04 11.08 0.00 -1.18 -2.22 121.76 134.25 2gsi s ALA 24 Ca 0.03 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 2gsi s ALA 24 Cb -0.13 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.05 2gsi s ALA 24 CO -0.08 0.26 0.08 -1.54 0.00 0.00 0.00 175.76 174.48 2gsi s SER 25 N -1.63 0.66 0.00 0.00 1.04 -0.38 -4.86 113.70 108.54 2gsi s SER 25 Ca 0.46 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2gsi s SER 25 Cb -0.18 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2gsi s SER 25 CO 0.22 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2gsi n GLY 26 N 4.89 1.35 3.32 7.32 0.00 -1.26 -1.00 105.19 119.81 2gsi n GLY 26 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2gsi n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gsi s PHE 27 N -1.53 0.50 -0.17 1.61 -0.12 -1.26 -4.92 117.98 112.09 2gsi s PHE 27 Ca 0.00 -0.86 -0.07 0.00 -0.05 0.00 0.00 56.93 55.95 2gsi s PHE 27 Cb 0.00 -0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 2gsi s PHE 27 CO 0.00 -0.71 0.07 0.54 -0.05 0.00 0.00 175.22 175.07 2gsi s ASN 28 N -2.99 5.70 0.59 1.98 6.03 -1.26 -4.88 114.94 120.10 2gsi s ASN 28 Ca 0.20 0.13 0.32 0.00 -1.03 0.00 0.00 52.86 52.47 2gsi s ASN 28 Cb 0.04 -1.94 1.24 0.00 -3.03 0.00 0.00 41.25 37.56 2gsi s ASN 28 CO 0.02 0.21 1.54 0.40 -2.03 0.00 0.00 177.10 177.24 2gsi h ILE 29 N 4.72 0.13 0.00 0.54 2.04 -1.95 0.75 117.51 123.74 2gsi h ILE 29 Ca -0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2gsi h ILE 29 Cb 1.17 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2gsi h ILE 29 CO 0.69 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.95 2gsi h LYS 30 N 0.00 0.00 -0.03 2.37 1.57 -1.93 -2.72 116.57 115.83 2gsi h LYS 30 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2gsi h LYS 30 Cb 2.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.85 2gsi h LYS 30 CO -0.01 0.00 -0.09 -0.25 -0.57 0.00 0.00 179.45 178.54 2gsi n ASP 31 N -2.33 2.81 -4.47 0.86 8.00 0.26 -4.04 116.55 117.63 2gsi n ASP 31 Ca 0.02 -1.90 -0.24 0.00 0.71 0.00 0.00 54.79 53.37 2gsi n ASP 31 Cb 0.22 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.31 2gsi n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2gsi s TYR 32 N -2.09 2.07 0.04 1.24 1.51 -1.03 -4.84 117.35 114.25 2gsi s TYR 32 Ca 0.26 -0.93 -0.12 0.00 -1.01 0.00 0.00 57.07 55.27 2gsi s TYR 32 Cb 0.20 -1.41 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 2gsi s TYR 32 CO 0.35 0.09 0.40 0.71 -1.11 0.00 0.00 175.55 176.00 2gsi s TYR 33 N -3.12 3.66 -0.28 2.71 2.02 -0.44 -4.27 117.35 117.62 2gsi s TYR 33 Ca 0.33 0.90 -0.08 0.00 -0.37 0.00 0.00 57.07 57.84 2gsi s TYR 33 Cb 0.08 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2gsi s TYR 33 CO 0.15 0.59 0.10 1.41 -1.57 0.00 0.00 175.55 176.23 2gsi s MET 34 N -1.46 3.43 0.14 -0.62 1.75 0.50 -1.86 119.30 121.19 2gsi s MET 34 Ca 0.28 -0.64 0.03 0.00 -1.25 0.00 0.00 55.69 54.11 2gsi s MET 34 Cb -0.15 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.05 2gsi s MET 34 CO 0.15 -0.32 0.21 0.71 -0.65 0.00 0.00 175.02 175.12 2gsi s TYR 35 N 1.59 3.34 -0.02 4.11 1.51 -0.52 -0.94 117.35 126.43 2gsi s TYR 35 Ca 0.05 0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.24 2gsi s TYR 35 Cb -0.16 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 2gsi s TYR 35 CO 0.04 0.52 -0.18 -1.58 -1.11 0.00 0.00 175.55 173.25 2gsi s TRP 36 N -1.71 1.63 -0.04 2.71 0.52 -0.95 -0.52 118.94 120.58 2gsi s TRP 36 Ca 0.33 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.14 2gsi s TRP 36 Cb -0.11 -1.06 -0.00 0.00 -1.15 0.00 0.00 33.47 31.15 2gsi s TRP 36 CO 0.26 -0.06 -0.15 0.08 0.02 0.00 0.00 176.95 177.10 2gsi s VAL 37 N -0.31 1.25 -0.11 4.03 1.01 -0.05 -1.64 120.40 124.58 2gsi s VAL 37 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2gsi s VAL 37 Cb -0.08 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2gsi s VAL 37 CO -0.00 0.37 0.10 -0.75 0.00 0.00 0.00 175.10 174.82 2gsi s LYS 38 N 0.09 3.33 -0.53 2.72 2.20 0.15 -1.53 119.74 126.17 2gsi s LYS 38 Ca -0.04 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.41 2gsi s LYS 38 Cb -0.11 -3.09 0.17 0.00 -1.51 0.00 0.00 37.83 33.30 2gsi s LYS 38 CO 0.02 0.75 0.40 -1.17 -0.36 0.00 0.00 175.35 174.99 2gsi s LEU 39 N -0.96 2.77 0.32 5.43 2.96 -0.58 -0.21 118.68 128.40 2gsi s LEU 39 Ca 0.14 -3.39 -0.29 0.00 -0.22 0.00 0.00 54.13 50.38 2gsi s LEU 39 Cb -0.12 -0.91 -0.10 0.00 0.50 0.00 0.00 46.19 45.56 2gsi s LEU 39 CO 0.03 -0.14 1.30 -0.13 -1.32 0.00 0.00 176.35 176.10 2gsi s ARG 40 N -0.55 4.37 0.38 1.98 0.52 -1.24 -3.18 118.95 121.23 2gsi s ARG 40 Ca 0.30 2.20 -0.28 0.00 -0.52 0.00 0.00 55.73 57.42 2gsi s ARG 40 Cb 0.01 -3.08 -0.11 0.00 0.52 0.00 0.00 34.95 32.29 2gsi s ARG 40 CO -0.19 -0.18 1.45 -2.14 0.02 0.00 0.00 175.30 174.26 2gsi s PRO 41 N -1.67 4.11 -0.91 3.54 0.02 -1.26 -0.79 135.00 138.03 2gsi s PRO 41 Ca 0.49 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.01 2gsi s PRO 41 Cb -0.39 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2gsi s PRO 41 CO 0.52 -0.51 0.00 0.39 -0.33 0.00 0.00 177.00 177.07 2gsi n GLU 42 N 0.44 -1.82 -2.75 5.54 1.02 -1.26 -4.93 120.64 116.88 2gsi n GLU 42 Ca 0.01 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 57.58 2gsi n GLU 42 Cb 0.40 -4.89 -0.02 0.00 -0.02 0.00 0.00 31.44 26.90 2gsi n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gsi n GLN 43 N -2.19 1.07 -1.21 3.49 6.02 0.03 -5.15 117.38 119.43 2gsi n GLN 43 Ca -0.10 -1.07 -0.30 0.00 -0.01 0.00 0.00 57.00 55.52 2gsi n GLN 43 Cb 0.45 0.49 0.14 0.00 1.02 0.00 0.00 30.24 32.34 2gsi n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2gsi s GLY 44 N -1.79 1.61 0.70 1.08 0.00 -1.26 -4.63 107.32 103.03 2gsi s GLY 44 Ca 0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 2gsi s GLY 44 CO 0.03 0.40 1.07 1.08 0.00 0.00 0.00 173.10 175.68 2gsi s LEU 45 N -6.23 3.18 -0.15 0.66 1.43 -1.26 -3.69 118.68 112.63 2gsi s LEU 45 Ca 0.64 1.75 -0.07 0.00 -1.03 0.00 0.00 54.13 55.41 2gsi s LEU 45 Cb -0.18 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.59 2gsi s LEU 45 CO 0.57 -1.60 0.34 -1.61 0.23 0.00 0.00 176.35 174.28 2gsi s GLU 46 N -4.75 0.30 -0.27 1.70 2.02 0.70 -4.95 118.70 113.44 2gsi s GLU 46 Ca 0.61 0.73 -0.29 0.00 0.02 0.00 0.00 54.97 56.04 2gsi s GLU 46 Cb -0.16 -0.02 0.01 0.00 0.10 0.00 0.00 34.13 34.07 2gsi s GLU 46 CO 0.51 -0.18 1.06 -1.58 0.02 0.00 0.00 175.26 175.08 2gsi s TRP 47 N 1.60 3.25 0.09 1.61 0.51 -1.26 0.32 118.94 125.06 2gsi s TRP 47 Ca -0.07 1.33 -0.05 0.00 -2.12 0.00 0.00 56.10 55.19 2gsi s TRP 47 Cb -0.10 -3.48 -0.22 0.00 -0.81 0.00 0.00 33.47 28.86 2gsi s TRP 47 CO -0.11 -0.62 1.19 0.82 -0.51 0.00 0.00 176.95 177.72 2gsi h ILE 48 N 5.59 1.45 0.00 2.03 2.04 -1.68 -3.43 117.51 123.51 2gsi h ILE 48 Ca -0.20 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 62.83 2gsi h ILE 48 Cb 1.06 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 2gsi h ILE 48 CO 1.01 0.83 0.00 0.61 0.00 0.00 0.00 178.15 180.60 2gsi n GLY 49 N 1.35 0.82 3.44 5.37 0.00 -1.25 -0.40 105.19 114.51 2gsi n GLY 49 Ca -0.08 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 2gsi n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2gsi s TRP 50 N -3.51 -0.53 0.10 1.61 1.48 -0.72 -2.24 118.94 115.13 2gsi s TRP 50 Ca 0.00 0.56 0.09 0.00 -1.06 0.00 0.00 56.10 55.70 2gsi s TRP 50 Cb 0.00 0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 32.74 2gsi s TRP 50 CO 0.00 -0.73 -0.24 -1.50 -4.06 0.00 0.00 176.95 170.42 2gsi s ILE 51 N -2.77 1.96 -0.45 0.66 2.07 -0.12 -1.63 121.20 120.92 2gsi s ILE 51 Ca -0.04 -1.58 -0.09 0.00 -1.41 0.00 0.00 60.65 57.54 2gsi s ILE 51 Cb -0.01 -1.74 0.11 0.00 0.13 0.00 0.00 42.46 40.95 2gsi s ILE 51 CO -0.04 0.06 0.31 -0.62 -1.91 0.00 0.00 174.94 172.74 2gsi s ASP 52 N -1.83 5.65 0.64 4.50 -1.08 -0.25 -0.37 116.67 123.94 2gsi s ASP 52 Ca 0.10 -1.80 0.41 0.00 -0.52 0.00 0.00 52.55 50.74 2gsi s ASP 52 Cb -0.10 -1.99 2.22 0.00 -1.46 0.00 0.00 42.92 41.59 2gsi s ASP 52 CO 0.04 -0.64 2.32 -0.65 0.52 0.00 0.00 175.17 176.77 2gsi h PRO 52 N 8.41 0.00 0.00 4.34 0.11 -1.76 1.12 132.00 144.22 2gsi h PRO 52 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 2gsi h PRO 52 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2gsi h PRO 52 CO 0.82 0.01 -0.13 1.49 -0.21 0.00 0.00 178.00 179.97 2gsi h GLU 53 N 0.00 0.00 0.00 1.05 4.81 -1.83 -3.39 114.58 115.22 2gsi h GLU 53 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2gsi h GLU 53 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2gsi h GLU 53 CO 0.00 0.13 0.00 0.27 -0.73 0.00 0.00 179.01 178.68 2gsi n ASN 54 N -3.60 0.00 0.00 1.04 0.23 0.01 -5.03 115.26 107.91 2gsi n ASN 54 Ca -0.02 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.35 2gsi n ASN 54 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2gsi n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gsi n GLY 55 N 0.00 0.88 3.68 4.83 0.00 0.37 -4.98 105.19 109.97 2gsi n GLY 55 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2gsi n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gsi n ASP 56 N 0.00 3.39 -4.34 1.61 8.00 -1.24 -4.81 116.55 119.16 2gsi n ASP 56 Ca 0.00 1.05 -0.22 0.00 0.71 0.00 0.00 54.79 56.33 2gsi n ASP 56 Cb 0.00 -1.46 -0.11 0.00 -0.02 0.00 0.00 41.12 39.53 2gsi n ASP 56 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gsi s THR 57 N 1.62 1.87 -0.13 -3.53 -4.23 -1.26 -1.09 115.64 108.89 2gsi s THR 57 Ca 0.81 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 2gsi s THR 57 Cb -0.63 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.37 2gsi s THR 57 CO 0.39 -0.33 0.29 -0.70 -0.54 0.00 0.00 174.62 173.73 2gsi s GLU 58 N -2.88 0.24 0.06 3.99 2.12 -0.65 -5.02 118.70 116.56 2gsi s GLU 58 Ca 0.17 0.64 0.06 0.00 0.36 0.00 0.00 54.97 56.20 2gsi s GLU 58 Cb -0.05 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 2gsi s GLU 58 CO 0.07 -0.19 -0.12 0.71 -0.54 0.00 0.00 175.26 175.20 2gsi s TYR 59 N 1.53 2.72 0.26 5.30 4.12 -1.26 -1.75 117.35 128.27 2gsi s TYR 59 Ca -0.07 -0.16 -0.30 0.00 0.02 0.00 0.00 57.07 56.56 2gsi s TYR 59 Cb -0.10 -1.49 -0.10 0.00 -1.52 0.00 0.00 41.96 38.76 2gsi s TYR 59 CO -0.10 0.36 1.34 0.08 0.02 0.00 0.00 175.55 177.26 2gsi s VAL 60 N -1.07 2.89 0.43 0.71 1.01 0.46 -4.80 120.40 120.02 2gsi s VAL 60 Ca 0.18 0.79 0.27 0.00 0.00 0.00 0.00 61.98 63.22 2gsi s VAL 60 Cb -0.11 -3.50 0.46 0.00 0.00 0.00 0.00 36.38 33.23 2gsi s VAL 60 CO 0.10 0.15 1.64 -0.65 0.00 0.00 0.00 175.10 176.33 2gsi h PRO 61 N 4.56 0.12 0.00 2.72 0.11 -1.96 0.52 132.00 138.08 2gsi h PRO 61 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gsi h PRO 61 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gsi h PRO 61 CO 0.73 0.08 0.00 1.15 -0.21 0.00 0.00 178.00 179.75 2gsi h THR 62 N 0.13 0.00 0.00 -1.15 2.02 -1.96 -3.07 112.91 108.88 2gsi h THR 62 Ca 0.79 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.97 2gsi h THR 62 Cb 2.39 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2gsi h THR 62 CO -0.43 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.95 2gsi n PHE 63 N -2.31 0.00 -1.92 3.16 3.01 0.18 -4.93 117.46 114.64 2gsi n PHE 63 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 2gsi n PHE 63 Cb 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 2gsi n PHE 63 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2gsi s GLN 64 N -0.85 4.18 0.00 -1.08 2.00 -1.07 -0.14 119.66 122.71 2gsi s GLN 64 Ca 0.00 2.32 0.00 0.00 -2.00 0.00 0.00 55.36 55.68 2gsi s GLN 64 Cb 0.00 -3.86 0.00 0.00 0.80 0.00 0.00 33.01 29.95 2gsi s GLN 64 CO 0.00 -0.82 0.00 0.41 -0.50 0.00 0.00 175.29 174.38 2gsi n GLY 65 N 4.14 0.67 0.03 2.59 0.00 -1.26 -4.87 105.19 106.50 2gsi n GLY 65 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 2gsi n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gsi n LYS 66 N -2.00 2.74 -4.21 1.61 3.00 0.81 -4.99 118.16 115.12 2gsi n LYS 66 Ca 0.00 -0.01 -0.16 0.00 -0.00 0.00 0.00 58.31 58.14 2gsi n LYS 66 Cb 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 35.03 33.75 2gsi n LYS 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2gsi s VAL 67 N -2.18 1.13 -0.05 3.15 1.01 -0.90 -4.39 120.40 118.16 2gsi s VAL 67 Ca -0.03 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.22 2gsi s VAL 67 Cb 0.02 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.95 2gsi s VAL 67 CO 0.28 -0.52 0.00 -0.89 0.00 0.00 0.00 175.10 173.98 2gsi s THR 68 N -2.40 0.30 0.05 3.92 2.01 0.22 -4.93 115.64 114.80 2gsi s THR 68 Ca 0.08 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.21 2gsi s THR 68 Cb -0.03 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 2gsi s THR 68 CO 0.01 0.22 0.10 -0.04 -0.69 0.00 0.00 174.62 174.22 2gsi s MET 69 N 1.58 3.01 -0.20 4.92 -1.94 -1.26 -0.64 119.30 124.78 2gsi s MET 69 Ca -0.01 -0.59 -0.21 0.00 -1.71 0.00 0.00 55.69 53.17 2gsi s MET 69 Cb -0.13 -2.81 0.06 0.00 2.01 0.00 0.00 34.83 33.96 2gsi s MET 69 CO -0.03 0.60 0.58 0.95 -0.01 0.00 0.00 175.02 177.10 2gsi s THR 70 N -1.34 0.00 -0.02 2.05 -4.23 -0.99 -5.00 115.64 106.11 2gsi s THR 70 Ca 0.28 -0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2gsi s THR 70 Cb -0.12 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 2gsi s THR 70 CO 0.20 -0.01 -0.13 0.00 -0.54 0.00 0.00 174.62 174.14 2gsi s ALA 71 N 0.14 2.74 -0.49 3.99 0.00 -1.26 -1.43 121.76 125.44 2gsi s ALA 71 Ca -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2gsi s ALA 71 Cb -0.04 -0.97 0.13 0.00 0.00 0.00 0.00 23.12 22.24 2gsi s ALA 71 CO 0.02 0.57 0.27 0.34 0.00 0.00 0.00 175.76 176.96 2gsi s ASP 72 N -1.00 5.07 0.20 0.00 -1.08 0.08 -4.97 116.67 114.96 2gsi s ASP 72 Ca 0.13 -2.45 0.24 0.00 -0.52 0.00 0.00 52.55 49.95 2gsi s ASP 72 Cb -0.11 -1.79 0.91 0.00 -1.46 0.00 0.00 42.92 40.47 2gsi s ASP 72 CO 0.03 -0.42 1.72 0.35 0.52 0.00 0.00 175.17 177.37 2gsi n THR 73 N 3.98 0.71 0.19 1.71 -2.24 -1.26 -0.95 114.28 116.41 2gsi n THR 73 Ca 0.03 0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 2gsi n THR 73 Cb 0.39 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 2gsi n THR 73 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2gsi h SER 74 N 0.00 -0.41 -0.29 3.42 0.02 -1.94 -3.08 113.55 111.28 2gsi h SER 74 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2gsi h SER 74 Cb 0.48 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2gsi h SER 74 CO 0.00 -0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.07 2gsi n SER 75 N -5.19 1.74 -2.26 3.07 3.41 -1.15 -4.90 113.62 108.34 2gsi n SER 75 Ca -0.10 -2.05 -0.12 0.00 -0.26 0.00 0.00 58.87 56.35 2gsi n SER 75 Cb 0.27 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2gsi n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2gsi n ASN 76 N 0.35 -3.65 -4.53 4.04 5.15 -0.29 -4.86 115.26 111.48 2gsi n ASN 76 Ca 0.10 0.22 -0.25 0.00 -0.60 0.00 0.00 54.58 54.06 2gsi n ASN 76 Cb 0.30 -3.16 -0.09 0.00 -0.53 0.00 0.00 39.78 36.29 2gsi n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2gsi s THR 77 N -2.48 2.86 0.15 -0.44 2.01 -0.13 -3.12 115.64 114.48 2gsi s THR 77 Ca 0.00 -2.06 0.07 0.00 0.31 0.00 0.00 61.69 60.01 2gsi s THR 77 Cb 0.00 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 2gsi s THR 77 CO 0.00 -0.28 -0.15 0.00 -0.69 0.00 0.00 174.62 173.49 2gsi s ALA 78 N -2.15 1.73 -0.04 7.40 0.00 0.13 -0.74 121.76 128.09 2gsi s ALA 78 Ca 0.28 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2gsi s ALA 78 Cb -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2gsi s ALA 78 CO 0.15 0.13 -0.02 0.71 0.00 0.00 0.00 175.76 176.74 2gsi s TYR 79 N -2.27 0.56 -0.27 0.00 1.51 -0.51 -0.49 117.35 115.89 2gsi s TYR 79 Ca 0.13 -0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 2gsi s TYR 79 Cb -0.04 -0.57 0.03 0.00 -0.11 0.00 0.00 41.96 41.27 2gsi s TYR 79 CO 0.05 -0.18 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.11 2gsi s LEU 80 N 1.04 3.42 -0.25 -1.29 2.96 -0.79 -2.36 118.68 121.42 2gsi s LEU 80 Ca -0.09 -0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 52.79 2gsi s LEU 80 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2gsi s LEU 80 CO -0.01 -0.16 0.13 -1.58 -1.32 0.00 0.00 176.35 173.41 2gsi s GLN 81 N 1.33 3.90 0.59 1.98 0.74 0.19 -1.02 119.66 127.36 2gsi s GLN 81 Ca -0.01 -0.36 0.07 0.00 0.05 0.00 0.00 55.36 55.12 2gsi s GLN 81 Cb -0.17 -3.47 0.09 0.00 1.10 0.00 0.00 33.01 30.55 2gsi s GLN 81 CO -0.03 -0.06 0.81 -0.51 -0.55 0.00 0.00 175.29 174.95 2gsi s LEU 82 N 1.36 3.14 0.00 3.68 1.43 0.07 -0.61 118.68 127.75 2gsi s LEU 82 Ca 0.06 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2gsi s LEU 82 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2gsi s LEU 82 CO 0.06 -1.39 0.00 -1.54 0.23 0.00 0.00 176.35 173.71 2gsi n SER 82 N -2.33 0.00 -4.75 2.29 3.41 -1.15 -1.71 113.62 109.38 2gsi n SER 82 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 2gsi n SER 82 Cb 0.61 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2gsi n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gsi s LEU 82 N 0.00 4.49 0.49 1.04 1.43 -0.90 -4.61 118.68 120.62 2gsi s LEU 82 Ca 0.00 2.35 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 2gsi s LEU 82 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2gsi s LEU 82 CO 0.00 -0.32 0.01 0.42 0.23 0.00 0.00 176.35 176.69 2gsi s THR 83 N -0.70 1.32 0.55 5.49 -4.23 -1.26 0.14 115.64 116.95 2gsi s THR 83 Ca 0.49 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.23 2gsi s THR 83 Cb -0.34 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.50 2gsi s THR 83 CO 0.42 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 177.42 2gsi h SER 84 N 1.43 0.00 -1.00 3.99 4.64 -1.97 -0.66 113.55 119.99 2gsi h SER 84 Ca -0.44 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.12 2gsi h SER 84 Cb 1.30 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.30 2gsi h SER 84 CO 0.75 0.00 0.64 -0.08 -0.87 0.00 0.00 176.83 177.28 2gsi h GLU 85 N 0.00 0.44 -0.01 4.77 4.57 -1.95 -1.82 114.58 120.59 2gsi h GLU 85 Ca 0.04 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2gsi h GLU 85 Cb 0.21 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2gsi h GLU 85 CO -0.00 0.29 -0.11 -0.25 -1.18 0.00 0.00 179.01 177.77 2gsi n ASP 86 N -4.61 0.63 -4.57 1.04 8.00 -0.25 -4.77 116.55 112.01 2gsi n ASP 86 Ca 0.23 -0.76 -0.44 0.00 0.71 0.00 0.00 54.79 54.53 2gsi n ASP 86 Cb 0.78 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.81 2gsi n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2gsi n THR 87 N -0.78 0.30 -3.64 -3.53 -1.04 -0.69 -4.87 114.28 100.03 2gsi n THR 87 Ca 0.16 -0.44 -0.05 0.00 -2.04 0.00 0.00 64.05 61.68 2gsi n THR 87 Cb 0.28 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.37 2gsi n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gsi s ALA 88 N 8.28 -1.81 -0.10 2.41 0.00 -0.76 -4.71 121.76 125.07 2gsi s ALA 88 Ca 1.03 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 2gsi s ALA 88 Cb -0.43 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 2gsi s ALA 88 CO 0.37 -0.89 0.35 0.08 0.00 0.00 0.00 175.76 175.68 2gsi s VAL 89 N -3.06 5.22 -0.15 0.00 1.01 -1.19 -1.30 120.40 120.92 2gsi s VAL 89 Ca 0.10 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 2gsi s VAL 89 Cb -0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2gsi s VAL 89 CO -0.03 0.45 -0.05 -0.31 0.00 0.00 0.00 175.10 175.16 2gsi s TYR 90 N -0.10 2.98 -0.07 5.22 1.51 0.96 -1.53 117.35 126.32 2gsi s TYR 90 Ca 0.20 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2gsi s TYR 90 Cb -0.14 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2gsi s TYR 90 CO 0.08 -0.09 -0.21 0.71 -1.11 0.00 0.00 175.55 174.93 2gsi s TYR 91 N 0.42 2.56 0.06 2.71 1.51 -0.58 0.67 117.35 124.70 2gsi s TYR 91 Ca -0.05 -0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 55.32 2gsi s TYR 91 Cb -0.15 -1.65 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 2gsi s TYR 91 CO 0.03 -0.14 0.36 0.00 -1.11 0.00 0.00 175.55 174.69 2gsi s ASN 93 N -1.78 1.65 -0.38 0.00 3.84 0.32 -1.27 114.94 117.32 2gsi s ASN 93 Ca 0.32 -0.27 -0.25 0.00 0.21 0.00 0.00 52.86 52.87 2gsi s ASN 93 Cb -0.14 0.09 0.01 0.00 -0.55 0.00 0.00 41.25 40.67 2gsi s ASN 93 CO 0.18 -0.32 0.88 0.00 -2.79 0.00 0.00 177.10 175.05 2gsi s ALA 94 N 2.24 3.39 -0.01 1.71 0.00 0.20 -1.44 121.76 127.85 2gsi s ALA 94 Ca 0.04 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2gsi s ALA 94 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.49 2gsi s ALA 94 CO -0.09 -1.63 0.31 0.20 0.00 0.00 0.00 175.76 174.55 2gsi s GLY 95 N 1.92 -0.16 0.08 0.00 0.00 -0.78 0.78 107.32 109.16 2gsi s GLY 95 Ca 0.36 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 45.28 2gsi s GLY 95 CO 0.19 0.13 0.33 0.54 0.00 0.00 0.00 173.10 174.29 2gsi s VAL 96 N -1.32 0.09 -0.35 1.40 0.11 -0.55 -1.33 120.40 118.45 2gsi s VAL 96 Ca -0.13 -0.71 -0.04 0.00 -2.93 0.00 0.00 61.98 58.17 2gsi s VAL 96 Cb -0.05 -1.11 0.07 0.00 -1.53 0.00 0.00 36.38 33.76 2gsi s VAL 96 CO 0.04 -0.39 0.11 -0.63 -3.33 0.00 0.00 175.10 170.90 2gsi s ILE 97 N -3.30 3.33 0.23 7.04 -1.09 -1.26 -3.24 121.20 122.91 2gsi s ILE 97 Ca 0.00 -1.58 -0.30 0.00 -2.23 0.00 0.00 60.65 56.54 2gsi s ILE 97 Cb 0.01 -3.05 -0.15 0.00 -1.58 0.00 0.00 42.46 37.69 2gsi s ILE 97 CO -0.08 -0.36 1.06 0.35 -1.23 0.00 0.00 174.94 174.67 2gsi n THR 98 N 4.67 1.50 0.22 2.92 -2.24 -1.26 -5.09 114.28 115.00 2gsi n THR 98 Ca -0.09 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2gsi n THR 98 Cb 0.43 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 2gsi n THR 98 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2gsi n MET 99 N 1.21 0.22 -3.64 -0.78 2.81 -1.26 -5.17 117.12 110.51 2gsi n MET 99 Ca 0.12 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.96 2gsi n MET 99 Cb 0.28 -1.23 -0.07 0.00 -0.71 0.00 0.00 33.22 31.50 2gsi n MET 99 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gsi s ALA 100 N -0.26 -2.16 0.07 3.04 0.00 -1.26 -5.34 121.76 115.85 2gsi s ALA 100 Ca 0.00 1.89 0.02 0.00 0.00 0.00 0.00 51.96 53.87 2gsi s ALA 100 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2gsi s ALA 100 CO 0.00 -0.22 -0.08 -1.64 0.00 0.00 0.00 175.76 173.82 2gsi s MET 100 N 0.44 0.70 0.01 0.00 -1.94 -1.20 -5.04 119.30 112.27 2gsi s MET 100 Ca 0.01 -1.03 -0.00 0.00 -1.71 0.00 0.00 55.69 52.96 2gsi s MET 100 Cb -0.05 -0.33 -0.01 0.00 2.01 0.00 0.00 34.83 36.46 2gsi s MET 100 CO -0.11 0.04 -0.01 0.16 -0.01 0.00 0.00 175.02 175.09 2gsi s ASP 101 N -2.22 0.12 0.15 3.03 -4.77 -1.25 -1.48 116.67 110.24 2gsi s ASP 101 Ca 0.00 -0.24 0.09 0.00 -3.30 0.00 0.00 52.55 49.09 2gsi s ASP 101 Cb -0.04 0.06 -0.04 0.00 -1.09 0.00 0.00 42.92 41.81 2gsi s ASP 101 CO -0.01 -0.15 -0.19 -0.31 0.70 0.00 0.00 175.17 175.20 2gsi s TYR 102 N -0.73 1.83 0.01 2.11 1.51 0.23 -4.96 117.35 117.36 2gsi s TYR 102 Ca -0.08 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 2gsi s TYR 102 Cb -0.05 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2gsi s TYR 102 CO -0.00 0.30 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.05 2gsi s TRP 103 N -1.79 0.98 0.97 2.71 0.52 -1.26 -0.63 118.94 120.44 2gsi s TRP 103 Ca 0.13 -0.26 -0.16 0.00 0.02 0.00 0.00 56.10 55.83 2gsi s TRP 103 Cb -0.07 -0.61 0.21 0.00 -1.15 0.00 0.00 33.47 31.85 2gsi s TRP 103 CO 0.06 -0.00 1.33 0.20 0.02 0.00 0.00 176.95 178.56 2gsi s GLY 104 N -0.66 1.80 -0.07 0.98 0.00 -0.40 -4.36 107.32 104.62 2gsi s GLY 104 Ca 0.02 -1.28 0.11 0.00 0.00 0.00 0.00 44.72 43.57 2gsi s GLY 104 CO 0.00 -0.49 1.28 0.61 0.00 0.00 0.00 173.10 174.51 2gsi n GLN 105 N -3.79 2.64 -0.28 2.90 0.00 -1.24 -4.83 117.38 112.77 2gsi n GLN 105 Ca 0.16 -1.72 0.00 0.00 0.00 0.00 0.00 57.00 55.44 2gsi n GLN 105 Cb 0.59 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.20 2gsi n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gsi n GLY 106 N 0.80 -3.17 3.37 2.61 0.00 -1.26 -4.95 105.19 102.59 2gsi n GLY 106 Ca 0.16 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2gsi n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gsi s THR 107 N -3.09 3.32 -0.24 2.61 2.01 0.21 -4.82 115.64 115.63 2gsi s THR 107 Ca 0.00 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 2gsi s THR 107 Cb 0.00 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2gsi s THR 107 CO 0.00 0.48 0.73 0.28 -0.69 0.00 0.00 174.62 175.42 2gsi s THR 108 N 0.75 4.91 -0.16 -0.82 -1.32 -1.26 -0.03 115.64 117.71 2gsi s THR 108 Ca -0.04 1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 61.79 2gsi s THR 108 Cb -0.15 -4.02 -0.00 0.00 -1.51 0.00 0.00 72.50 66.81 2gsi s THR 108 CO 0.02 -0.02 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.59 2gsi s VAL 109 N 2.63 2.81 -0.19 5.08 1.01 -0.42 -0.90 120.40 130.43 2gsi s VAL 109 Ca 0.31 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2gsi s VAL 109 Cb -0.15 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.06 2gsi s VAL 109 CO 0.08 0.50 -0.13 -0.89 0.00 0.00 0.00 175.10 174.67 2gsi s THR 110 N 0.89 1.70 -0.91 3.92 2.01 0.19 -1.83 115.64 121.61 2gsi s THR 110 Ca -0.03 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 2gsi s THR 110 Cb -0.15 -1.70 0.23 0.00 0.01 0.00 0.00 72.50 70.90 2gsi s THR 110 CO -0.01 0.29 0.88 0.42 -0.69 0.00 0.00 174.62 175.51 2gsi s THR 111 N 1.39 5.67 0.01 -0.82 -4.23 -1.26 -1.40 115.64 115.01 2gsi s THR 111 Ca 0.01 -2.68 0.04 0.00 -1.18 0.00 0.00 61.69 57.87 2gsi s THR 111 Cb -0.15 -4.52 -0.01 0.00 1.34 0.00 0.00 72.50 69.16 2gsi s THR 111 CO -0.09 -1.09 -0.11 -0.55 -0.54 0.00 0.00 174.62 172.23 2gsi s SER 112 N 2.01 1.32 -0.96 3.99 0.15 -0.51 -4.59 113.70 115.11 2gsi s SER 112 Ca 0.22 -0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 2gsi s SER 112 Cb -0.10 -0.12 0.33 0.00 -1.71 0.00 0.00 66.02 64.42 2gsi s SER 112 CO -0.09 0.08 1.76 -1.20 1.20 0.00 0.00 173.24 174.99 2gsi n SER 113 N 2.49 7.07 -4.72 5.45 7.64 -1.26 -4.09 113.62 126.20 2gsi n SER 113 Ca -0.15 -3.71 -0.27 0.00 1.01 0.00 0.00 58.87 55.75 2gsi n SER 113 Cb 0.56 -1.09 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 2gsi n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gsi s ALA 114 N -4.22 3.59 0.03 -0.43 0.00 -1.26 -5.09 121.76 114.39 2gsi s ALA 114 Ca 0.41 -1.88 0.04 0.00 0.00 0.00 0.00 51.96 50.54 2gsi s ALA 114 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2gsi s ALA 114 CO -0.16 -0.16 -0.06 0.15 0.00 0.00 0.00 175.76 175.53 2gsi s LYS 115 N -3.87 2.50 -0.85 0.00 1.02 -1.26 -5.02 119.74 112.26 2gsi s LYS 115 Ca 0.34 -0.78 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 2gsi s LYS 115 Cb 0.05 -2.49 -0.11 0.00 -0.52 0.00 0.00 37.83 34.77 2gsi s LYS 115 CO 0.18 0.58 2.23 0.99 -0.92 0.00 0.00 175.35 178.41 2gsi s THR 116 N -1.08 3.17 -0.01 2.17 2.01 -1.26 -4.78 115.64 115.86 2gsi s THR 116 Ca 0.19 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 2gsi s THR 116 Cb -0.11 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2gsi s THR 116 CO 0.10 -0.37 0.61 -0.89 -0.69 0.00 0.00 174.62 173.39 2gsi s THR 117 N 13.18 4.93 0.58 -0.82 2.01 -0.73 -4.94 115.64 129.86 2gsi s THR 117 Ca 0.84 1.28 -0.03 0.00 0.31 0.00 0.00 61.69 64.09 2gsi s THR 117 Cb -0.10 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.48 2gsi s THR 117 CO 0.05 0.39 0.85 -2.16 -0.69 0.00 0.00 174.62 173.06 2gsi s PRO 118 N -0.01 2.65 0.37 4.92 0.04 -1.26 -0.11 135.00 141.60 2gsi s PRO 118 Ca 0.32 -0.38 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 2gsi s PRO 118 Cb -0.18 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 2gsi s PRO 118 CO 0.17 -0.76 0.75 -1.25 0.04 0.00 0.00 177.00 175.95 2gsi s PRO 119 N -4.91 3.85 -0.22 0.56 0.04 -1.26 -4.29 135.00 128.78 2gsi s PRO 119 Ca 0.55 0.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 2gsi s PRO 119 Cb -0.10 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2gsi s PRO 119 CO 0.42 0.05 0.09 -1.12 0.04 0.00 0.00 177.00 176.47 2gsi s SER 120 N -2.83 5.57 -0.31 6.66 0.01 -0.81 -4.93 113.70 117.06 2gsi s SER 120 Ca 0.52 -0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2gsi s SER 120 Cb -0.10 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 2gsi s SER 120 CO 0.26 0.08 0.31 -0.69 0.41 0.00 0.00 173.24 173.61 2gsi s VAL 121 N 0.95 5.21 -0.18 3.43 1.01 -1.26 -2.31 120.40 127.25 2gsi s VAL 121 Ca 0.05 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2gsi s VAL 121 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2gsi s VAL 121 CO 0.03 0.06 0.01 -0.31 0.00 0.00 0.00 175.10 174.89 2gsi s TYR 122 N 1.94 3.10 0.06 5.22 2.02 0.18 -4.92 117.35 124.95 2gsi s TYR 122 Ca 0.11 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 2gsi s TYR 122 Cb -0.16 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 2gsi s TYR 122 CO 0.11 -0.06 1.06 -1.25 -1.57 0.00 0.00 175.55 173.83 2gsi s PRO 123 N 0.65 4.55 -0.46 -1.71 0.04 -1.26 -0.19 135.00 136.61 2gsi s PRO 123 Ca 0.00 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2gsi s PRO 123 Cb -0.14 -3.39 0.09 0.00 0.04 0.00 0.00 34.50 31.10 2gsi s PRO 123 CO 0.02 -0.06 0.36 -0.51 0.04 0.00 0.00 177.00 176.85 2gsi s LEU 124 N 0.70 5.57 0.02 -3.56 1.43 0.15 -4.92 118.68 118.07 2gsi s LEU 124 Ca 0.53 -1.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 2gsi s LEU 124 Cb -0.25 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2gsi s LEU 124 CO 0.29 -0.65 -0.03 0.00 0.23 0.00 0.00 176.35 176.19 2gsi s ALA 125 N 1.50 3.17 0.90 4.21 0.00 -1.26 -1.49 121.76 128.79 2gsi s ALA 125 Ca 0.04 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 2gsi s ALA 125 Cb -0.25 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 2gsi s ALA 125 CO 0.03 0.64 0.06 -0.35 0.00 0.00 0.00 175.76 176.14 2gsi n PRO 126 N 1.33 -0.08 0.03 0.00 -0.04 -1.26 -4.90 135.00 130.08 2gsi n PRO 126 Ca -0.14 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 2gsi n PRO 126 Cb 0.52 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 2gsi n PRO 126 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2gsi h GLY 127 N -1.09 0.72 0.00 0.55 0.00 -1.99 -3.42 103.07 97.84 2gsi h GLY 127 Ca -0.44 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 45.69 2gsi h GLY 127 CO 0.33 1.06 0.00 -1.30 0.00 0.00 0.00 176.54 176.63 2gsi n THR 128 N -3.85 0.00 -4.08 4.70 -2.24 -1.26 -5.00 114.28 102.55 2gsi n THR 128 Ca -0.09 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 2gsi n THR 128 Cb 0.83 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 2gsi n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gsi s ALA 129 N -1.26 3.54 0.00 6.98 0.00 -1.26 -5.07 121.76 124.69 2gsi s ALA 129 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2gsi s ALA 129 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2gsi s ALA 129 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 175.76 175.73 2gsi n ALA 130 N -1.18 -0.36 -0.24 0.00 0.00 -1.26 -5.19 120.51 112.27 2gsi n ALA 130 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2gsi n ALA 130 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2gsi n ALA 130 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gsi n SER 136 N -0.07 -0.24 -4.16 0.00 2.88 -1.26 -4.98 113.62 105.79 2gsi n SER 136 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 2gsi n SER 136 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2gsi n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2gsi s MET 137 N 0.00 1.64 0.08 -1.46 1.00 -1.26 -2.65 119.30 116.65 2gsi s MET 137 Ca 0.00 -1.94 0.05 0.00 0.00 0.00 0.00 55.69 53.80 2gsi s MET 137 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 34.83 34.43 2gsi s MET 137 CO 0.00 -0.38 -0.13 0.54 0.00 0.00 0.00 175.02 175.05 2gsi s VAL 138 N -3.50 1.08 -0.09 -6.03 0.11 0.12 -4.62 120.40 107.47 2gsi s VAL 138 Ca 0.34 -1.44 0.02 0.00 -2.93 0.00 0.00 61.98 57.96 2gsi s VAL 138 Cb 0.06 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 2gsi s VAL 138 CO 0.16 -0.35 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.54 2gsi s THR 139 N -1.71 2.96 0.30 5.04 2.01 -1.26 0.27 115.64 123.25 2gsi s THR 139 Ca 0.01 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2gsi s THR 139 Cb -0.07 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 2gsi s THR 139 CO 0.02 0.56 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.68 2gsi s LEU 140 N -0.17 2.55 0.18 4.42 1.43 0.03 -4.57 118.68 122.56 2gsi s LEU 140 Ca -0.01 -1.21 -0.08 0.00 -1.03 0.00 0.00 54.13 51.81 2gsi s LEU 140 Cb -0.13 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 2gsi s LEU 140 CO 0.03 -0.32 0.28 -0.83 0.23 0.00 0.00 176.35 175.75 2gsi s GLY 141 N -3.50 0.64 -0.08 -3.19 0.00 -0.56 -0.96 107.32 99.67 2gsi s GLY 141 Ca 0.31 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 44.03 2gsi s GLY 141 CO 0.14 -0.91 -0.15 0.00 0.00 0.00 0.00 173.10 172.18 2gsi s LEU 143 N 0.67 3.98 -0.34 0.00 2.96 0.73 -0.81 118.68 125.87 2gsi s LEU 143 Ca -0.14 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2gsi s LEU 143 Cb -0.16 -2.06 0.07 0.00 0.50 0.00 0.00 46.19 44.54 2gsi s LEU 143 CO 0.04 0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.51 2gsi s VAL 144 N 1.08 3.12 0.11 1.68 1.01 -0.11 0.48 120.40 127.76 2gsi s VAL 144 Ca 0.07 -1.60 0.08 0.00 0.00 0.00 0.00 61.98 60.53 2gsi s VAL 144 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2gsi s VAL 144 CO 0.04 -0.30 -0.21 -0.75 0.00 0.00 0.00 175.10 173.88 2gsi s LYS 145 N 1.22 1.17 -0.89 2.72 2.20 -0.98 -1.14 119.74 124.04 2gsi s LYS 145 Ca -0.00 -1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 54.37 2gsi s LYS 145 Cb -0.21 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 2gsi s LYS 145 CO -0.02 0.33 0.34 0.41 -0.36 0.00 0.00 175.35 176.05 2gsi n GLY 146 N 0.97 -0.00 3.69 5.54 0.00 -0.70 -1.93 105.19 112.76 2gsi n GLY 146 Ca -0.19 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 2gsi n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gsi s TYR 147 N -2.89 2.66 -0.21 1.61 1.13 -1.16 -4.57 117.35 113.92 2gsi s TYR 147 Ca 0.17 -0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.19 2gsi s TYR 147 Cb -0.07 -1.51 0.12 0.00 -1.10 0.00 0.00 41.96 39.40 2gsi s TYR 147 CO 0.21 0.43 0.99 0.12 -2.51 0.00 0.00 175.55 174.79 2gsi s PHE 148 N -2.43 -0.44 0.78 -3.49 5.36 0.85 -0.07 117.98 118.53 2gsi s PHE 148 Ca 0.36 0.93 -0.04 0.00 -0.96 0.00 0.00 56.93 57.22 2gsi s PHE 148 Cb -0.03 0.40 0.15 0.00 -0.34 0.00 0.00 43.02 43.21 2gsi s PHE 148 CO 0.21 -0.30 1.07 -1.25 -1.46 0.00 0.00 175.22 173.49 2gsi s PRO 149 N -0.44 1.39 0.81 10.12 0.04 -1.26 -1.77 135.00 143.89 2gsi s PRO 149 Ca 0.00 -1.03 -0.14 0.00 0.04 0.00 0.00 61.00 59.88 2gsi s PRO 149 Cb -0.03 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2gsi s PRO 149 CO -0.02 -1.70 0.98 0.39 0.04 0.00 0.00 177.00 176.70 2gsi n GLU 150 N -3.05 0.15 -3.86 4.56 -0.58 -1.26 -4.67 120.64 111.93 2gsi n GLU 150 Ca 0.16 0.12 -0.22 0.00 -0.42 0.00 0.00 57.16 56.80 2gsi n GLU 150 Cb 0.60 -2.26 -0.04 0.00 -0.57 0.00 0.00 31.44 29.18 2gsi n GLU 150 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2gsi s PRO 151 N -3.80 2.65 0.32 3.49 0.04 -1.26 -4.89 135.00 131.55 2gsi s PRO 151 Ca 0.70 -1.35 0.02 0.00 0.04 0.00 0.00 61.00 60.40 2gsi s PRO 151 Cb -0.29 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 2gsi s PRO 151 CO 0.54 0.09 0.50 0.14 0.04 0.00 0.00 177.00 178.30 2gsi s VAL 152 N -2.33 5.15 0.06 -0.36 -7.23 -1.26 -4.36 120.40 110.06 2gsi s VAL 152 Ca 0.41 -0.60 0.06 0.00 -1.81 0.00 0.00 61.98 60.04 2gsi s VAL 152 Cb -0.05 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.00 2gsi s VAL 152 CO 0.26 -0.49 -0.16 0.42 -0.31 0.00 0.00 175.10 174.81 2gsi s THR 153 N -2.22 1.31 -0.10 5.32 -4.23 0.36 -5.00 115.64 111.07 2gsi s THR 153 Ca 0.38 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 2gsi s THR 153 Cb -0.09 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.57 2gsi s THR 153 CO 0.34 -0.03 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.59 2gsi s VAL 154 N -1.00 1.17 0.45 2.29 1.01 -1.26 -0.81 120.40 122.26 2gsi s VAL 154 Ca 0.02 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2gsi s VAL 154 Cb -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2gsi s VAL 154 CO 0.02 0.38 0.19 0.42 0.00 0.00 0.00 175.10 176.11 2gsi s THR 156 N 1.22 1.98 -0.06 3.92 -4.23 -0.12 -4.96 115.64 113.39 2gsi s THR 156 Ca -0.04 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 2gsi s THR 156 Cb -0.14 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.00 2gsi s THR 156 CO -0.03 0.00 -0.15 0.26 -0.54 0.00 0.00 174.62 174.16 2gsi s TRP 157 N -2.68 1.61 -1.52 3.99 0.52 -1.25 -1.95 118.94 117.66 2gsi s TRP 157 Ca 0.34 -0.56 -0.03 0.00 0.02 0.00 0.00 56.10 55.87 2gsi s TRP 157 Cb 0.03 -1.13 0.00 0.00 -1.15 0.00 0.00 33.47 31.22 2gsi s TRP 157 CO 0.19 -0.25 0.07 0.09 0.02 0.00 0.00 176.95 177.07 2gsi n ASN 162 N 3.56 0.50 -4.09 2.95 3.02 0.17 -0.76 115.26 120.61 2gsi n ASN 162 Ca -0.21 -1.28 -0.31 0.00 -0.03 0.00 0.00 54.58 52.76 2gsi n ASN 162 Cb 0.52 -1.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.04 2gsi n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2gsi n SER 163 N -2.83 -2.05 0.00 6.41 7.64 -1.26 -2.29 113.62 119.24 2gsi n SER 163 Ca -0.31 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.57 2gsi n SER 163 Cb 0.69 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 2gsi n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gsi n GLY 164 N -1.70 3.09 0.28 0.23 0.00 0.06 -4.92 105.19 102.22 2gsi n GLY 164 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2gsi n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gsi h SER 165 N 0.09 0.69 -3.38 1.61 0.02 -1.09 -3.36 113.55 108.13 2gsi h SER 165 Ca 0.00 0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.38 2gsi h SER 165 Cb 0.00 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 62.33 2gsi h SER 165 CO 0.00 0.46 -0.04 -0.76 -1.14 0.00 0.00 176.83 175.34 2gsi s LEU 166 N -10.22 4.23 0.03 5.07 1.02 -0.75 -4.89 118.68 113.16 2gsi s LEU 166 Ca -0.13 0.83 0.00 0.00 0.02 0.00 0.00 54.13 54.85 2gsi s LEU 166 Cb 0.16 -2.78 0.00 0.00 0.02 0.00 0.00 46.19 43.60 2gsi s LEU 166 CO 0.77 -0.11 0.00 -1.54 0.02 0.00 0.00 176.35 175.50 2gsi n SER 167 N 4.20 -0.08 -4.73 2.29 3.41 -1.26 -3.86 113.62 113.59 2gsi n SER 167 Ca -0.05 0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2gsi n SER 167 Cb 0.51 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.58 2gsi n SER 167 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2gsi s SER 168 N -4.55 7.35 0.00 4.04 0.15 -1.26 -3.35 113.70 116.08 2gsi s SER 168 Ca 0.00 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.58 2gsi s SER 168 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2gsi s SER 168 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2gsi n GLY 169 N 2.33 1.09 3.26 9.45 0.00 -1.26 -4.81 105.19 115.24 2gsi n GLY 169 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2gsi n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsi s VAL 171 N -2.00 2.69 -0.27 1.61 1.01 -1.21 -1.05 120.40 121.18 2gsi s VAL 171 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2gsi s VAL 171 Cb 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.31 2gsi s VAL 171 CO 0.00 0.51 -0.03 -1.00 0.00 0.00 0.00 175.10 174.58 2gsi s HIS 172 N 0.91 2.74 -0.16 5.22 3.76 -0.53 -4.98 115.29 122.25 2gsi s HIS 172 Ca -0.03 -2.10 -0.16 0.00 -0.15 0.00 0.00 55.06 52.62 2gsi s HIS 172 Cb -0.15 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 2gsi s HIS 172 CO -0.01 -0.84 0.39 0.99 -0.85 0.00 0.00 174.74 174.41 2gsi s THR 173 N 1.27 5.23 -0.04 1.30 2.01 -1.26 -1.15 115.64 123.00 2gsi s THR 173 Ca -0.01 0.73 -0.09 0.00 0.31 0.00 0.00 61.69 62.62 2gsi s THR 173 Cb -0.19 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2gsi s THR 173 CO -0.08 0.32 0.27 -0.36 -0.69 0.00 0.00 174.62 174.07 2gsi s PHE 174 N 0.85 3.63 0.21 4.92 0.40 -0.89 -5.03 117.98 122.06 2gsi s PHE 174 Ca 0.20 0.69 -0.31 0.00 -0.60 0.00 0.00 56.93 56.91 2gsi s PHE 174 Cb -0.14 -2.06 -0.16 0.00 0.51 0.00 0.00 43.02 41.17 2gsi s PHE 174 CO 0.07 0.66 0.96 -2.30 0.70 0.00 0.00 175.22 175.32 2gsi n PRO 175 N 1.63 0.88 -2.65 0.24 -0.02 -1.26 -4.46 135.00 129.36 2gsi n PRO 175 Ca -0.15 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 2gsi n PRO 175 Cb 0.53 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.31 2gsi n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gsi s ALA 176 N -0.65 3.03 -0.14 3.55 0.00 -1.26 -4.81 121.76 121.47 2gsi s ALA 176 Ca 0.67 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 2gsi s ALA 176 Cb -0.85 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 2gsi s ALA 176 CO 0.56 -0.10 0.10 0.14 0.00 0.00 0.00 175.76 176.46 2gsi s VAL 177 N -1.88 5.19 0.31 0.00 -7.23 -0.55 -4.89 120.40 111.34 2gsi s VAL 177 Ca 0.61 0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 60.62 2gsi s VAL 177 Cb -0.16 -3.29 -0.10 0.00 0.56 0.00 0.00 36.38 33.39 2gsi s VAL 177 CO 0.21 0.55 0.92 -0.22 -0.31 0.00 0.00 175.10 176.25 2gsi s LEU 178 N -0.44 4.34 -0.29 1.32 2.96 -1.26 -2.01 118.68 123.30 2gsi s LEU 178 Ca 0.11 1.79 -0.17 0.00 -0.22 0.00 0.00 54.13 55.63 2gsi s LEU 178 Cb -0.12 -3.97 0.18 0.00 0.50 0.00 0.00 46.19 42.79 2gsi s LEU 178 CO 0.02 -0.06 1.16 -1.58 -1.32 0.00 0.00 176.35 174.57 2gsi s GLN 179 N -2.04 0.20 -1.45 1.98 0.74 -0.31 -4.95 119.66 113.84 2gsi s GLN 179 Ca 0.49 0.33 -0.10 0.00 0.05 0.00 0.00 55.36 56.13 2gsi s GLN 179 Cb -0.18 0.05 0.06 0.00 1.10 0.00 0.00 33.01 34.04 2gsi s GLN 179 CO 0.23 -0.04 0.72 0.43 -0.55 0.00 0.00 175.29 176.09 2gsi n SER 180 N 3.10 -4.70 -1.83 6.67 7.64 -1.26 -2.18 113.62 121.07 2gsi n SER 180 Ca -0.17 -0.53 -0.14 0.00 1.01 0.00 0.00 58.87 59.04 2gsi n SER 180 Cb 0.57 -3.80 0.01 0.00 -1.01 0.00 0.00 64.21 59.98 2gsi n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gsi n ASP 183 N -2.57 -4.38 -3.71 6.43 8.00 -1.26 -5.01 116.55 114.06 2gsi n ASP 183 Ca -0.01 -0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.26 2gsi n ASP 183 Cb 0.55 -3.37 -0.12 0.00 -0.02 0.00 0.00 41.12 38.16 2gsi n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gsi s LEU 184 N -4.24 0.09 0.89 0.64 1.43 -0.93 -4.87 118.68 111.69 2gsi s LEU 184 Ca 0.12 0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 2gsi s LEU 184 Cb -0.05 1.15 0.13 0.00 0.03 0.00 0.00 46.19 47.45 2gsi s LEU 184 CO 0.14 -0.18 1.19 -0.31 0.23 0.00 0.00 176.35 177.42 2gsi s TYR 185 N 1.31 2.45 -0.30 0.29 2.02 0.90 -1.16 117.35 122.87 2gsi s TYR 185 Ca -0.09 0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 57.16 2gsi s TYR 185 Cb -0.09 -3.58 0.15 0.00 -0.40 0.00 0.00 41.96 38.04 2gsi s TYR 185 CO -0.11 -2.22 0.89 0.99 -1.57 0.00 0.00 175.55 173.53 2gsi s THR 186 N -3.52 -0.48 0.25 -0.71 2.01 -0.85 -1.72 115.64 110.62 2gsi s THR 186 Ca 0.65 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.64 2gsi s THR 186 Cb -0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2gsi s THR 186 CO 0.51 0.00 0.26 -1.48 -0.69 0.00 0.00 174.62 173.22 2gsi s LEU 187 N 2.28 1.13 0.06 4.42 0.05 -0.29 -1.49 118.68 124.84 2gsi s LEU 187 Ca -0.05 -1.41 -0.03 0.00 0.05 0.00 0.00 54.13 52.69 2gsi s LEU 187 Cb -0.07 0.77 -0.03 0.00 -2.05 0.00 0.00 46.19 44.81 2gsi s LEU 187 CO -0.18 -0.99 0.02 -0.94 -0.55 0.00 0.00 176.35 173.72 2gsi s SER 188 N -3.19 0.40 -0.07 1.48 1.04 -1.26 -0.94 113.70 111.16 2gsi s SER 188 Ca 0.36 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 55.92 2gsi s SER 188 Cb 0.04 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2gsi s SER 188 CO 0.16 -0.63 -0.19 -0.55 0.98 0.00 0.00 173.24 173.02 2gsi s SER 189 N -2.88 2.43 0.04 7.02 0.15 0.01 -2.10 113.70 118.37 2gsi s SER 189 Ca 0.06 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.32 2gsi s SER 189 Cb 0.07 -0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 2gsi s SER 189 CO -0.10 0.14 0.03 -0.94 1.20 0.00 0.00 173.24 173.57 2gsi s SER 190 N 0.24 5.27 -0.05 5.45 1.04 -0.30 -0.74 113.70 124.61 2gsi s SER 190 Ca -0.10 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 2gsi s SER 190 Cb -0.15 -1.38 0.04 0.00 0.10 0.00 0.00 66.02 64.63 2gsi s SER 190 CO 0.05 0.23 0.10 0.54 0.98 0.00 0.00 173.24 175.13 2gsi s VAL 191 N -1.22 -0.13 -0.22 5.02 0.11 -0.14 -1.45 120.40 122.38 2gsi s VAL 191 Ca 0.24 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.48 2gsi s VAL 191 Cb -0.12 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2gsi s VAL 191 CO 0.15 0.13 0.20 -0.89 -3.33 0.00 0.00 175.10 171.36 2gsi s THR 192 N 1.75 5.35 0.10 5.04 2.01 -0.21 -0.79 115.64 128.88 2gsi s THR 192 Ca -0.02 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.33 2gsi s THR 192 Cb -0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2gsi s THR 192 CO -0.04 0.36 -0.15 0.68 -0.69 0.00 0.00 174.62 174.78 2gsi s VAL 193 N 0.86 1.26 -0.04 3.82 -7.23 0.14 -4.73 120.40 114.48 2gsi s VAL 193 Ca 0.10 -1.52 -0.36 0.00 -1.81 0.00 0.00 61.98 58.39 2gsi s VAL 193 Cb -0.13 -1.33 -0.14 0.00 0.56 0.00 0.00 36.38 35.33 2gsi s VAL 193 CO 0.03 -0.30 1.64 -2.65 -0.31 0.00 0.00 175.10 173.51 2gsi n PRO 194 N 0.91 1.65 0.13 4.82 -0.02 -1.26 0.16 135.00 141.38 2gsi n PRO 194 Ca -0.18 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 2gsi n PRO 194 Cb 0.55 -2.33 0.43 0.00 -0.02 0.00 0.00 33.50 32.13 2gsi n PRO 194 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2gsi n SER 195 N 4.53 0.41 0.24 2.55 3.41 -1.08 0.95 113.62 124.62 2gsi n SER 195 Ca 0.21 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.64 2gsi n SER 195 Cb 0.22 -0.72 0.41 0.00 -0.26 0.00 0.00 64.21 63.87 2gsi n SER 195 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gsi h SER 196 N 0.00 0.00 0.13 4.04 4.64 -1.88 -3.33 113.55 117.16 2gsi h SER 196 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gsi h SER 196 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2gsi h SER 196 CO 0.00 0.00 -1.11 0.35 -0.87 0.00 0.00 176.83 175.20 2gsi n THR 198 N -3.03 0.03 -3.84 2.95 -2.24 0.27 -4.68 114.28 103.74 2gsi n THR 198 Ca 0.03 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 2gsi n THR 198 Cb 0.42 0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 69.14 2gsi n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2gsi s TRP 199 N -3.12 -0.05 -1.42 4.78 -0.00 -1.22 -0.28 118.94 117.63 2gsi s TRP 199 Ca 0.05 0.14 0.25 0.00 -0.00 0.00 0.00 56.10 56.54 2gsi s TRP 199 Cb 0.16 -0.01 1.24 0.00 -0.00 0.00 0.00 33.47 34.86 2gsi s TRP 199 CO 0.85 -0.04 1.82 -0.35 -0.00 0.00 0.00 176.95 179.23 2gsi n PRO 200 N 3.22 0.34 -0.05 5.86 -0.04 -1.26 -4.75 135.00 138.32 2gsi n PRO 200 Ca -0.14 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2gsi n PRO 200 Cb 0.58 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2gsi n PRO 200 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gsi n SER 202 N -1.29 -0.12 -4.96 3.54 7.64 -1.25 -4.46 113.62 112.71 2gsi n SER 202 Ca 0.12 0.92 -0.22 0.00 1.01 0.00 0.00 58.87 60.69 2gsi n SER 202 Cb 0.20 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 2gsi n SER 202 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2gsi s GLN 203 N -3.34 3.31 0.28 1.43 -0.21 0.61 -5.09 119.66 116.65 2gsi s GLN 203 Ca -0.01 -0.63 -0.14 0.00 0.02 0.00 0.00 55.36 54.59 2gsi s GLN 203 Cb 0.01 -2.74 -0.08 0.00 1.00 0.00 0.00 33.01 31.20 2gsi s GLN 203 CO 0.07 0.13 0.68 0.95 -2.12 0.00 0.00 175.29 175.01 2gsi s THR 204 N -2.24 4.73 -0.21 -0.19 -4.23 -1.26 -4.40 115.64 107.84 2gsi s THR 204 Ca 0.41 0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 61.79 2gsi s THR 204 Cb -0.09 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.16 2gsi s THR 204 CO 0.33 -0.10 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.60 2gsi s VAL 205 N -1.87 1.13 -0.12 2.29 1.01 -1.26 -5.00 120.40 116.57 2gsi s VAL 205 Ca 0.51 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2gsi s VAL 205 Cb -0.11 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2gsi s VAL 205 CO 0.19 -0.10 -0.12 -0.89 0.00 0.00 0.00 175.10 174.18 2gsi s THR 206 N 1.59 3.15 -0.01 3.92 2.01 -1.26 -0.68 115.64 124.35 2gsi s THR 206 Ca -0.03 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 2gsi s THR 206 Cb -0.18 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2gsi s THR 206 CO -0.07 0.53 0.31 0.00 -0.69 0.00 0.00 174.62 174.70 2gsi s ASN 209 N -1.31 3.07 -0.20 0.00 -0.87 -0.82 -2.88 114.94 111.93 2gsi s ASN 209 Ca 0.24 -0.52 -0.02 0.00 -1.57 0.00 0.00 52.86 50.99 2gsi s ASN 209 Cb -0.14 -0.94 0.06 0.00 -0.02 0.00 0.00 41.25 40.20 2gsi s ASN 209 CO 0.12 0.23 0.01 -0.69 -2.57 0.00 0.00 177.10 174.20 2gsi s VAL 210 N -0.07 0.82 -0.16 1.60 1.01 0.13 -0.94 120.40 122.79 2gsi s VAL 210 Ca -0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2gsi s VAL 210 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2gsi s VAL 210 CO 0.05 -0.14 0.06 0.00 0.00 0.00 0.00 175.10 175.06 2gsi s ALA 211 N 1.73 3.45 -0.36 5.51 0.00 0.01 -0.81 121.76 131.29 2gsi s ALA 211 Ca -0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 2gsi s ALA 211 Cb -0.17 -1.85 0.13 0.00 0.00 0.00 0.00 23.12 21.23 2gsi s ALA 211 CO -0.07 0.32 0.19 -1.58 0.00 0.00 0.00 175.76 174.61 2gsi s HIS 212 N -0.07 1.18 0.15 0.00 2.46 -1.06 -0.49 115.29 117.46 2gsi s HIS 212 Ca 0.07 -1.75 -0.07 0.00 0.47 0.00 0.00 55.06 53.78 2gsi s HIS 212 Cb -0.12 -1.32 -0.00 0.00 -0.13 0.00 0.00 32.58 31.01 2gsi s HIS 212 CO 0.01 -0.83 1.42 -1.35 -2.47 0.00 0.00 174.74 171.53 2gsi h PRO 213 N 7.34 0.65 -1.39 2.88 0.11 -1.78 -2.55 132.00 137.25 2gsi h PRO 213 Ca -0.03 -0.46 0.40 0.00 0.11 0.00 0.00 66.00 66.02 2gsi h PRO 213 Cb 0.97 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2gsi h PRO 213 CO 0.39 1.08 0.99 0.00 -0.21 0.00 0.00 178.00 180.25 2gsi h ALA 214 N 0.81 3.26 -0.20 -0.75 0.00 -1.90 1.75 119.26 122.22 2gsi h ALA 214 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gsi h ALA 214 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2gsi h ALA 214 CO 0.12 -1.67 0.00 -1.13 0.00 0.00 0.00 179.25 176.57 2gsi n SER 215 N -4.16 2.90 -2.86 0.00 3.41 -0.99 -4.95 113.62 106.97 2gsi n SER 215 Ca 0.31 -1.86 -0.17 0.00 -0.26 0.00 0.00 58.87 56.89 2gsi n SER 215 Cb 1.44 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 65.26 2gsi n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2gsi n SER 216 N 1.13 -3.92 -4.80 4.04 7.64 0.59 -4.95 113.62 113.36 2gsi n SER 216 Ca 0.14 -0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 2gsi n SER 216 Cb 0.50 -3.28 -0.05 0.00 -1.01 0.00 0.00 64.21 60.37 2gsi n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2gsi s THR 217 N -2.77 3.24 -0.29 0.44 -4.23 -1.14 -5.03 115.64 105.86 2gsi s THR 217 Ca 0.19 -1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 59.03 2gsi s THR 217 Cb -0.10 -3.08 0.10 0.00 1.34 0.00 0.00 72.50 70.76 2gsi s THR 217 CO 0.23 -0.17 0.69 -0.75 -0.54 0.00 0.00 174.62 174.08 2gsi s LYS 218 N -3.93 0.65 0.02 3.99 2.20 -1.26 -2.58 119.74 118.83 2gsi s LYS 218 Ca 0.40 1.28 0.05 0.00 -0.36 0.00 0.00 55.97 57.33 2gsi s LYS 218 Cb -0.04 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 2gsi s LYS 218 CO 0.25 -0.16 -0.14 0.08 -0.36 0.00 0.00 175.35 175.01 2gsi s VAL 219 N 2.04 1.14 -0.26 4.02 1.01 0.01 -4.97 120.40 123.39 2gsi s VAL 219 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2gsi s VAL 219 Cb -0.07 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.38 2gsi s VAL 219 CO -0.19 0.15 -0.02 -1.81 0.00 0.00 0.00 175.10 173.22 2gsi s ASP 220 N -0.79 4.06 -0.14 3.32 1.01 -1.26 -0.69 116.67 122.18 2gsi s ASP 220 Ca 0.04 -1.40 -0.15 0.00 0.71 0.00 0.00 52.55 51.74 2gsi s ASP 220 Cb -0.07 -1.23 -0.05 0.00 1.01 0.00 0.00 42.92 42.58 2gsi s ASP 220 CO 0.01 -0.28 0.36 -0.75 0.21 0.00 0.00 175.17 174.72 2gsi s LYS 221 N 1.33 4.25 -0.15 8.23 2.47 -1.14 -4.99 119.74 129.73 2gsi s LYS 221 Ca -0.01 0.23 -0.13 0.00 -1.56 0.00 0.00 55.97 54.49 2gsi s LYS 221 Cb -0.19 -3.41 -0.05 0.00 -1.46 0.00 0.00 37.83 32.72 2gsi s LYS 221 CO -0.09 0.25 0.28 0.21 0.16 0.00 0.00 175.35 176.16 2gsi s LYS 222 N 0.40 4.19 -0.16 4.03 2.20 -1.26 -1.57 119.74 127.57 2gsi s LYS 222 Ca 0.20 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 2gsi s LYS 222 Cb -0.14 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2gsi s LYS 222 CO 0.07 0.30 1.48 0.42 -0.36 0.00 0.00 175.35 177.26 2gsi s ILE 223 N 0.29 3.89 -0.15 5.43 -1.09 0.15 -4.98 121.20 124.74 2gsi s ILE 223 Ca 0.16 1.06 -0.07 0.00 -2.23 0.00 0.00 60.65 59.57 2gsi s ILE 223 Cb -0.13 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2gsi s ILE 223 CO 0.04 -0.19 0.09 0.68 -1.23 0.00 0.00 174.94 174.33 2gsi s VAL 226 N 4.22 5.05 0.32 2.92 -7.23 -1.26 -4.71 120.40 119.71 2gsi s VAL 226 Ca 0.65 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.58 2gsi s VAL 226 Cb -0.26 -3.24 -0.11 0.00 0.56 0.00 0.00 36.38 33.33 2gsi s VAL 226 CO 0.24 0.52 1.56 -2.65 -0.31 0.00 0.00 175.10 174.47 2gsi n PRO 227 N 2.87 2.70 0.00 4.82 -0.02 -1.26 -4.69 135.00 139.42 2gsi n PRO 227 Ca -0.18 0.95 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 2gsi n PRO 227 Cb 0.53 -2.72 0.44 0.00 -0.02 0.00 0.00 33.50 31.73 2gsi n PRO 227 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02