#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msi n ALA 1 N 0.00 4.44 -2.67 0.00 0.00 -1.26 -4.83 120.51 116.19 1msi n ALA 1 Ca 0.00 -1.17 -0.41 0.00 0.00 0.00 0.00 53.44 51.86 1msi n ALA 1 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.10 1msi n ALA 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1msi s GLN 2 N 1.73 4.25 0.17 0.00 2.00 -1.26 -4.98 119.66 121.57 1msi s GLN 2 Ca 0.43 0.79 -0.15 0.00 -2.00 0.00 0.00 55.36 54.42 1msi s GLN 2 Cb 0.20 -3.57 -0.07 0.00 0.80 0.00 0.00 33.01 30.37 1msi s GLN 2 CO -0.00 -0.27 0.60 0.00 -0.50 0.00 0.00 175.29 175.12 1msi s ALA 3 N 1.98 3.53 0.35 1.58 0.00 -1.26 -4.50 121.76 123.43 1msi s ALA 3 Ca 0.33 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1msi s ALA 3 Cb -0.16 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1msi s ALA 3 CO 0.11 0.42 0.09 -1.12 0.00 0.00 0.00 175.76 175.27 1msi s SER 4 N -1.76 4.44 0.03 0.00 0.01 0.66 -1.39 113.70 115.70 1msi s SER 4 Ca 0.40 -0.89 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1msi s SER 4 Cb -0.15 -0.62 -0.05 0.00 0.21 0.00 0.00 66.02 65.41 1msi s SER 4 CO 0.20 -0.29 1.12 -0.69 0.41 0.00 0.00 173.24 173.98 1msi s VAL 5 N -2.48 4.35 -0.03 3.43 1.01 -0.06 -1.50 120.40 125.12 1msi s VAL 5 Ca 0.37 1.68 0.04 0.00 0.00 0.00 0.00 61.98 64.07 1msi s VAL 5 Cb -0.01 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1msi s VAL 5 CO 0.21 0.12 -0.16 -0.69 0.00 0.00 0.00 175.10 174.59 1msi s VAL 6 N 1.10 1.31 -0.02 2.92 1.01 -0.61 -0.78 120.40 125.33 1msi s VAL 6 Ca 0.56 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1msi s VAL 6 Cb -0.26 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1msi s VAL 6 CO 0.28 0.38 1.69 0.00 0.00 0.00 0.00 175.10 177.45 1msi s ALA 7 N -0.13 3.62 -1.53 5.51 0.00 -0.17 -1.03 121.76 128.04 1msi s ALA 7 Ca 0.01 1.04 0.27 0.00 0.00 0.00 0.00 51.96 53.27 1msi s ALA 7 Cb -0.09 -3.75 0.92 0.00 0.00 0.00 0.00 23.12 20.20 1msi s ALA 7 CO 0.01 -1.36 1.67 -1.71 0.00 0.00 0.00 175.76 174.38 1msi n ASN 8 N 6.87 0.66 -3.81 0.00 4.05 0.51 -0.94 115.26 122.60 1msi n ASN 8 Ca 0.17 -0.56 -0.08 0.00 0.45 0.00 0.00 54.58 54.56 1msi n ASN 8 Cb 0.42 0.03 -0.03 0.00 1.23 0.00 0.00 39.78 41.44 1msi n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1msi s GLN 9 N -2.61 1.66 0.13 1.20 -2.07 -1.26 -4.90 119.66 111.80 1msi s GLN 9 Ca 0.23 -0.94 -0.31 0.00 -1.82 0.00 0.00 55.36 52.52 1msi s GLN 9 Cb 0.19 0.58 -0.10 0.00 -1.09 0.00 0.00 33.01 32.60 1msi s GLN 9 CO 0.53 -0.74 1.66 -1.17 -1.32 0.00 0.00 175.29 174.25 1msi s LEU 10 N -2.90 4.37 -0.33 2.60 2.96 -1.26 -4.08 118.68 120.04 1msi s LEU 10 Ca 0.11 2.64 -0.11 0.00 -0.22 0.00 0.00 54.13 56.54 1msi s LEU 10 Cb -0.04 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1msi s LEU 10 CO 0.04 -0.90 0.20 -0.63 -1.32 0.00 0.00 176.35 173.74 1msi s ILE 11 N 1.90 4.99 0.75 6.68 1.01 0.26 -4.94 121.20 131.86 1msi s ILE 11 Ca 0.74 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 1msi s ILE 11 Cb -0.44 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.52 1msi s ILE 11 CO 0.33 0.02 1.12 -2.84 0.00 0.00 0.00 174.94 173.56 1msi s PRO 12 N 1.67 2.27 0.51 2.79 0.02 -1.26 -0.52 135.00 140.48 1msi s PRO 12 Ca 0.05 1.36 -0.22 0.00 0.02 0.00 0.00 61.00 62.22 1msi s PRO 12 Cb -0.17 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1msi s PRO 12 CO 0.09 -1.66 1.05 1.51 -0.33 0.00 0.00 177.00 177.66 1msi n ILE 13 N -3.15 3.08 -3.88 2.83 3.06 -1.26 -2.83 119.36 117.21 1msi n ILE 13 Ca 0.10 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.55 1msi n ILE 13 Cb 0.52 -1.25 0.01 0.00 0.54 0.00 0.00 39.64 39.46 1msi n ILE 13 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1msi n ASN 14 N -0.18 -4.38 -4.40 9.51 3.02 -0.47 -4.94 115.26 113.42 1msi n ASN 14 Ca 0.11 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.57 1msi n ASN 14 Cb 0.43 -3.53 -0.14 0.00 -0.61 0.00 0.00 39.78 35.93 1msi n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1msi s THR 15 N -3.23 2.72 0.15 3.41 2.01 -1.13 -4.90 115.64 114.68 1msi s THR 15 Ca 0.64 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1msi s THR 15 Cb -0.33 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.06 1msi s THR 15 CO 0.79 0.58 1.11 0.00 -0.69 0.00 0.00 174.62 176.41 1msi s ALA 16 N -0.49 3.36 0.19 7.40 0.00 -1.26 -2.56 121.76 128.40 1msi s ALA 16 Ca 0.06 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1msi s ALA 16 Cb -0.12 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1msi s ALA 16 CO 0.01 -0.24 1.19 -0.51 0.00 0.00 0.00 175.76 176.21 1msi s LEU 17 N -0.10 4.45 0.35 0.00 1.43 -0.02 -4.84 118.68 119.95 1msi s LEU 17 Ca 0.51 2.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.93 1msi s LEU 17 Cb -0.29 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 1msi s LEU 17 CO 0.34 -0.36 -0.07 0.42 0.23 0.00 0.00 176.35 176.91 1msi s THR 18 N -0.11 2.11 0.46 5.49 -4.23 -1.26 -0.76 115.64 117.34 1msi s THR 18 Ca 0.52 -2.15 0.17 0.00 -1.18 0.00 0.00 61.69 59.05 1msi s THR 18 Cb -0.33 -2.70 0.21 0.00 1.34 0.00 0.00 72.50 71.03 1msi s THR 18 CO 0.37 -0.17 2.03 -0.07 -0.54 0.00 0.00 174.62 176.25 1msi h LEU 19 N 2.00 0.00 -0.84 4.79 3.38 -1.95 -2.14 115.31 120.54 1msi h LEU 19 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1msi h LEU 19 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1msi h LEU 19 CO 0.72 0.14 0.00 1.33 0.09 0.00 0.00 178.44 180.72 1msi n VAL 20 N -4.26 0.84 1.00 1.22 0.24 -1.26 -2.71 118.33 113.39 1msi n VAL 20 Ca -0.02 0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.70 1msi n VAL 20 Cb 0.22 -1.24 0.49 0.00 -1.47 0.00 0.00 33.84 31.83 1msi n VAL 20 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1msi n MET 21 N -2.29 0.00 -3.87 7.34 2.81 -0.80 -4.67 117.12 115.64 1msi n MET 21 Ca 0.02 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 1msi n MET 21 Cb 0.21 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.04 1msi n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1msi s MET 22 N -3.00 1.18 0.55 0.03 -1.94 -1.10 -0.37 119.30 114.65 1msi s MET 22 Ca 0.13 -0.12 0.04 0.00 -1.71 0.00 0.00 55.69 54.03 1msi s MET 22 Cb 0.18 -1.35 0.03 0.00 2.01 0.00 0.00 34.83 35.71 1msi s MET 22 CO 0.59 -0.27 0.30 -0.98 -0.01 0.00 0.00 175.02 174.65 1msi s ARG 23 N 1.78 2.24 0.03 2.03 1.70 -0.20 -4.87 118.95 121.65 1msi s ARG 23 Ca 0.04 -2.16 0.06 0.00 -0.47 0.00 0.00 55.73 53.21 1msi s ARG 23 Cb -0.12 -1.93 -0.02 0.00 -0.57 0.00 0.00 34.95 32.30 1msi s ARG 23 CO -0.07 -0.59 -0.17 -1.54 -1.08 0.00 0.00 175.30 171.85 1msi s SER 24 N -4.19 2.06 0.05 -2.89 1.04 -1.26 -1.57 113.70 106.93 1msi s SER 24 Ca 0.25 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 1msi s SER 24 Cb -0.02 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.96 1msi s SER 24 CO 0.15 0.13 0.36 -0.70 0.98 0.00 0.00 173.24 174.17 1msi s GLU 25 N -0.94 0.89 -0.52 4.02 2.12 -0.56 -4.94 118.70 118.76 1msi s GLU 25 Ca 0.05 -0.46 -0.22 0.00 0.36 0.00 0.00 54.97 54.70 1msi s GLU 25 Cb -0.08 0.39 0.05 0.00 0.26 0.00 0.00 34.13 34.75 1msi s GLU 25 CO 0.01 -0.30 0.78 0.08 -0.54 0.00 0.00 175.26 175.29 1msi s VAL 26 N -2.66 4.63 0.20 3.70 1.01 -1.26 -0.25 120.40 125.78 1msi s VAL 26 Ca -0.04 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1msi s VAL 26 Cb -0.00 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1msi s VAL 26 CO -0.04 -0.95 -0.03 0.68 0.00 0.00 0.00 175.10 174.76 1msi s VAL 27 N 3.29 1.04 -0.01 2.92 -7.23 -1.26 -5.02 120.40 114.14 1msi s VAL 27 Ca 0.23 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1msi s VAL 27 Cb -0.16 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 1msi s VAL 27 CO 0.16 -0.46 -0.08 0.42 -0.31 0.00 0.00 175.10 174.83 1msi s THR 28 N -3.41 0.61 0.81 5.32 -4.23 -1.26 -4.09 115.64 109.39 1msi s THR 28 Ca 0.25 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 1msi s THR 28 Cb 0.05 -0.52 0.08 0.00 1.34 0.00 0.00 72.50 73.45 1msi s THR 28 CO 0.06 0.18 1.11 -2.16 -0.54 0.00 0.00 174.62 173.27 1msi s PRO 29 N -0.11 1.90 0.06 3.99 0.04 -1.26 -5.11 135.00 134.51 1msi s PRO 29 Ca 0.02 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1msi s PRO 29 Cb -0.04 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1msi s PRO 29 CO -0.00 -1.93 1.11 0.08 0.04 0.00 0.00 177.00 176.30 1msi s VAL 30 N -2.79 4.26 0.00 -0.36 1.01 -1.26 -5.01 120.40 116.26 1msi s VAL 30 Ca 0.63 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.29 1msi s VAL 30 Cb -0.19 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1msi s VAL 30 CO 0.56 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1msi n GLY 31 N 2.91 2.88 3.71 4.51 0.00 -1.26 -5.04 105.19 112.90 1msi n GLY 31 Ca 0.07 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1msi n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1msi n ILE 32 N 0.00 0.02 -1.85 -0.61 5.41 -0.17 -4.81 119.36 117.34 1msi n ILE 32 Ca 0.00 -0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.35 1msi n ILE 32 Cb 0.00 -1.93 0.02 0.00 -0.71 0.00 0.00 39.64 37.01 1msi n ILE 32 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1msi s PRO 33 N 1.20 3.62 0.52 0.38 0.04 -1.26 -0.88 135.00 138.62 1msi s PRO 33 Ca 0.76 2.31 0.24 0.00 0.04 0.00 0.00 61.00 64.35 1msi s PRO 33 Cb -0.53 -2.58 1.36 0.00 0.04 0.00 0.00 34.50 32.79 1msi s PRO 33 CO 0.33 -0.84 1.99 0.00 0.04 0.00 0.00 177.00 178.52 1msi h ALA 34 N 2.19 2.45 -0.04 8.56 0.00 -1.48 -0.21 119.26 130.73 1msi h ALA 34 Ca -0.51 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1msi h ALA 34 Cb 1.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1msi h ALA 34 CO 0.60 -0.61 0.03 0.93 0.00 0.00 0.00 179.25 180.21 1msi h GLU 35 N 0.05 0.00 -0.00 0.00 5.08 -1.90 -2.24 114.58 115.57 1msi h GLU 35 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1msi h GLU 35 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1msi h GLU 35 CO -0.01 0.00 -0.00 -0.25 -1.00 0.00 0.00 179.01 177.74 1msi n ASP 36 N -4.23 0.02 -0.20 1.42 8.00 -0.09 -4.29 116.55 117.17 1msi n ASP 36 Ca -0.02 -0.66 0.01 0.00 0.71 0.00 0.00 54.79 54.83 1msi n ASP 36 Cb 0.13 -0.11 0.10 0.00 -0.02 0.00 0.00 41.12 41.22 1msi n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1msi h ILE 37 N 0.03 0.55 -0.83 0.53 2.04 -1.55 -0.27 117.51 118.01 1msi h ILE 37 Ca 0.00 -0.06 0.16 0.00 1.00 0.00 0.00 64.86 65.96 1msi h ILE 37 Cb 0.12 0.37 -0.10 0.00 -0.74 0.00 0.00 36.82 36.47 1msi h ILE 37 CO 0.00 0.03 0.40 -0.65 0.00 0.00 0.00 178.15 177.93 1msi h PRO 38 N 0.17 0.53 -0.80 2.37 0.11 -1.86 -1.12 132.00 131.40 1msi h PRO 38 Ca 0.32 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 1msi h PRO 38 Cb 0.50 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1msi h PRO 38 CO -0.47 0.35 0.44 0.00 -0.21 0.00 0.00 178.00 178.10 1msi h ARG 39 N 0.54 1.11 0.00 1.05 3.08 -1.36 -2.88 114.38 115.92 1msi h ARG 39 Ca 0.47 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 1msi h ARG 39 Cb 0.71 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1msi h ARG 39 CO -0.40 0.81 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.19 1msi h LEU 40 N 1.11 0.00 -9.50 3.04 3.38 -0.49 -3.44 115.31 109.42 1msi h LEU 40 Ca 0.28 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.68 1msi h LEU 40 Cb 0.03 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.83 1msi h LEU 40 CO -0.05 0.05 0.91 0.52 0.09 0.00 0.00 178.44 179.97 1msi n VAL 41 N -3.15 0.13 -0.93 1.22 0.31 -1.09 -0.93 118.33 113.89 1msi n VAL 41 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1msi n VAL 41 Cb 0.39 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1msi n VAL 41 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1msi n SER 42 N 4.23 -0.24 -4.84 4.52 3.41 0.06 -4.94 113.62 115.82 1msi n SER 42 Ca 0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.47 1msi n SER 42 Cb 0.31 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 1msi n SER 42 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1msi s MET 43 N -0.16 4.03 0.02 4.33 1.00 -0.10 -4.56 119.30 123.86 1msi s MET 43 Ca 0.00 0.86 -0.01 0.00 0.00 0.00 0.00 55.69 56.54 1msi s MET 43 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 34.83 32.52 1msi s MET 43 CO 0.00 -0.04 0.17 -0.65 0.00 0.00 0.00 175.02 174.51 1msi s GLN 44 N -3.44 3.36 0.37 2.03 -0.21 -1.26 -0.84 119.66 119.67 1msi s GLN 44 Ca 0.57 -0.40 -0.12 0.00 0.02 0.00 0.00 55.36 55.43 1msi s GLN 44 Cb -0.10 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 1msi s GLN 44 CO 0.21 0.65 0.75 0.14 -2.12 0.00 0.00 175.29 174.92 1msi s VAL 45 N -1.37 4.74 -1.84 1.09 -7.23 -1.06 -0.48 120.40 114.25 1msi s VAL 45 Ca 0.29 0.76 0.20 0.00 -1.81 0.00 0.00 61.98 61.43 1msi s VAL 45 Cb -0.13 -3.68 0.53 0.00 0.56 0.00 0.00 36.38 33.67 1msi s VAL 45 CO 0.21 -0.37 1.44 -0.46 -0.31 0.00 0.00 175.10 175.61 1msi n ASN 46 N -0.88 3.63 -3.60 4.85 0.23 -0.13 -1.36 115.26 118.00 1msi n ASN 46 Ca 0.03 -1.99 -0.12 0.00 -0.53 0.00 0.00 54.58 51.97 1msi n ASN 46 Cb 0.54 -0.39 -0.05 0.00 -2.08 0.00 0.00 39.78 37.80 1msi n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1msi s ARG 47 N -1.08 1.04 0.26 -3.83 1.70 -1.26 -4.81 118.95 110.97 1msi s ARG 47 Ca 0.41 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 1msi s ARG 47 Cb 0.22 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.97 1msi s ARG 47 CO 0.29 -0.39 1.45 0.00 -1.08 0.00 0.00 175.30 175.57 1msi s ALA 48 N -2.96 3.63 -0.35 7.88 0.00 -1.26 -4.02 121.76 124.67 1msi s ALA 48 Ca -0.02 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 1msi s ALA 48 Cb -0.00 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.64 1msi s ALA 48 CO -0.06 -0.77 0.09 0.08 0.00 0.00 0.00 175.76 175.11 1msi s VAL 49 N -0.10 3.01 0.77 0.00 1.01 0.32 -4.92 120.40 120.49 1msi s VAL 49 Ca 0.59 -1.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1msi s VAL 49 Cb -0.42 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.06 1msi s VAL 49 CO 0.45 -0.43 1.11 -2.65 0.00 0.00 0.00 175.10 173.58 1msi n PRO 50 N 4.56 0.37 -1.60 2.72 -0.02 -1.26 -0.57 135.00 139.19 1msi n PRO 50 Ca -0.06 0.19 -0.50 0.00 -2.02 0.00 0.00 63.50 61.11 1msi n PRO 50 Cb 0.42 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1msi n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1msi n LEU 51 N -2.54 1.82 0.00 2.45 7.94 -1.26 -1.77 117.00 123.63 1msi n LEU 51 Ca 0.13 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1msi n LEU 51 Cb 0.50 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.21 1msi n LEU 51 CO 0.48 -1.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.33 1msi n GLY 52 N 2.39 0.79 3.75 -3.96 0.00 -0.12 -4.98 105.19 103.06 1msi n GLY 52 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1msi n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1msi s THR 53 N -3.08 4.07 0.05 2.61 2.01 -0.73 -4.71 115.64 115.86 1msi s THR 53 Ca 0.00 1.97 -0.31 0.00 0.31 0.00 0.00 61.69 63.67 1msi s THR 53 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1msi s THR 53 CO 0.00 0.43 1.19 -0.89 -0.69 0.00 0.00 174.62 174.66 1msi s THR 54 N -0.85 4.08 -0.09 -0.82 2.01 -1.26 -1.00 115.64 117.70 1msi s THR 54 Ca 0.43 1.49 -0.30 0.00 0.31 0.00 0.00 61.69 63.63 1msi s THR 54 Cb -0.26 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1msi s THR 54 CO 0.33 0.11 1.07 -0.76 -0.69 0.00 0.00 174.62 174.68 1msi s LEU 55 N 1.15 4.25 0.13 4.42 2.01 0.04 -4.96 118.68 125.72 1msi s LEU 55 Ca 0.58 1.62 0.05 0.00 0.01 0.00 0.00 54.13 56.39 1msi s LEU 55 Cb -0.29 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.32 1msi s LEU 55 CO 0.29 -0.50 0.06 -0.04 1.01 0.00 0.00 176.35 177.16 1msi s MET 56 N 2.12 2.68 0.34 1.70 -1.94 -1.26 -1.00 119.30 121.95 1msi s MET 56 Ca 0.51 -0.88 0.09 0.00 -1.71 0.00 0.00 55.69 53.70 1msi s MET 56 Cb -0.20 -2.56 0.84 0.00 2.01 0.00 0.00 34.83 34.92 1msi s MET 56 CO 0.19 0.51 1.80 -1.35 -0.01 0.00 0.00 175.02 176.16 1msi h PRO 57 N 2.93 0.64 0.00 2.03 0.11 -1.95 -1.40 132.00 134.36 1msi h PRO 57 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1msi h PRO 57 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1msi h PRO 57 CO 0.61 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 1msi n ASP 58 N -4.68 0.00 0.01 -2.05 5.75 -1.26 -2.81 116.55 111.51 1msi n ASP 58 Ca 0.22 -0.07 0.11 0.00 -0.01 0.00 0.00 54.79 55.05 1msi n ASP 58 Cb 0.61 -0.26 0.11 0.00 -1.03 0.00 0.00 41.12 40.55 1msi n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1msi n MET 59 N -1.26 0.10 -4.15 0.11 2.81 -0.53 -4.87 117.12 109.34 1msi n MET 59 Ca 0.10 0.01 -0.34 0.00 -1.81 0.00 0.00 57.70 55.66 1msi n MET 59 Cb 0.16 -1.54 -0.15 0.00 -0.71 0.00 0.00 33.22 30.98 1msi n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1msi s VAL 60 N -3.07 3.02 -0.02 2.03 1.01 -1.12 -0.95 120.40 121.29 1msi s VAL 60 Ca 0.08 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1msi s VAL 60 Cb 0.16 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1msi s VAL 60 CO 0.76 0.47 1.40 -0.54 0.00 0.00 0.00 175.10 177.20 1msi s LYS 61 N 1.18 4.27 0.00 2.72 1.02 0.37 -2.37 119.74 126.94 1msi s LYS 61 Ca 0.02 1.95 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1msi s LYS 61 Cb -0.14 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1msi s LYS 61 CO -0.03 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1msi n GLY 62 N 3.67 0.75 3.72 -3.33 0.00 -1.26 -4.41 105.19 104.34 1msi n GLY 62 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1msi n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1msi s TYR 63 N -2.61 3.63 -0.02 1.61 5.04 -1.00 -5.02 117.35 118.98 1msi s TYR 63 Ca 0.00 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1msi s TYR 63 Cb 0.00 -2.88 0.02 0.00 0.35 0.00 0.00 41.96 39.44 1msi s TYR 63 CO 0.00 0.10 -0.00 0.00 -1.34 0.00 0.00 175.55 174.31 1msi s ALA 64 N 0.67 0.21 -2.06 3.97 0.00 -1.26 -4.95 121.76 118.34 1msi s ALA 64 Ca 0.41 0.09 0.32 0.00 0.00 0.00 0.00 51.96 52.78 1msi s ALA 64 Cb -0.19 -0.19 1.81 0.00 0.00 0.00 0.00 23.12 24.54 1msi s ALA 64 CO 0.22 -0.03 2.17 0.00 0.00 0.00 0.00 175.76 178.12