#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpu s SER 2 N 0.00 2.37 -0.25 4.04 0.15 -1.26 -4.88 113.70 113.86 2kpu s SER 2 Ca 0.00 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 55.88 2kpu s SER 2 Cb 0.00 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2kpu s SER 2 CO 0.00 0.00 0.01 -1.10 1.20 0.00 0.00 173.24 173.36 2kpu s GLN 3 N -2.08 3.36 0.00 5.44 -0.21 -1.26 -4.94 119.66 119.96 2kpu s GLN 3 Ca 0.07 -0.66 0.13 0.00 0.02 0.00 0.00 55.36 54.92 2kpu s GLN 3 Cb -0.09 -3.17 0.65 0.00 1.00 0.00 0.00 33.01 31.40 2kpu s GLN 3 CO 0.04 -0.26 1.44 0.25 -2.12 0.00 0.00 175.29 174.64 2kpu n THR 4 N 4.84 0.11 0.45 -0.19 -2.24 -1.26 -3.18 114.28 112.81 2kpu n THR 4 Ca -0.17 -0.14 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2kpu n THR 4 Cb 0.50 -0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.87 2kpu n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kpu n LEU 5 N -0.30 2.96 -4.43 3.22 4.77 -1.26 -4.93 117.00 117.03 2kpu n LEU 5 Ca 0.11 -1.32 -0.31 0.00 -0.03 0.00 0.00 56.01 54.45 2kpu n LEU 5 Cb 0.14 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2kpu n LEU 5 CO 0.08 0.60 -0.51 -0.62 -1.33 0.00 0.00 177.39 175.62 2kpu s ASP 6 N -1.43 3.66 0.44 -1.43 -1.08 -1.19 -5.02 116.67 110.62 2kpu s ASP 6 Ca 0.29 -0.43 0.16 0.00 -0.52 0.00 0.00 52.55 52.04 2kpu s ASP 6 Cb 0.18 -0.56 1.01 0.00 -1.46 0.00 0.00 42.92 42.09 2kpu s ASP 6 CO 0.26 0.27 1.97 -0.09 0.52 0.00 0.00 175.17 178.09 2kpu h ARG 7 N 4.73 0.00 -2.00 4.34 2.43 -1.91 -3.39 114.38 118.58 2kpu h ARG 7 Ca -0.47 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.34 2kpu h ARG 7 Cb 1.15 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.38 2kpu h ARG 7 CO 0.47 0.21 -0.67 0.16 -1.51 0.00 0.00 179.97 178.63 2kpu s ASP 8 N -6.87 1.30 0.83 -3.80 -4.77 -1.26 -0.64 116.67 101.46 2kpu s ASP 8 Ca -0.04 -1.35 -0.12 0.00 -3.30 0.00 0.00 52.55 47.74 2kpu s ASP 8 Cb 0.15 0.55 0.09 0.00 -1.09 0.00 0.00 42.92 42.62 2kpu s ASP 8 CO 0.69 -0.29 1.17 -2.16 0.70 0.00 0.00 175.17 175.27 2kpu s PRO 9 N 1.69 1.83 -0.44 2.11 0.04 -1.15 -4.76 135.00 134.31 2kpu s PRO 9 Ca 0.15 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 2kpu s PRO 9 Cb -0.15 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.55 2kpu s PRO 9 CO -0.11 -1.70 0.31 0.99 0.04 0.00 0.00 177.00 176.53 2kpu s THR 10 N -3.52 4.45 0.07 1.26 2.01 -1.26 -2.33 115.64 116.32 2kpu s THR 10 Ca 0.62 -1.42 -0.27 0.00 0.31 0.00 0.00 61.69 60.93 2kpu s THR 10 Cb -0.12 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 2kpu s THR 10 CO 0.50 -0.59 0.83 -0.76 -0.69 0.00 0.00 174.62 173.90 2kpu s LEU 11 N 1.46 4.47 -0.39 4.42 1.43 -0.57 -4.82 118.68 124.68 2kpu s LEU 11 Ca 0.04 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 2kpu s LEU 11 Cb -0.24 -3.34 0.08 0.00 0.03 0.00 0.00 46.19 42.71 2kpu s LEU 11 CO 0.02 -0.01 0.18 -0.89 0.23 0.00 0.00 176.35 175.89 2kpu s THR 12 N -0.06 3.64 0.21 5.49 2.01 -1.26 -0.95 115.64 124.72 2kpu s THR 12 Ca 0.41 -1.60 0.06 0.00 0.31 0.00 0.00 61.69 60.87 2kpu s THR 12 Cb -0.21 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2kpu s THR 12 CO 0.25 -0.47 0.20 -0.76 -0.69 0.00 0.00 174.62 173.15 2kpu s LEU 13 N 1.29 3.91 0.11 4.42 1.43 -0.63 -4.90 118.68 124.31 2kpu s LEU 13 Ca 0.03 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 2kpu s LEU 13 Cb -0.22 -2.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 2kpu s LEU 13 CO -0.01 0.00 0.52 -0.44 0.23 0.00 0.00 176.35 176.65 2kpu s SER 14 N -3.56 6.83 -0.08 2.29 0.01 -1.26 0.07 113.70 117.99 2kpu s SER 14 Ca 0.32 1.05 -0.17 0.00 1.31 0.00 0.00 55.95 58.47 2kpu s SER 14 Cb -0.09 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2kpu s SER 14 CO 0.25 0.16 0.44 -0.22 0.41 0.00 0.00 173.24 174.28 2kpu s LEU 15 N -1.75 4.34 0.18 2.44 2.96 -0.79 -1.67 118.68 124.39 2kpu s LEU 15 Ca 0.34 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.13 2kpu s LEU 15 Cb -0.16 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 2kpu s LEU 15 CO 0.18 0.11 -0.05 0.27 -1.32 0.00 0.00 176.35 175.55 2kpu s ILE 16 N 0.06 1.01 -0.21 6.68 -4.36 0.62 -4.75 121.20 120.25 2kpu s ILE 16 Ca 0.24 -2.03 -0.13 0.00 -0.26 0.00 0.00 60.65 58.47 2kpu s ILE 16 Cb -0.16 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 2kpu s ILE 16 CO 0.11 -0.57 0.27 0.00 0.24 0.00 0.00 174.94 174.99 2kpu s ALA 17 N -3.43 3.59 -0.02 2.27 0.00 -1.26 -1.18 121.76 121.74 2kpu s ALA 17 Ca 0.22 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2kpu s ALA 17 Cb 0.04 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 2kpu s ALA 17 CO 0.03 -0.16 -0.20 0.21 0.00 0.00 0.00 175.76 175.64 2kpu s LYS 18 N 1.01 1.67 -1.57 0.00 2.20 -0.74 -4.61 119.74 117.70 2kpu s LYS 18 Ca 0.13 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2kpu s LYS 18 Cb -0.14 -1.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 2kpu s LYS 18 CO 0.05 0.43 0.00 0.09 -0.36 0.00 0.00 175.35 175.57 2kpu n ASN 19 N 2.60 -5.00 -4.65 1.43 4.13 -1.26 -2.01 115.26 110.50 2kpu n ASN 19 Ca -0.15 0.37 -0.42 0.00 1.68 0.00 0.00 54.58 56.05 2kpu n ASN 19 Cb 0.53 -3.80 -0.04 0.00 -1.54 0.00 0.00 39.78 34.93 2kpu n ASN 19 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2kpu s THR 20 N -2.48 4.81 1.05 3.41 2.01 -1.26 -3.95 115.64 119.23 2kpu s THR 20 Ca 0.00 1.67 -0.17 0.00 0.31 0.00 0.00 61.69 63.50 2kpu s THR 20 Cb 0.00 -4.16 0.23 0.00 0.01 0.00 0.00 72.50 68.58 2kpu s THR 20 CO 0.00 -0.08 1.23 -2.16 -0.69 0.00 0.00 174.62 172.92 2kpu s PRO 21 N 2.82 -0.01 0.16 4.92 0.04 -1.26 -4.97 135.00 136.69 2kpu s PRO 21 Ca 0.37 -0.24 0.26 0.00 0.04 0.00 0.00 61.00 61.42 2kpu s PRO 21 Cb -0.15 -1.75 0.66 0.00 0.04 0.00 0.00 34.50 33.30 2kpu s PRO 21 CO 0.08 -2.88 1.62 0.00 0.04 0.00 0.00 177.00 175.86 2kpu n ALA 22 N -4.13 2.55 0.49 8.56 0.00 -1.26 -3.49 120.51 123.23 2kpu n ALA 22 Ca 0.14 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2kpu n ALA 22 Cb 0.59 -1.36 0.39 0.00 0.00 0.00 0.00 19.45 19.07 2kpu n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kpu h ASN 23 N 0.00 0.00 -3.61 0.00 2.35 -1.95 -3.43 115.58 108.94 2kpu h ASN 23 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 2kpu h ASN 23 Cb 0.72 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.81 2kpu h ASN 23 CO 0.00 0.00 -0.65 -0.94 -1.65 0.00 0.00 177.43 174.19 2kpu s SER 24 N -4.91 5.00 -0.23 5.81 1.04 -1.23 -2.78 113.70 116.40 2kpu s SER 24 Ca 0.08 -0.88 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 2kpu s SER 24 Cb 0.10 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 2kpu s SER 24 CO 0.58 -0.22 0.11 -0.32 0.98 0.00 0.00 173.24 174.37 2kpu s MET 25 N 1.43 3.89 -0.26 4.02 1.75 -0.30 -4.82 119.30 125.01 2kpu s MET 25 Ca 0.01 -0.37 -0.23 0.00 -1.25 0.00 0.00 55.69 53.85 2kpu s MET 25 Cb -0.18 -3.40 -0.01 0.00 2.84 0.00 0.00 34.83 34.08 2kpu s MET 25 CO 0.01 -0.00 0.76 0.42 -0.65 0.00 0.00 175.02 175.55 2kpu s ILE 26 N 1.17 4.88 -0.09 10.11 1.01 -1.26 0.22 121.20 137.24 2kpu s ILE 26 Ca 0.06 1.36 0.12 0.00 0.00 0.00 0.00 60.65 62.19 2kpu s ILE 26 Cb -0.14 -4.06 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 2kpu s ILE 26 CO 0.04 -0.07 0.50 0.23 0.00 0.00 0.00 174.94 175.64 2kpu n MET 27 N 5.94 0.65 -2.19 2.79 2.81 -0.07 -4.78 117.12 122.26 2kpu n MET 27 Ca 0.03 0.23 -0.41 0.00 -1.81 0.00 0.00 57.70 55.74 2kpu n MET 27 Cb 0.48 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 2kpu n MET 27 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2kpu s THR 28 N -2.57 3.61 0.14 2.03 2.01 -1.22 -4.96 115.64 114.68 2kpu s THR 28 Ca -0.07 0.53 -0.31 0.00 0.31 0.00 0.00 61.69 62.14 2kpu s THR 28 Cb 0.07 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 2kpu s THR 28 CO 0.82 -0.86 1.54 -0.54 -0.69 0.00 0.00 174.62 174.88 2kpu s LYS 29 N 5.90 4.24 0.04 4.92 1.02 -1.26 -4.91 119.74 129.68 2kpu s LYS 29 Ca 0.64 2.29 -0.30 0.00 0.02 0.00 0.00 55.97 58.62 2kpu s LYS 29 Cb -0.14 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 33.89 2kpu s LYS 29 CO 0.27 -0.58 1.30 -0.51 -0.92 0.00 0.00 175.35 174.91 2kpu s LEU 30 N 1.28 4.34 0.00 3.17 1.43 -1.26 -5.03 118.68 122.61 2kpu s LEU 30 Ca 0.69 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 2kpu s LEU 30 Cb -0.42 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.23 2kpu s LEU 30 CO 0.31 -0.60 0.00 -0.81 0.23 0.00 0.00 176.35 175.48 2kpu n PRO 31 N 4.57 2.20 -4.07 1.29 -0.04 -1.26 -4.87 135.00 132.82 2kpu n PRO 31 Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 2kpu n PRO 31 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 2kpu n PRO 31 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kpu s SER 32 N -1.00 5.74 0.15 3.54 1.04 -1.26 -1.88 113.70 120.02 2kpu s SER 32 Ca 0.00 -0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.37 2kpu s SER 32 Cb 0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 2kpu s SER 32 CO 0.00 -0.02 -0.04 0.68 0.98 0.00 0.00 173.24 174.84 2kpu s VAL 33 N -2.00 3.60 -0.47 5.02 -7.23 0.11 -4.89 120.40 114.55 2kpu s VAL 33 Ca 0.33 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2kpu s VAL 33 Cb -0.09 -2.76 0.12 0.00 0.56 0.00 0.00 36.38 34.21 2kpu s VAL 33 CO 0.26 -0.02 0.27 -0.13 -0.31 0.00 0.00 175.10 175.16 2kpu s ARG 34 N -2.66 2.15 -0.45 4.82 0.52 -0.83 -1.61 118.95 120.90 2kpu s ARG 34 Ca 0.25 -2.01 -0.17 0.00 -0.52 0.00 0.00 55.73 53.28 2kpu s ARG 34 Cb -0.10 -3.62 0.04 0.00 0.52 0.00 0.00 34.95 31.79 2kpu s ARG 34 CO 0.17 -1.10 0.47 0.14 0.02 0.00 0.00 175.30 174.99 2kpu s VAL 35 N 0.81 5.08 0.07 3.52 -7.23 -0.12 -3.91 120.40 118.62 2kpu s VAL 35 Ca 0.11 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 2kpu s VAL 35 Cb -0.22 -4.11 -0.06 0.00 0.56 0.00 0.00 36.38 32.55 2kpu s VAL 35 CO -0.04 -0.54 1.16 -0.54 -0.31 0.00 0.00 175.10 174.83 2kpu s LYS 36 N 2.13 4.47 -0.04 4.82 -0.14 -1.15 -1.51 119.74 128.31 2kpu s LYS 36 Ca 0.11 1.72 0.01 0.00 -1.36 0.00 0.00 55.97 56.45 2kpu s LYS 36 Cb -0.19 -3.35 0.02 0.00 -1.68 0.00 0.00 37.83 32.64 2kpu s LYS 36 CO 0.12 -0.18 -0.03 0.95 -0.76 0.00 0.00 175.35 175.45 2kpu s THR 37 N 0.83 0.44 -0.84 2.17 -4.23 -0.98 0.11 115.64 113.14 2kpu s THR 37 Ca 0.56 -0.05 -0.22 0.00 -1.18 0.00 0.00 61.69 60.81 2kpu s THR 37 Cb -0.29 -0.50 0.09 0.00 1.34 0.00 0.00 72.50 73.14 2kpu s THR 37 CO 0.30 0.21 1.15 -1.61 -0.54 0.00 0.00 174.62 174.13 2kpu s GLU 38 N 1.07 3.40 0.00 3.99 2.02 0.24 -2.92 118.70 126.49 2kpu s GLU 38 Ca -0.09 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2kpu s GLU 38 Cb -0.14 -4.70 0.00 0.00 0.10 0.00 0.00 34.13 29.39 2kpu s GLU 38 CO -0.01 -1.90 0.00 0.41 0.02 0.00 0.00 175.26 173.78 2kpu n GLY 39 N 5.69 3.28 3.58 -1.39 0.00 0.19 -2.05 105.19 114.48 2kpu n GLY 39 Ca 0.14 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2kpu n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kpu s TYR 40 N -2.00 3.23 -0.57 1.61 1.51 -1.26 -4.54 117.35 115.33 2kpu s TYR 40 Ca 0.00 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.21 2kpu s TYR 40 Cb 0.00 -2.48 0.16 0.00 -0.11 0.00 0.00 41.96 39.53 2kpu s TYR 40 CO 0.00 -0.25 0.40 0.54 -1.11 0.00 0.00 175.55 175.13 2kpu s ASN 41 N 1.72 3.69 0.12 2.29 2.20 -1.26 -4.85 114.94 118.85 2kpu s ASN 41 Ca 0.09 -3.39 0.24 0.00 -0.94 0.00 0.00 52.86 48.86 2kpu s ASN 41 Cb -0.16 -1.21 0.23 0.00 -2.00 0.00 0.00 41.25 38.10 2kpu s ASN 41 CO 0.11 -0.15 1.22 1.55 -2.94 0.00 0.00 177.10 176.89 2kpu h PRO 42 N 5.75 0.00 -0.65 3.55 0.13 -1.97 -3.35 132.00 135.46 2kpu h PRO 42 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kpu h PRO 42 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2kpu h PRO 42 CO 0.58 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.80 2kpu n SER 43 N -2.19 4.57 -4.19 1.44 2.88 -1.26 -4.89 113.62 109.98 2kpu n SER 43 Ca 0.02 -2.47 -0.27 0.00 -1.33 0.00 0.00 58.87 54.82 2kpu n SER 43 Cb 0.46 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 63.19 2kpu n SER 43 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kpu s ILE 44 N -1.94 1.58 -0.35 2.46 1.01 -1.26 -5.11 121.20 117.59 2kpu s ILE 44 Ca 0.48 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 2kpu s ILE 44 Cb 0.32 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 2kpu s ILE 44 CO 0.22 0.45 0.47 0.20 0.00 0.00 0.00 174.94 176.28 2kpu s ASN 45 N -0.27 6.27 0.36 3.58 0.02 -1.26 -4.93 114.94 118.71 2kpu s ASN 45 Ca 0.03 -0.13 0.19 0.00 -1.02 0.00 0.00 52.86 51.92 2kpu s ASN 45 Cb -0.10 -2.25 0.45 0.00 0.02 0.00 0.00 41.25 39.37 2kpu s ASN 45 CO 0.01 -0.45 1.62 -0.37 0.02 0.00 0.00 177.10 177.92 2kpu h VAL 46 N 5.61 0.69 0.00 1.60 -1.51 -1.95 -2.27 116.25 118.41 2kpu h VAL 46 Ca -0.28 -1.67 -0.07 0.00 -1.23 0.00 0.00 66.70 63.45 2kpu h VAL 46 Cb 1.13 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.39 2kpu h VAL 46 CO 0.76 0.34 -0.35 -1.13 -1.23 0.00 0.00 177.57 175.96 2kpu h ASN 47 N 0.00 0.00 0.58 4.19 -1.24 -1.91 -3.21 115.58 113.98 2kpu h ASN 47 Ca -0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.72 2kpu h ASN 47 Cb 1.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 2kpu h ASN 47 CO 0.05 0.35 -1.42 -0.08 -1.29 0.00 0.00 177.43 175.04 2kpu h GLU 48 N 0.00 0.18 -6.40 6.67 4.81 -1.90 -3.45 114.58 114.49 2kpu h GLU 48 Ca -0.00 -0.31 -0.54 0.00 -0.13 0.00 0.00 59.36 58.38 2kpu h GLU 48 Cb 1.03 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2kpu h GLU 48 CO 0.05 1.04 0.80 -0.51 -0.73 0.00 0.00 179.01 179.66 2kpu s LEU 49 N -6.86 4.33 0.08 1.64 1.43 -0.89 -5.01 118.68 113.40 2kpu s LEU 49 Ca -0.06 2.14 0.08 0.00 -1.03 0.00 0.00 54.13 55.25 2kpu s LEU 49 Cb 0.08 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2kpu s LEU 49 CO 0.85 -0.69 -0.17 -0.36 0.23 0.00 0.00 176.35 176.20 2kpu s PHE 50 N 2.14 2.56 -0.20 0.29 0.08 -1.26 -4.38 117.98 117.21 2kpu s PHE 50 Ca 0.64 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 2kpu s PHE 50 Cb -0.32 -1.40 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2kpu s PHE 50 CO 0.27 0.33 -0.02 0.00 -0.10 0.00 0.00 175.22 175.70 2kpu s ALA 51 N -1.05 2.95 0.27 5.36 0.00 -0.67 -2.40 121.76 126.21 2kpu s ALA 51 Ca 0.17 -1.01 0.11 0.00 0.00 0.00 0.00 51.96 51.23 2kpu s ALA 51 Cb -0.11 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2kpu s ALA 51 CO 0.08 -0.15 -0.18 1.52 0.00 0.00 0.00 175.76 177.03 2kpu s TYR 52 N 1.01 2.16 -0.19 0.00 -0.85 0.40 -0.27 117.35 119.61 2kpu s TYR 52 Ca 0.01 -0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.14 2kpu s TYR 52 Cb -0.14 -0.97 -0.01 0.00 0.38 0.00 0.00 41.96 41.22 2kpu s TYR 52 CO 0.01 0.63 -0.07 0.14 -1.52 0.00 0.00 175.55 174.74 2kpu s VAL 53 N -2.62 3.33 -0.48 -3.49 -7.23 -0.32 0.24 120.40 109.81 2kpu s VAL 53 Ca 0.28 -0.53 -0.24 0.00 -1.81 0.00 0.00 61.98 59.68 2kpu s VAL 53 Cb -0.04 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.46 2kpu s VAL 53 CO 0.13 0.46 0.89 -0.62 -0.31 0.00 0.00 175.10 175.65 2kpu s ASP 54 N 1.10 6.43 -0.49 4.85 -1.08 -1.26 -1.80 116.67 124.42 2kpu s ASP 54 Ca 0.01 -0.09 0.03 0.00 -0.52 0.00 0.00 52.55 51.98 2kpu s ASP 54 Cb -0.15 -2.43 0.53 0.00 -1.46 0.00 0.00 42.92 39.42 2kpu s ASP 54 CO -0.01 -1.06 1.79 0.18 0.52 0.00 0.00 175.17 176.59 2kpu n LEU 55 N 7.12 6.41 -4.59 -1.34 4.32 -0.85 -4.85 117.00 123.22 2kpu n LEU 55 Ca 0.04 -4.04 -0.42 0.00 -0.02 0.00 0.00 56.01 51.57 2kpu n LEU 55 Cb 0.48 -0.80 -0.03 0.00 -1.62 0.00 0.00 43.42 41.46 2kpu n LEU 55 CO 0.62 1.38 1.70 -0.44 -1.22 0.00 0.00 177.39 179.43 2kpu s SER 56 N -2.01 5.51 0.00 -1.43 0.01 -1.25 -2.38 113.70 112.15 2kpu s SER 56 Ca 0.57 1.34 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2kpu s SER 56 Cb 0.47 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2kpu s SER 56 CO 0.03 -2.01 0.00 0.61 0.41 0.00 0.00 173.24 172.29 2kpu n GLY 57 N 5.63 0.54 3.48 3.44 0.00 -1.26 -5.05 105.19 111.97 2kpu n GLY 57 Ca 0.26 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2kpu n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kpu s SER 58 N -2.73 5.94 -0.03 1.61 1.04 -1.00 -5.06 113.70 113.46 2kpu s SER 58 Ca 0.00 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.53 2kpu s SER 58 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 2kpu s SER 58 CO 0.00 -0.29 1.02 -0.70 0.98 0.00 0.00 173.24 174.25 2kpu s GLU 59 N 1.68 4.49 -0.74 4.02 2.12 -1.26 -4.79 118.70 124.23 2kpu s GLU 59 Ca 0.05 1.45 -0.29 0.00 0.36 0.00 0.00 54.97 56.55 2kpu s GLU 59 Cb -0.18 -3.48 -0.15 0.00 0.26 0.00 0.00 34.13 30.58 2kpu s GLU 59 CO 0.09 -0.17 2.55 -0.35 -0.54 0.00 0.00 175.26 176.84 2kpu n PRO 60 N 4.33 0.52 -3.82 4.30 -0.04 -1.26 -4.80 135.00 134.23 2kpu n PRO 60 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2kpu n PRO 60 Cb 0.50 -2.46 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 2kpu n PRO 60 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kpu s GLY 61 N 10.53 -0.29 -0.37 0.55 0.00 -0.94 -4.67 107.32 112.12 2kpu s GLY 61 Ca 1.17 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 46.02 2kpu s GLY 61 CO 0.38 3.46 1.08 1.85 0.00 0.00 0.00 173.10 179.87 2kpu s GLU 62 N -2.11 3.95 0.12 2.90 2.12 -1.25 -2.18 118.70 122.26 2kpu s GLU 62 Ca 0.23 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.49 2kpu s GLU 62 Cb 0.03 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2kpu s GLU 62 CO -0.03 -1.04 -0.08 -1.01 -0.54 0.00 0.00 175.26 172.56 2kpu s HIS 63 N 3.87 1.04 -0.45 5.30 3.76 -0.75 -4.96 115.29 123.12 2kpu s HIS 63 Ca 0.46 -0.86 -0.17 0.00 -0.15 0.00 0.00 55.06 54.34 2kpu s HIS 63 Cb -0.11 -0.57 0.04 0.00 1.11 0.00 0.00 32.58 33.05 2kpu s HIS 63 CO 0.20 -0.06 0.46 0.34 -0.85 0.00 0.00 174.74 174.83 2kpu s ASP 64 N -3.10 6.19 0.14 1.40 2.15 -1.26 -0.18 116.67 122.00 2kpu s ASP 64 Ca 0.14 -0.86 0.06 0.00 0.43 0.00 0.00 52.55 52.32 2kpu s ASP 64 Cb 0.04 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 2kpu s ASP 64 CO -0.02 -0.65 0.01 -0.31 -0.17 0.00 0.00 175.17 174.02 2kpu s TYR 65 N 2.12 2.92 0.23 -5.34 2.02 0.13 -4.89 117.35 114.54 2kpu s TYR 65 Ca 0.11 -0.09 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 2kpu s TYR 65 Cb -0.19 -1.45 -0.09 0.00 -0.40 0.00 0.00 41.96 39.83 2kpu s TYR 65 CO 0.12 0.50 0.95 -1.21 -1.57 0.00 0.00 175.55 174.33 2kpu s GLU 66 N -2.67 4.84 -0.25 -0.62 2.02 -1.26 -0.28 118.70 120.48 2kpu s GLU 66 Ca 0.27 1.49 -0.18 0.00 0.02 0.00 0.00 54.97 56.57 2kpu s GLU 66 Cb -0.10 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2kpu s GLU 66 CO 0.19 0.48 0.52 0.08 0.02 0.00 0.00 175.26 176.54 2kpu s VAL 67 N -1.05 5.07 -0.29 2.63 1.01 0.45 -4.04 120.40 124.18 2kpu s VAL 67 Ca 0.42 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2kpu s VAL 67 Cb -0.26 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.35 2kpu s VAL 67 CO 0.32 0.09 -0.04 -0.54 0.00 0.00 0.00 175.10 174.94 2kpu s LYS 68 N 2.24 2.26 0.24 2.72 1.02 0.14 -4.86 119.74 123.50 2kpu s LYS 68 Ca 0.22 -1.37 -0.12 0.00 0.02 0.00 0.00 55.97 54.72 2kpu s LYS 68 Cb -0.16 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 2kpu s LYS 68 CO 0.09 -0.64 0.61 0.08 -0.92 0.00 0.00 175.35 174.57 2kpu s VAL 69 N 1.16 4.84 -0.02 3.17 1.01 -1.26 -0.45 120.40 128.84 2kpu s VAL 69 Ca -0.05 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 2kpu s VAL 69 Cb -0.20 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2kpu s VAL 69 CO -0.03 -0.04 1.93 -1.61 0.00 0.00 0.00 175.10 175.34 2kpu s GLU 70 N -2.69 4.01 0.10 2.72 0.41 -1.01 -4.90 118.70 117.34 2kpu s GLU 70 Ca 0.47 2.43 -0.35 0.00 -0.41 0.00 0.00 54.97 57.11 2kpu s GLU 70 Cb -0.12 -4.15 -0.15 0.00 -1.78 0.00 0.00 34.13 27.93 2kpu s GLU 70 CO 0.20 -1.09 1.52 -2.30 -0.49 0.00 0.00 175.26 173.10 2kpu n PRO 71 N 7.62 1.76 -3.27 0.39 -0.02 -1.26 -4.94 135.00 135.29 2kpu n PRO 71 Ca 0.21 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 2kpu n PRO 71 Cb 0.42 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 2kpu n PRO 71 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kpu s ILE 72 N 1.06 5.04 0.44 4.25 1.09 -1.26 -5.06 121.20 126.75 2kpu s ILE 72 Ca 0.82 0.27 -0.19 0.00 -1.10 0.00 0.00 60.65 60.45 2kpu s ILE 72 Cb -0.79 -3.95 -0.10 0.00 -1.06 0.00 0.00 42.46 36.56 2kpu s ILE 72 CO 0.43 -0.21 0.93 -2.84 -0.10 0.00 0.00 174.94 173.15 2kpu s PRO 73 N 2.33 4.13 0.00 2.79 0.02 -1.26 -4.19 135.00 138.82 2kpu s PRO 73 Ca 0.17 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.21 2kpu s PRO 73 Cb -0.16 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.16 2kpu s PRO 73 CO 0.13 -0.06 0.00 0.09 -0.33 0.00 0.00 177.00 176.83 2kpu n ASN 74 N -0.83 0.00 -4.79 2.53 3.02 -1.26 -4.88 115.26 109.05 2kpu n ASN 74 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 2kpu n ASN 74 Cb 0.54 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.65 2kpu n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kpu s ILE 75 N 0.00 5.06 -0.28 2.41 -1.09 -1.26 -4.98 121.20 121.06 2kpu s ILE 75 Ca 0.00 0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 59.11 2kpu s ILE 75 Cb 0.00 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2kpu s ILE 75 CO 0.00 0.48 0.73 -0.75 -1.23 0.00 0.00 174.94 174.17 2kpu s LYS 76 N -0.41 4.04 -0.15 2.79 2.20 -0.87 -4.78 119.74 122.55 2kpu s LYS 76 Ca 0.25 0.61 -0.28 0.00 -0.36 0.00 0.00 55.97 56.18 2kpu s LYS 76 Cb -0.16 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 2kpu s LYS 76 CO 0.13 -0.56 0.96 -1.50 -0.36 0.00 0.00 175.35 174.01 2kpu s ILE 77 N 2.77 4.79 -0.11 5.43 2.07 -1.26 0.80 121.20 135.68 2kpu s ILE 77 Ca 0.30 1.92 -0.05 0.00 -1.41 0.00 0.00 60.65 61.41 2kpu s ILE 77 Cb -0.15 -4.26 -0.02 0.00 0.13 0.00 0.00 42.46 38.16 2kpu s ILE 77 CO 0.10 -0.03 -0.10 0.58 -1.91 0.00 0.00 174.94 173.59 2kpu h VAL 78 N 5.19 0.00 -3.38 4.00 2.07 0.38 -3.47 116.25 121.03 2kpu h VAL 78 Ca -0.28 -0.91 -0.64 0.00 0.82 0.00 0.00 66.70 65.69 2kpu h VAL 78 Cb 1.12 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.70 2kpu h VAL 78 CO 0.87 0.00 -0.83 -1.61 0.02 0.00 0.00 177.57 176.03 2kpu s GLU 79 N -1.88 1.44 -0.07 1.57 2.02 -0.92 -4.93 118.70 115.92 2kpu s GLU 79 Ca -0.08 -1.45 0.10 0.00 0.02 0.00 0.00 54.97 53.55 2kpu s GLU 79 Cb 0.01 -1.76 0.15 0.00 0.10 0.00 0.00 34.13 32.64 2kpu s GLU 79 CO 0.12 0.39 1.05 1.51 0.02 0.00 0.00 175.26 178.35 2kpu n ILE 80 N 0.44 1.10 -1.95 -1.63 3.06 -1.26 -2.94 119.36 116.18 2kpu n ILE 80 Ca -0.14 -1.30 -0.41 0.00 -2.50 0.00 0.00 62.75 58.39 2kpu n ILE 80 Cb 0.55 0.14 -0.02 0.00 0.54 0.00 0.00 39.64 40.85 2kpu n ILE 80 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2kpu s SER 81 N -1.94 6.58 0.12 9.51 0.01 -1.25 -3.22 113.70 123.51 2kpu s SER 81 Ca 0.17 2.73 -0.30 0.00 1.31 0.00 0.00 55.95 59.86 2kpu s SER 81 Cb 0.15 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 2kpu s SER 81 CO 0.02 -0.76 1.12 -2.84 0.41 0.00 0.00 173.24 171.19 2kpu s PRO 82 N -0.28 4.53 0.15 12.44 0.02 -1.26 -1.96 135.00 148.64 2kpu s PRO 82 Ca 0.61 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 63.25 2kpu s PRO 82 Cb -0.43 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 30.74 2kpu s PRO 82 CO 0.43 -0.05 1.42 0.00 -0.33 0.00 0.00 177.00 178.47 2kpu h ARG 83 N 5.89 0.70 -4.33 5.54 3.08 -1.89 -3.42 114.38 119.94 2kpu h ARG 83 Ca -0.43 -0.49 -0.37 0.00 0.07 0.00 0.00 59.98 58.76 2kpu h ARG 83 Cb 1.21 0.07 -0.30 0.00 0.08 0.00 0.00 29.97 31.03 2kpu h ARG 83 CO 0.76 1.11 -0.77 0.08 -1.07 0.00 0.00 179.97 180.08 2kpu s VAL 84 N -3.93 0.54 0.01 2.04 1.01 -1.26 -0.41 120.40 118.39 2kpu s VAL 84 Ca -0.09 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2kpu s VAL 84 Cb 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2kpu s VAL 84 CO 0.87 0.18 -0.15 0.68 0.00 0.00 0.00 175.10 176.68 2kpu s VAL 85 N 0.21 1.15 -0.46 2.92 -7.23 0.62 -4.92 120.40 112.69 2kpu s VAL 85 Ca -0.02 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.18 2kpu s VAL 85 Cb -0.07 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.91 2kpu s VAL 85 CO -0.00 0.23 0.74 -0.89 -0.31 0.00 0.00 175.10 174.87 2kpu s THR 86 N -0.50 4.70 -0.24 5.32 2.01 -1.26 0.22 115.64 125.89 2kpu s THR 86 Ca 0.05 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.20 2kpu s THR 86 Cb -0.06 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2kpu s THR 86 CO 0.00 -0.72 0.16 -0.76 -0.69 0.00 0.00 174.62 172.61 2kpu s LEU 87 N 3.15 4.08 -0.71 4.42 1.43 0.74 -4.93 118.68 126.87 2kpu s LEU 87 Ca 0.27 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.23 2kpu s LEU 87 Cb -0.13 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.05 2kpu s LEU 87 CO 0.21 0.06 1.08 -1.10 0.23 0.00 0.00 176.35 176.83 2kpu s GLN 88 N 1.07 3.18 -0.04 1.70 -0.21 -1.26 -1.80 119.66 122.29 2kpu s GLN 88 Ca 0.07 -0.74 -0.12 0.00 0.02 0.00 0.00 55.36 54.59 2kpu s GLN 88 Cb -0.14 -4.30 -0.05 0.00 1.00 0.00 0.00 33.01 29.52 2kpu s GLN 88 CO 0.05 -1.92 0.32 -0.51 -2.12 0.00 0.00 175.29 171.10 2kpu s LEU 89 N 4.47 4.44 0.50 2.90 1.43 -0.92 -0.89 118.68 130.61 2kpu s LEU 89 Ca 0.27 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 2kpu s LEU 89 Cb -0.13 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2kpu s LEU 89 CO 0.10 0.35 0.09 -0.70 0.23 0.00 0.00 176.35 176.41 2kpu s GLU 90 N -1.03 2.18 0.42 1.70 2.12 0.13 -2.20 118.70 122.02 2kpu s GLU 90 Ca 0.21 -2.26 -0.17 0.00 0.36 0.00 0.00 54.97 53.11 2kpu s GLU 90 Cb -0.15 -1.68 -0.09 0.00 0.26 0.00 0.00 34.13 32.47 2kpu s GLU 90 CO 0.10 -0.35 0.87 -1.01 -0.54 0.00 0.00 175.26 174.33 2kpu s HIS 91 N -2.82 3.38 -1.08 5.30 3.76 -1.26 -1.15 115.29 121.42 2kpu s HIS 91 Ca 0.17 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 2kpu s HIS 91 Cb 0.02 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 31.02 2kpu s HIS 91 CO 0.09 -0.11 0.53 -2.39 -0.85 0.00 0.00 174.74 172.01 2kpu n HIS 92 N -0.87 0.00 0.11 1.40 1.44 -1.12 -2.96 115.22 113.23 2kpu n HIS 92 Ca 0.05 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.85 2kpu n HIS 92 Cb 0.54 -0.09 0.02 0.00 0.12 0.00 0.00 29.99 30.58 2kpu n HIS 92 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kpu h HIS 93 N 0.02 0.00 -2.90 -1.40 -0.00 -1.91 -3.48 115.15 105.48 2kpu h HIS 93 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2kpu h HIS 93 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2kpu h HIS 93 CO 0.00 0.17 -0.03 0.72 -0.00 0.00 0.00 177.93 178.79 2kpu n HIS 94 N -2.86 -0.00 -3.15 5.26 -0.00 -1.16 -5.15 115.22 108.16 2kpu n HIS 94 Ca -0.01 -0.18 0.04 0.00 -0.00 0.00 0.00 57.72 57.58 2kpu n HIS 94 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.61 2kpu n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpu s HIS 95 N -1.72 -1.26 -2.81 4.41 2.46 -1.26 -4.95 115.29 110.16 2kpu s HIS 95 Ca 0.02 1.21 0.25 0.00 0.47 0.00 0.00 55.06 57.01 2kpu s HIS 95 Cb 0.00 0.39 0.51 0.00 -0.13 0.00 0.00 32.58 33.35 2kpu s HIS 95 CO 0.01 -0.70 1.44 1.58 -2.47 0.00 0.00 174.74 174.60