#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5msi n ALA 1 N 0.00 1.25 -2.68 3.17 0.00 -1.26 -5.06 120.51 115.93 5msi n ALA 1 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.45 5msi n ALA 1 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 5msi n ALA 1 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 5msi s GLN 2 N -0.26 4.14 0.24 0.00 -2.07 -1.26 -5.00 119.66 115.46 5msi s GLN 2 Ca 0.00 -0.06 -0.16 0.00 -1.82 0.00 0.00 55.36 53.32 5msi s GLN 2 Cb 0.00 -3.51 -0.08 0.00 -1.09 0.00 0.00 33.01 28.33 5msi s GLN 2 CO 0.00 0.08 0.68 0.00 -1.32 0.00 0.00 175.29 174.73 5msi s ALA 3 N 0.99 3.43 0.31 2.60 0.00 -1.26 -4.36 121.76 123.46 5msi s ALA 3 Ca 0.13 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.21 5msi s ALA 3 Cb -0.14 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 5msi s ALA 3 CO 0.05 0.37 -0.13 -1.12 0.00 0.00 0.00 175.76 174.93 5msi s SER 4 N -1.96 3.52 0.11 0.00 0.01 0.06 -1.74 113.70 113.70 5msi s SER 4 Ca 0.46 -1.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.30 5msi s SER 4 Cb -0.13 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.73 5msi s SER 4 CO 0.19 -0.12 1.15 -0.69 0.41 0.00 0.00 173.24 174.18 5msi s VAL 5 N -2.63 4.00 0.01 3.43 1.01 -0.00 -1.39 120.40 124.83 5msi s VAL 5 Ca 0.31 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.88 5msi s VAL 5 Cb -0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 5msi s VAL 5 CO 0.15 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.58 5msi s VAL 6 N 0.52 1.26 -0.07 2.92 1.01 -0.19 -1.26 120.40 124.58 5msi s VAL 6 Ca 0.55 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 5msi s VAL 6 Cb -0.29 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 5msi s VAL 6 CO 0.32 0.23 1.51 0.00 0.00 0.00 0.00 175.10 177.16 5msi s ALA 7 N -0.56 3.63 -1.20 5.51 0.00 -0.02 -1.25 121.76 127.86 5msi s ALA 7 Ca 0.05 0.81 0.28 0.00 0.00 0.00 0.00 51.96 53.10 5msi s ALA 7 Cb -0.07 -3.69 1.16 0.00 0.00 0.00 0.00 23.12 20.52 5msi s ALA 7 CO 0.00 -1.25 1.85 -1.71 0.00 0.00 0.00 175.76 174.65 5msi n ASN 8 N 6.66 0.18 -3.71 0.00 4.05 0.25 -1.23 115.26 121.46 5msi n ASN 8 Ca 0.16 0.04 -0.09 0.00 0.45 0.00 0.00 54.58 55.14 5msi n ASN 8 Cb 0.43 -0.25 -0.02 0.00 1.23 0.00 0.00 39.78 41.17 5msi n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 5msi s GLN 9 N -2.82 1.55 0.19 1.20 -2.07 -1.26 -4.90 119.66 111.55 5msi s GLN 9 Ca 0.19 -0.82 -0.32 0.00 -1.82 0.00 0.00 55.36 52.59 5msi s GLN 9 Cb 0.19 0.58 -0.12 0.00 -1.09 0.00 0.00 33.01 32.58 5msi s GLN 9 CO 0.54 -0.69 1.76 -1.17 -1.32 0.00 0.00 175.29 174.40 5msi s LEU 10 N -2.86 4.38 -0.31 2.60 1.98 -1.26 -4.17 118.68 119.03 5msi s LEU 10 Ca 0.08 2.85 -0.07 0.00 -2.89 0.00 0.00 54.13 54.10 5msi s LEU 10 Cb -0.03 -3.59 0.01 0.00 0.66 0.00 0.00 46.19 43.24 5msi s LEU 10 CO -0.01 -0.99 0.10 -0.63 -1.89 0.00 0.00 176.35 172.94 5msi s ILE 11 N 1.57 4.05 0.69 6.68 1.01 0.22 -4.93 121.20 130.48 5msi s ILE 11 Ca 0.77 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 5msi s ILE 11 Cb -0.49 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 38.86 5msi s ILE 11 CO 0.33 0.02 1.08 -2.84 0.00 0.00 0.00 174.94 173.53 5msi s PRO 12 N 1.50 2.81 0.55 2.79 0.02 -1.26 -0.17 135.00 141.25 5msi s PRO 12 Ca 0.02 1.15 -0.21 0.00 0.02 0.00 0.00 61.00 61.98 5msi s PRO 12 Cb -0.18 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 5msi s PRO 12 CO 0.03 -1.21 1.29 1.51 -0.33 0.00 0.00 177.00 178.29 5msi n ILE 13 N -2.85 3.82 -3.86 2.83 3.06 -1.26 -3.15 119.36 117.94 5msi n ILE 13 Ca 0.09 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.54 5msi n ILE 13 Cb 0.53 -1.57 0.01 0.00 0.54 0.00 0.00 39.64 39.15 5msi n ILE 13 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 5msi n ASN 14 N -0.95 -4.39 -4.31 9.51 3.02 -0.38 -4.96 115.26 112.81 5msi n ASN 14 Ca 0.11 -0.74 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 5msi n ASN 14 Cb 0.45 -3.54 -0.16 0.00 -0.61 0.00 0.00 39.78 35.92 5msi n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 5msi s THR 15 N -3.22 2.25 0.19 3.41 2.01 -1.19 -4.93 115.64 114.16 5msi s THR 15 Ca 0.63 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 5msi s THR 15 Cb -0.32 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 5msi s THR 15 CO 0.78 0.57 1.33 0.00 -0.69 0.00 0.00 174.62 176.61 5msi s LEU 17 N 0.06 4.45 0.32 0.00 1.43 -0.08 -4.85 118.68 120.01 5msi s LEU 17 Ca 0.58 2.07 0.10 0.00 -1.03 0.00 0.00 54.13 55.85 5msi s LEU 17 Cb -0.37 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 5msi s LEU 17 CO 0.37 -0.30 -0.11 0.42 0.23 0.00 0.00 176.35 176.96 5msi s THR 18 N 0.15 2.21 0.49 5.49 -4.23 -1.26 -0.61 115.64 117.87 5msi s THR 18 Ca 0.52 -2.23 0.23 0.00 -1.18 0.00 0.00 61.69 59.03 5msi s THR 18 Cb -0.29 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.28 5msi s THR 18 CO 0.33 -0.26 2.12 -0.07 -0.54 0.00 0.00 174.62 176.20 5msi h LEU 19 N 2.11 0.00 -0.53 4.79 3.38 -1.96 -1.76 115.31 121.34 5msi h LEU 19 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 5msi h LEU 19 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 5msi h LEU 19 CO 0.68 0.09 0.00 -0.37 0.09 0.00 0.00 178.44 178.93 5msi h VAL 20 N 0.00 0.00 -0.00 1.22 -1.51 -2.02 -3.00 116.25 110.94 5msi h VAL 20 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 5msi h VAL 20 Cb 0.19 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 5msi h VAL 20 CO 0.01 0.00 -0.10 0.23 -1.23 0.00 0.00 177.57 176.48 5msi n MET 21 N -2.52 0.03 -3.91 5.19 2.81 -0.66 -4.69 117.12 113.36 5msi n MET 21 Ca 0.03 -0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.64 5msi n MET 21 Cb 0.35 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.19 5msi n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 5msi s MET 22 N -2.98 1.57 0.53 0.03 -1.94 -1.13 -0.58 119.30 114.80 5msi s MET 22 Ca 0.14 -0.30 0.05 0.00 -1.71 0.00 0.00 55.69 53.87 5msi s MET 22 Cb 0.19 -1.67 0.03 0.00 2.01 0.00 0.00 34.83 35.39 5msi s MET 22 CO 0.56 -0.28 0.34 -0.98 -0.01 0.00 0.00 175.02 174.64 5msi s ARG 23 N 1.69 2.25 -0.03 2.03 1.70 -0.38 -4.88 118.95 121.32 5msi s ARG 23 Ca 0.05 -2.07 0.05 0.00 -0.47 0.00 0.00 55.73 53.29 5msi s ARG 23 Cb -0.13 -2.01 -0.01 0.00 -0.57 0.00 0.00 34.95 32.23 5msi s ARG 23 CO -0.08 -0.56 -0.18 0.45 -1.08 0.00 0.00 175.30 173.84 5msi s SER 24 N -4.21 2.17 -0.03 -2.89 0.15 -1.26 -1.02 113.70 106.61 5msi s SER 24 Ca 0.30 -0.34 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 5msi s SER 24 Cb -0.02 -0.39 0.04 0.00 -1.71 0.00 0.00 66.02 63.94 5msi s SER 24 CO 0.18 0.20 0.43 -0.70 1.20 0.00 0.00 173.24 174.55 5msi s GLU 25 N -0.25 0.79 -0.56 5.44 2.12 -0.48 -4.94 118.70 120.82 5msi s GLU 25 Ca 0.03 -0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.09 5msi s GLU 25 Cb -0.09 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.71 5msi s GLU 25 CO 0.00 -0.23 0.89 0.08 -0.54 0.00 0.00 175.26 175.47 5msi s VAL 26 N -1.26 4.46 0.29 3.70 1.01 -1.26 -0.76 120.40 126.58 5msi s VAL 26 Ca -0.13 0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.99 5msi s VAL 26 Cb -0.04 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 5msi s VAL 26 CO 0.06 -1.10 0.00 0.68 0.00 0.00 0.00 175.10 174.74 5msi s VAL 27 N 3.76 1.34 -0.03 2.92 -7.23 -1.26 -5.01 120.40 114.88 5msi s VAL 27 Ca 0.27 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 5msi s VAL 27 Cb -0.14 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.23 5msi s VAL 27 CO 0.17 -0.17 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.85 5msi s THR 28 N -3.20 0.48 0.90 5.32 2.01 -1.26 -4.02 115.64 115.87 5msi s THR 28 Ca 0.32 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 5msi s THR 28 Cb 0.06 -0.48 0.13 0.00 0.01 0.00 0.00 72.50 72.22 5msi s THR 28 CO 0.13 0.19 1.09 -2.16 -0.69 0.00 0.00 174.62 173.18 5msi s PRO 29 N 0.64 1.17 0.25 4.92 0.04 -1.26 -5.11 135.00 135.64 5msi s PRO 29 Ca -0.08 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 5msi s PRO 29 Cb -0.11 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 5msi s PRO 29 CO -0.00 -2.36 1.06 0.08 0.04 0.00 0.00 177.00 175.82 5msi s VAL 30 N -2.82 3.73 0.00 -0.36 1.01 -1.26 -5.03 120.40 115.67 5msi s VAL 30 Ca 0.64 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.30 5msi s VAL 30 Cb -0.19 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.12 5msi s VAL 30 CO 0.58 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.66 5msi n GLY 31 N 1.46 4.97 3.71 4.51 0.00 -1.26 -5.05 105.19 113.54 5msi n GLY 31 Ca -0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 5msi n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5msi s ILE 32 N 2.41 2.33 0.35 -0.61 1.01 0.28 -4.83 121.20 122.13 5msi s ILE 32 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 5msi s ILE 32 Cb 0.00 -3.11 -0.11 0.00 0.01 0.00 0.00 42.46 39.25 5msi s ILE 32 CO 0.00 0.01 1.46 -0.81 0.00 0.00 0.00 174.94 175.60 5msi n PRO 33 N 4.36 2.55 0.07 2.79 -0.04 -1.26 -0.82 135.00 142.65 5msi n PRO 33 Ca 0.16 0.90 0.18 0.00 -0.04 0.00 0.00 63.50 64.69 5msi n PRO 33 Cb 0.37 -2.60 0.69 0.00 -0.04 0.00 0.00 33.50 31.92 5msi n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5msi h ALA 34 N 3.23 2.34 0.00 0.55 0.00 -1.59 -1.15 119.26 122.63 5msi h ALA 34 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 5msi h ALA 34 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 5msi h ALA 34 CO 0.67 -0.50 0.00 1.05 0.00 0.00 0.00 179.25 180.47 5msi h GLU 35 N 0.00 0.00 -0.04 0.00 4.11 -1.90 -1.74 114.58 115.01 5msi h GLU 35 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 5msi h GLU 35 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 5msi h GLU 35 CO -0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 5msi n ASP 36 N -2.72 0.89 -0.18 3.06 8.00 -0.44 -4.37 116.55 120.80 5msi n ASP 36 Ca -0.01 -1.40 -0.01 0.00 0.71 0.00 0.00 54.79 54.08 5msi n ASP 36 Cb 0.12 -0.02 0.09 0.00 -0.02 0.00 0.00 41.12 41.28 5msi n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 5msi h ILE 37 N 1.31 0.65 -0.84 0.53 2.04 -1.48 -1.34 117.51 118.38 5msi h ILE 37 Ca 0.00 -0.07 0.14 0.00 1.00 0.00 0.00 64.86 65.93 5msi h ILE 37 Cb 0.28 0.42 -0.14 0.00 -0.74 0.00 0.00 36.82 36.63 5msi h ILE 37 CO 0.00 0.04 -0.28 -2.65 0.00 0.00 0.00 178.15 175.26 5msi n PRO 38 N -5.16 -0.15 -0.19 2.37 -0.02 -1.26 -2.05 135.00 128.54 5msi n PRO 38 Ca 0.07 1.29 -0.03 0.00 -2.02 0.00 0.00 63.50 62.81 5msi n PRO 38 Cb 0.29 -1.92 0.16 0.00 -0.02 0.00 0.00 33.50 32.00 5msi n PRO 38 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 5msi h ARG 39 N 0.00 0.96 0.00 -0.52 2.43 -1.56 -3.13 114.38 112.57 5msi h ARG 39 Ca 0.33 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 5msi h ARG 39 Cb 0.54 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 5msi h ARG 39 CO -0.84 0.81 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.18 5msi h LEU 40 N 0.94 0.00 -9.59 3.80 4.07 -0.95 -3.44 115.31 110.12 5msi h LEU 40 Ca 0.21 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.63 5msi h LEU 40 Cb 0.23 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.03 5msi h LEU 40 CO -0.01 0.18 0.92 0.52 -1.08 0.00 0.00 178.44 178.97 5msi n VAL 41 N -3.25 0.01 -0.71 1.22 0.31 -1.16 -1.25 118.33 113.50 5msi n VAL 41 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 5msi n VAL 41 Cb 0.47 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 5msi n VAL 41 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 5msi n SER 42 N 3.72 0.00 -4.85 4.52 7.64 0.22 -4.93 113.62 119.93 5msi n SER 42 Ca 0.16 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.73 5msi n SER 42 Cb 0.32 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 5msi n SER 42 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 5msi s MET 43 N -0.22 3.79 0.09 1.43 1.00 -0.38 -4.58 119.30 120.43 5msi s MET 43 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 55.69 56.64 5msi s MET 43 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 34.83 32.68 5msi s MET 43 CO 0.00 -0.41 0.01 -0.65 0.00 0.00 0.00 175.02 173.97 5msi s GLN 44 N -4.45 2.58 0.18 2.03 -0.21 -1.26 -0.90 119.66 117.63 5msi s GLN 44 Ca 0.58 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 5msi s GLN 44 Cb -0.11 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.28 5msi s GLN 44 CO 0.39 0.54 0.45 0.14 -2.12 0.00 0.00 175.29 174.69 5msi s VAL 45 N -1.32 5.07 -2.66 1.09 -7.23 -1.16 -0.57 120.40 113.62 5msi s VAL 45 Ca 0.26 0.20 0.24 0.00 -1.81 0.00 0.00 61.98 60.87 5msi s VAL 45 Cb -0.12 -3.62 0.36 0.00 0.56 0.00 0.00 36.38 33.56 5msi s VAL 45 CO 0.19 -0.01 1.43 -0.46 -0.31 0.00 0.00 175.10 175.94 5msi n ASN 46 N -0.02 2.67 -3.76 4.85 2.04 -0.32 -1.25 115.26 119.48 5msi n ASN 46 Ca -0.01 -1.87 -0.10 0.00 -0.44 0.00 0.00 54.58 52.16 5msi n ASN 46 Cb 0.52 -0.09 -0.06 0.00 -2.53 0.00 0.00 39.78 37.62 5msi n ASN 46 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 5msi s ARG 47 N -1.83 0.98 0.24 -3.83 1.70 -1.26 -4.79 118.95 110.17 5msi s ARG 47 Ca 0.33 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 5msi s ARG 47 Cb 0.21 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.90 5msi s ARG 47 CO 0.31 -0.35 1.28 0.00 -1.08 0.00 0.00 175.30 175.45 5msi s ALA 48 N -3.84 3.50 -0.36 7.88 0.00 -1.26 -4.19 121.76 123.48 5msi s ALA 48 Ca 0.05 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 5msi s ALA 48 Cb 0.03 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.78 5msi s ALA 48 CO -0.11 -0.51 0.12 0.08 0.00 0.00 0.00 175.76 175.34 5msi s VAL 49 N -0.39 3.07 0.77 0.00 1.01 0.77 -4.93 120.40 120.69 5msi s VAL 49 Ca 0.53 -1.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 5msi s VAL 49 Cb -0.37 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.03 5msi s VAL 49 CO 0.42 -0.48 0.96 -2.65 0.00 0.00 0.00 175.10 173.35 5msi n PRO 50 N 4.56 0.32 -1.63 2.72 -0.02 -1.26 -0.61 135.00 139.08 5msi n PRO 50 Ca -0.05 0.17 -0.48 0.00 -2.02 0.00 0.00 63.50 61.12 5msi n PRO 50 Cb 0.42 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 5msi n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 5msi n LEU 51 N -2.04 2.38 0.00 2.45 7.94 -1.26 -2.11 117.00 124.36 5msi n LEU 51 Ca 0.12 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 5msi n LEU 51 Cb 0.50 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.13 5msi n LEU 51 CO 0.49 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.64 5msi n GLY 52 N 2.65 0.97 3.75 -3.96 0.00 -0.37 -4.98 105.19 103.25 5msi n GLY 52 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 5msi n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5msi s THR 53 N -3.37 4.08 -0.01 2.61 2.01 -0.90 -4.73 115.64 115.33 5msi s THR 53 Ca 0.00 2.06 -0.30 0.00 0.31 0.00 0.00 61.69 63.76 5msi s THR 53 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 5msi s THR 53 CO 0.00 0.48 1.27 -0.89 -0.69 0.00 0.00 174.62 174.79 5msi s THR 54 N -1.09 4.01 -0.04 -0.82 2.01 -1.26 -0.84 115.64 117.60 5msi s THR 54 Ca 0.42 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 5msi s THR 54 Cb -0.26 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 5msi s THR 54 CO 0.32 0.02 1.31 -0.76 -0.69 0.00 0.00 174.62 174.82 5msi s LEU 55 N 2.00 4.28 0.13 4.42 1.02 -0.39 -4.96 118.68 125.19 5msi s LEU 55 Ca 0.59 1.94 0.04 0.00 0.02 0.00 0.00 54.13 56.72 5msi s LEU 55 Cb -0.28 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.33 5msi s LEU 55 CO 0.25 -0.67 0.13 -0.04 0.02 0.00 0.00 176.35 176.04 5msi s MET 56 N 2.50 2.96 0.32 1.70 -1.94 -1.26 -0.56 119.30 123.02 5msi s MET 56 Ca 0.60 -0.77 0.07 0.00 -1.71 0.00 0.00 55.69 53.87 5msi s MET 56 Cb -0.27 -2.71 0.75 0.00 2.01 0.00 0.00 34.83 34.60 5msi s MET 56 CO 0.23 0.52 1.83 -1.35 -0.01 0.00 0.00 175.02 176.24 5msi h PRO 57 N 2.68 0.75 0.00 2.03 0.11 -1.95 -1.30 132.00 134.32 5msi h PRO 57 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 5msi h PRO 57 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 5msi h PRO 57 CO 0.65 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 5msi n ASP 58 N -4.64 0.00 0.02 -2.05 5.75 -1.26 -2.71 116.55 111.66 5msi n ASP 58 Ca 0.20 0.34 0.12 0.00 -0.01 0.00 0.00 54.79 55.44 5msi n ASP 58 Cb 0.50 -0.43 0.27 0.00 -1.03 0.00 0.00 41.12 40.44 5msi n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 5msi n MET 59 N -1.43 0.09 -4.46 0.11 2.81 -0.49 -4.86 117.12 108.89 5msi n MET 59 Ca 0.06 0.03 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 5msi n MET 59 Cb 0.19 -1.56 -0.15 0.00 -0.71 0.00 0.00 33.22 30.99 5msi n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 5msi s VAL 60 N -3.05 2.75 -0.00 2.03 1.01 -1.10 -1.17 120.40 120.86 5msi s VAL 60 Ca 0.10 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 5msi s VAL 60 Cb 0.16 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 5msi s VAL 60 CO 0.68 0.51 1.45 -0.54 0.00 0.00 0.00 175.10 177.20 5msi s LYS 61 N 0.86 4.26 0.00 2.72 1.02 0.27 -2.74 119.74 126.12 5msi s LYS 61 Ca -0.04 2.01 0.00 0.00 0.02 0.00 0.00 55.97 57.96 5msi s LYS 61 Cb -0.15 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 5msi s LYS 61 CO -0.01 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 5msi n GLY 62 N 3.73 0.76 3.75 -3.33 0.00 -1.26 -4.41 105.19 104.42 5msi n GLY 62 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 5msi n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 5msi s TYR 63 N -2.77 3.78 -0.18 1.61 5.04 -1.11 -5.03 117.35 118.69 5msi s TYR 63 Ca 0.00 1.57 -0.14 0.00 -2.44 0.00 0.00 57.07 56.07 5msi s TYR 63 Cb 0.00 -2.87 0.05 0.00 0.35 0.00 0.00 41.96 39.50 5msi s TYR 63 CO 0.00 0.29 0.47 0.00 -1.34 0.00 0.00 175.55 174.97 5msi s ALA 64 N -0.20 -1.18 -1.25 3.97 0.00 -1.26 -4.97 121.76 116.87 5msi s ALA 64 Ca 0.40 1.49 0.10 0.00 0.00 0.00 0.00 51.96 53.95 5msi s ALA 64 Cb -0.22 -0.88 0.08 0.00 0.00 0.00 0.00 23.12 22.10 5msi s ALA 64 CO 0.25 -0.25 0.82 0.00 0.00 0.00 0.00 175.76 176.58