#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s GLN 2 N 0.00 2.49 -0.28 3.17 -1.52 -1.26 -1.06 119.66 121.20 3cma s GLN 2 Ca 0.00 -1.59 -0.26 0.00 -1.95 0.00 0.00 55.36 51.55 3cma s GLN 2 Cb 0.00 -2.36 0.18 0.00 -0.22 0.00 0.00 33.01 30.61 3cma s GLN 2 CO 0.00 -0.27 1.33 1.41 -0.25 0.00 0.00 175.29 177.51 3cma s MET 3 N -4.17 0.16 0.19 2.91 -2.45 -0.27 -4.82 119.30 110.86 3cma s MET 3 Ca 0.47 0.14 -0.30 0.00 -1.25 0.00 0.00 55.69 54.75 3cma s MET 3 Cb -0.03 0.08 -0.08 0.00 1.25 0.00 0.00 34.83 36.04 3cma s MET 3 CO 0.28 -0.03 1.28 -1.25 1.05 0.00 0.00 175.02 176.35 3cma s PRO 4 N -0.29 4.41 0.37 4.11 0.04 -1.26 0.90 135.00 143.28 3cma s PRO 4 Ca 0.06 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.18 3cma s PRO 4 Cb -0.04 -3.21 0.73 0.00 0.04 0.00 0.00 34.50 32.03 3cma s PRO 4 CO -0.11 -0.22 1.94 -0.09 0.04 0.00 0.00 177.00 178.55 3cma h ARG 5 N 5.42 0.43 -4.53 4.56 9.65 -1.82 -3.43 114.38 124.66 3cma h ARG 5 Ca -0.44 -0.07 -0.28 0.00 -1.10 0.00 0.00 59.98 58.08 3cma h ARG 5 Cb 1.21 -0.07 -0.22 0.00 -1.39 0.00 0.00 29.97 29.50 3cma h ARG 5 CO 0.77 0.44 -0.74 1.03 2.80 0.00 0.00 179.97 184.28 3cma s ARG 6 N -5.02 0.51 -0.15 0.20 0.52 -1.26 0.19 118.95 113.94 3cma s ARG 6 Ca -0.07 -0.70 -0.34 0.00 -0.52 0.00 0.00 55.73 54.10 3cma s ARG 6 Cb 0.16 -0.30 0.13 0.00 0.52 0.00 0.00 34.95 35.46 3cma s ARG 6 CO 0.75 0.05 1.15 -0.59 0.02 0.00 0.00 175.30 176.68 3cma s PHE 7 N -1.25 -0.17 0.16 -0.53 -0.12 -0.40 -4.94 117.98 110.73 3cma s PHE 7 Ca -0.09 0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 3cma s PHE 7 Cb -0.09 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.75 3cma s PHE 7 CO 0.00 -0.27 0.97 -0.80 -0.05 0.00 0.00 175.22 175.07 3cma s ASN 8 N -2.25 7.51 0.05 1.98 0.01 -1.26 -0.03 114.94 120.95 3cma s ASN 8 Ca 0.09 1.88 -0.28 0.00 -0.71 0.00 0.00 52.86 53.84 3cma s ASN 8 Cb -0.01 -2.60 0.10 0.00 0.41 0.00 0.00 41.25 39.15 3cma s ASN 8 CO -0.05 -0.02 1.13 0.28 -1.51 0.00 0.00 177.10 176.93 3cma s THR 9 N -0.41 0.00 0.10 1.60 -1.32 -1.02 -4.93 115.64 109.66 3cma s THR 9 Ca 0.45 -0.39 -0.31 0.00 -1.21 0.00 0.00 61.69 60.23 3cma s THR 9 Cb -0.25 -1.91 -0.07 0.00 -1.51 0.00 0.00 72.50 68.76 3cma s THR 9 CO 0.31 0.00 1.32 -0.47 -2.21 0.00 0.00 174.62 173.58 3cma s TYR 10 N -2.82 3.31 -0.32 9.09 5.04 -1.26 -0.96 117.35 129.43 3cma s TYR 10 Ca 0.13 1.08 -0.06 0.00 -2.44 0.00 0.00 57.07 55.77 3cma s TYR 10 Cb 0.02 -3.59 0.03 0.00 0.35 0.00 0.00 41.96 38.76 3cma s TYR 10 CO -0.01 -2.00 0.08 0.00 -1.34 0.00 0.00 175.55 172.28 3cma n PRO 12 N 4.83 0.08 -0.06 0.00 -0.04 -1.26 0.20 135.00 138.74 3cma n PRO 12 Ca -0.14 0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 63.65 3cma n PRO 12 Cb 0.46 -1.74 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3cma n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3cma h HIS 13 N 0.00 0.17 0.00 0.54 3.86 -1.94 -3.35 115.15 114.43 3cma h HIS 13 Ca 0.00 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3cma h HIS 13 Cb 0.05 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3cma h HIS 13 CO 0.00 1.58 -0.14 0.00 0.86 0.00 0.00 177.93 180.23 3cma n ASN 15 N -3.15 -4.26 -3.60 0.00 2.85 0.13 -4.99 115.26 102.25 3cma n ASN 15 Ca 0.03 0.06 -0.16 0.00 -0.11 0.00 0.00 54.58 54.40 3cma n ASN 15 Cb 0.57 -3.33 -0.07 0.00 1.24 0.00 0.00 39.78 38.20 3cma n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3cma s GLU 16 N -4.32 0.91 0.37 1.20 -1.05 -1.18 -4.96 118.70 109.67 3cma s GLU 16 Ca 0.00 0.24 -0.27 0.00 -0.15 0.00 0.00 54.97 54.79 3cma s GLU 16 Cb 0.00 0.43 -0.12 0.00 -0.44 0.00 0.00 34.13 34.00 3cma s GLU 16 CO 0.00 -0.26 1.29 0.72 0.95 0.00 0.00 175.26 177.96 3cma n HIS 17 N 1.27 2.25 -3.47 4.83 8.25 -1.26 -3.20 115.22 123.88 3cma n HIS 17 Ca -0.19 0.53 -0.12 0.00 -0.26 0.00 0.00 57.72 57.68 3cma n HIS 17 Cb 0.57 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.24 3cma n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3cma s GLN 18 N -1.98 1.06 0.26 -0.41 -0.21 -0.13 -4.90 119.66 113.35 3cma s GLN 18 Ca 0.57 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.41 3cma s GLN 18 Cb -0.55 0.49 -0.10 0.00 1.00 0.00 0.00 33.01 33.85 3cma s GLN 18 CO 0.61 -0.43 1.44 -2.00 -2.12 0.00 0.00 175.29 172.79 3cma s GLU 19 N -2.89 4.26 0.39 2.91 2.12 -1.26 -2.43 118.70 121.79 3cma s GLU 19 Ca -0.00 2.32 0.06 0.00 0.36 0.00 0.00 54.97 57.70 3cma s GLU 19 Cb -0.01 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.21 3cma s GLU 19 CO -0.06 -0.42 0.02 -1.01 -0.54 0.00 0.00 175.26 173.25 3cma s HIS 20 N -0.12 2.35 -0.07 5.30 3.76 0.96 0.19 115.29 127.66 3cma s HIS 20 Ca 0.59 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 3cma s HIS 20 Cb -0.42 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 31.65 3cma s HIS 20 CO 0.45 0.32 -0.09 -2.00 -0.85 0.00 0.00 174.74 172.57 3cma s GLU 21 N -3.76 1.36 0.04 1.40 2.12 0.12 -1.28 118.70 118.70 3cma s GLU 21 Ca 0.35 -0.27 -0.14 0.00 0.36 0.00 0.00 54.97 55.27 3cma s GLU 21 Cb 0.10 -1.24 -0.06 0.00 0.26 0.00 0.00 34.13 33.18 3cma s GLU 21 CO 0.17 -0.07 0.44 0.08 -0.54 0.00 0.00 175.26 175.34 3cma s VAL 22 N 0.97 4.99 -0.01 3.70 1.01 0.13 -1.36 120.40 129.82 3cma s VAL 22 Ca -0.09 0.82 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 3cma s VAL 22 Cb -0.15 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3cma s VAL 22 CO 0.00 0.49 0.23 -0.70 0.00 0.00 0.00 175.10 175.13 3cma s GLU 23 N -1.31 0.58 -0.15 2.72 2.12 -0.79 -4.89 118.70 116.97 3cma s GLU 23 Ca 0.27 -0.28 -0.28 0.00 0.36 0.00 0.00 54.97 55.04 3cma s GLU 23 Cb -0.16 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 3cma s GLU 23 CO 0.15 -0.15 0.96 0.15 -0.54 0.00 0.00 175.26 175.83 3cma s LYS 24 N -1.33 4.35 -0.17 4.30 1.02 -1.26 -0.48 119.74 126.16 3cma s LYS 24 Ca -0.14 1.26 -0.33 0.00 0.02 0.00 0.00 55.97 56.79 3cma s LYS 24 Cb -0.06 -3.57 -0.10 0.00 -0.52 0.00 0.00 37.83 33.58 3cma s LYS 24 CO 0.03 -0.39 2.05 0.28 -0.92 0.00 0.00 175.35 176.40 3cma n VAL 25 N 4.78 0.45 -3.12 3.17 0.31 -1.03 -4.92 118.33 117.98 3cma n VAL 25 Ca 0.08 -0.24 -0.39 0.00 -0.01 0.00 0.00 64.34 63.78 3cma n VAL 25 Cb 0.48 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.32 3cma n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3cma s ARG 26 N 5.19 4.39 0.32 5.55 0.52 -1.26 -5.01 118.95 128.65 3cma s ARG 26 Ca 0.98 0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 56.82 3cma s ARG 26 Cb -0.62 -3.29 -0.12 0.00 0.52 0.00 0.00 34.95 31.44 3cma s ARG 26 CO 0.46 0.49 1.52 0.43 0.02 0.00 0.00 175.30 178.22 3cma n SER 27 N 2.12 3.62 -4.82 0.23 7.64 -1.26 -4.98 113.62 116.16 3cma n SER 27 Ca -0.07 1.18 -0.37 0.00 1.01 0.00 0.00 58.87 60.62 3cma n SER 27 Cb 0.50 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 3cma n SER 27 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3cma s GLY 28 N 0.22 2.59 0.34 0.23 0.00 -1.26 -5.05 107.32 104.40 3cma s GLY 28 Ca 0.61 0.00 -0.27 0.00 0.00 0.00 0.00 44.72 45.06 3cma s GLY 28 CO 0.54 0.36 1.06 -1.60 0.00 0.00 0.00 173.10 173.47 3cma s ARG 29 N -1.58 4.40 0.67 2.90 3.52 -1.26 -5.04 118.95 122.56 3cma s ARG 29 Ca 0.35 1.63 -0.11 0.00 -0.13 0.00 0.00 55.73 57.46 3cma s ARG 29 Cb -0.17 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.37 3cma s ARG 29 CO 0.20 0.04 1.07 -0.65 -0.81 0.00 0.00 175.30 175.14 3cma s GLN 30 N -2.00 3.11 -0.01 5.12 -0.21 -1.26 -5.00 119.66 119.41 3cma s GLN 30 Ca 0.51 0.54 0.13 0.00 0.02 0.00 0.00 55.36 56.57 3cma s GLN 30 Cb -0.26 -2.05 -0.17 0.00 1.00 0.00 0.00 33.01 31.53 3cma s GLN 30 CO 0.33 -0.87 0.42 0.25 -2.12 0.00 0.00 175.29 173.30 3cma n THR 31 N -2.91 0.00 -2.27 -0.19 -2.24 -1.26 -4.99 114.28 100.42 3cma n THR 31 Ca 0.07 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 3cma n THR 31 Cb 0.56 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 3cma n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cma n GLY 32 N 1.52 -0.18 0.17 3.38 0.00 -1.26 -4.85 105.19 103.98 3cma n GLY 32 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.96 3cma n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cma n MET 33 N -2.77 0.99 -2.08 1.61 2.81 -1.26 -4.82 117.12 111.61 3cma n MET 33 Ca -0.22 -1.51 -0.29 0.00 -1.81 0.00 0.00 57.70 53.87 3cma n MET 33 Cb 0.66 -0.92 0.05 0.00 -0.71 0.00 0.00 33.22 32.30 3cma n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3cma s LYS 34 N -1.12 2.77 0.20 0.03 3.01 -1.26 -4.91 119.74 118.47 3cma s LYS 34 Ca 0.10 0.24 -0.10 0.00 -1.01 0.00 0.00 55.97 55.20 3cma s LYS 34 Cb 0.09 -2.11 0.25 0.00 -1.01 0.00 0.00 37.83 35.05 3cma s LYS 34 CO 0.01 -0.98 1.76 2.35 0.51 0.00 0.00 175.35 179.00 3cma h TRP 35 N -0.52 0.46 -0.60 3.18 7.01 -2.00 -1.91 115.95 121.57 3cma h TRP 35 Ca -0.45 0.03 0.09 0.00 2.11 0.00 0.00 58.89 60.66 3cma h TRP 35 Cb 1.26 -0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 28.14 3cma h TRP 35 CO 0.47 0.16 0.23 0.97 -2.79 0.00 0.00 178.44 177.48 3cma h ILE 36 N 0.47 0.79 -0.82 2.65 6.09 -1.99 0.12 117.51 124.83 3cma h ILE 36 Ca 0.29 -0.15 0.07 0.00 -1.37 0.00 0.00 64.86 63.71 3cma h ILE 36 Cb 0.31 0.33 -0.06 0.00 0.47 0.00 0.00 36.82 37.87 3cma h ILE 36 CO -0.26 0.08 0.50 0.44 -3.07 0.00 0.00 178.15 175.84 3cma h ASP 37 N 0.42 0.76 0.02 2.19 3.32 -1.70 -0.55 116.42 120.89 3cma h ASP 37 Ca 0.30 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 3cma h ASP 37 Cb 0.35 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3cma h ASP 37 CO -0.29 0.48 -0.44 0.03 -1.72 0.00 0.00 179.24 177.30 3cma h ARG 38 N 0.89 0.51 -0.06 3.56 3.08 -1.02 -2.30 114.38 119.04 3cma h ARG 38 Ca 0.37 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3cma h ARG 38 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3cma h ARG 38 CO -0.19 0.85 -0.42 0.37 -1.07 0.00 0.00 179.97 179.52 3cma h GLN 39 N 0.41 0.14 0.20 0.04 4.15 0.16 0.34 115.11 120.55 3cma h GLN 39 Ca 0.03 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3cma h GLN 39 Cb 0.94 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 3cma h GLN 39 CO 0.08 0.53 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.33 3cma h ARG 40 N 0.12 -0.26 -0.89 1.69 2.43 -0.99 0.23 114.38 116.70 3cma h ARG 40 Ca 0.01 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 3cma h ARG 40 Cb 0.79 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.31 3cma h ARG 40 CO 0.06 0.12 0.52 0.93 -1.51 0.00 0.00 179.97 180.08 3cma h GLU 41 N -0.71 0.78 0.47 0.20 5.08 -1.22 -2.10 114.58 117.08 3cma h GLU 41 Ca -0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3cma h GLU 41 Cb 0.49 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3cma h GLU 41 CO 0.04 0.52 -0.23 0.00 -1.00 0.00 0.00 179.01 178.34 3cma h ARG 42 N 0.80 -0.61 -0.22 2.33 3.08 -0.15 -3.33 114.38 116.28 3cma h ARG 42 Ca 0.45 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3cma h ARG 42 Cb 0.50 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3cma h ARG 42 CO -0.29 -0.30 0.00 0.09 -1.07 0.00 0.00 179.97 178.40 3cma n ASN 43 N -5.23 1.19 -4.38 7.04 3.02 0.79 -4.76 115.26 112.92 3cma n ASN 43 Ca -0.10 -1.98 -0.43 0.00 -0.03 0.00 0.00 54.58 52.04 3cma n ASN 43 Cb 0.30 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.24 3cma n ASN 43 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3cma s SER 44 N -1.02 6.00 0.00 6.41 0.01 -0.80 -4.89 113.70 119.40 3cma s SER 44 Ca 0.16 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.21 3cma s SER 44 Cb 0.08 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.19 3cma s SER 44 CO 0.11 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.82 3cma n GLY 45 N 5.12 1.41 3.58 3.44 0.00 -1.26 -4.98 105.19 112.50 3cma n GLY 45 Ca -0.12 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3cma n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cma s ILE 46 N 1.72 3.95 0.00 -0.61 1.01 -1.26 -4.99 121.20 121.01 3cma s ILE 46 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3cma s ILE 46 Cb 0.00 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3cma s ILE 46 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3cma n GLY 47 N 2.63 0.02 3.80 6.18 0.00 -1.26 -4.87 105.19 111.70 3cma n GLY 47 Ca -0.18 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3cma n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cma s ASN 48 N -4.00 5.95 -0.22 1.61 2.47 -1.26 -4.98 114.94 114.50 3cma s ASN 48 Ca 0.00 1.84 0.11 0.00 0.42 0.00 0.00 52.86 55.23 3cma s ASN 48 Cb 0.00 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.70 3cma s ASN 48 CO 0.00 -1.05 1.20 0.47 -3.72 0.00 0.00 177.10 174.00 3cma n ASP 49 N -1.76 2.61 0.00 -4.21 8.00 -1.26 -4.80 116.55 115.13 3cma n ASP 49 Ca 0.09 -3.66 0.00 0.00 0.71 0.00 0.00 54.79 51.93 3cma n ASP 49 Cb 0.53 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3cma n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cma n GLY 50 N -0.87 2.46 0.55 0.44 0.00 -1.26 -1.53 105.19 104.99 3cma n GLY 50 Ca 0.25 -0.21 0.42 0.00 0.00 0.00 0.00 46.02 46.48 3cma n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cma h LYS 51 N 0.00 0.04 0.00 1.61 2.10 -1.99 0.77 116.57 119.10 3cma h LYS 51 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3cma h LYS 51 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3cma h LYS 51 CO 0.00 0.03 0.00 1.19 -2.00 0.00 0.00 179.45 178.67 3cma n PHE 52 N -4.42 0.00 0.47 0.07 3.01 -0.58 -2.85 117.46 113.17 3cma n PHE 52 Ca 0.39 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.93 3cma n PHE 52 Cb 1.62 -0.02 0.09 0.00 -0.01 0.00 0.00 39.48 41.16 3cma n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3cma n SER 53 N -1.02 2.47 -4.89 4.37 7.64 0.27 -4.89 113.62 117.57 3cma n SER 53 Ca 0.22 -1.71 -0.30 0.00 1.01 0.00 0.00 58.87 58.09 3cma n SER 53 Cb 0.11 -0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.31 3cma n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3cma s LYS 54 N -1.23 2.52 -0.01 1.43 1.02 -1.13 -5.00 119.74 117.33 3cma s LYS 54 Ca 0.21 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.51 3cma s LYS 54 Cb 0.14 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.46 3cma s LYS 54 CO 0.20 -1.24 -0.01 0.14 -0.92 0.00 0.00 175.35 173.52 3cma s VAL 55 N -3.43 0.16 0.00 3.17 -7.23 -1.26 -5.10 120.40 106.70 3cma s VAL 55 Ca 0.60 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 3cma s VAL 55 Cb -0.11 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.63 3cma s VAL 55 CO 0.50 0.09 0.00 -2.65 -0.31 0.00 0.00 175.10 172.74 3cma n PRO 56 N 3.58 0.00 -0.15 4.82 -0.02 -1.26 -4.98 135.00 136.99 3cma n PRO 56 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3cma n PRO 56 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3cma n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cma n GLY 57 N 0.00 -0.64 0.00 -1.23 0.00 -1.26 -5.10 105.19 96.97 3cma n GLY 57 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3cma n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 58 N 5.00 -0.77 3.10 -0.02 0.00 -1.26 -5.11 105.19 106.13 3cma n GLY 58 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 3cma n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 59 N -1.00 1.00 0.40 1.61 1.01 -1.26 -5.14 116.67 113.29 3cma s ASP 59 Ca 0.00 -0.69 -0.23 0.00 0.71 0.00 0.00 52.55 52.34 3cma s ASP 59 Cb 0.00 0.05 -0.11 0.00 1.01 0.00 0.00 42.92 43.87 3cma s ASP 59 CO 0.00 -0.27 0.95 -0.75 0.21 0.00 0.00 175.17 175.31 3cma s LYS 60 N -2.28 4.33 0.36 8.23 2.47 -1.26 -4.94 119.74 126.65 3cma s LYS 60 Ca -0.03 1.19 0.12 0.00 -1.56 0.00 0.00 55.97 55.69 3cma s LYS 60 Cb -0.05 -2.36 0.93 0.00 -1.46 0.00 0.00 37.83 34.88 3cma s LYS 60 CO -0.01 0.06 1.80 -1.00 0.16 0.00 0.00 175.35 176.36 3cma h PRO 61 N 2.28 0.55 -4.30 4.03 0.13 -2.05 -3.41 132.00 129.23 3cma h PRO 61 Ca -0.48 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.34 3cma h PRO 61 Cb 1.18 -0.12 -0.25 0.00 0.13 0.00 0.00 31.00 31.94 3cma h PRO 61 CO 0.62 0.37 -0.74 0.99 -0.23 0.00 0.00 178.00 179.01 3cma s THR 62 N -5.64 0.38 0.21 1.56 2.01 -1.26 -5.06 115.64 107.84 3cma s THR 62 Ca -0.10 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.33 3cma s THR 62 Cb 0.24 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 3cma s THR 62 CO 0.79 -0.17 0.23 -0.54 -0.69 0.00 0.00 174.62 174.24 3cma s LYS 63 N -0.86 3.12 0.61 4.92 -0.14 -1.26 -4.91 119.74 121.21 3cma s LYS 63 Ca -0.05 -0.87 -0.09 0.00 -1.36 0.00 0.00 55.97 53.59 3cma s LYS 63 Cb -0.06 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 3cma s LYS 63 CO -0.00 0.45 0.98 0.15 -0.76 0.00 0.00 175.35 176.16 3cma s LYS 64 N -3.60 3.35 0.29 1.68 1.02 -1.26 -2.07 119.74 119.15 3cma s LYS 64 Ca 0.33 0.49 -0.29 0.00 0.02 0.00 0.00 55.97 56.51 3cma s LYS 64 Cb -0.09 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 3cma s LYS 64 CO 0.26 -0.61 1.44 0.99 -0.92 0.00 0.00 175.35 176.52 3cma s THR 65 N -3.10 2.49 -0.39 2.17 2.01 -0.40 -4.81 115.64 113.61 3cma s THR 65 Ca 0.54 0.44 0.03 0.00 0.31 0.00 0.00 61.69 63.01 3cma s THR 65 Cb -0.11 -3.28 0.11 0.00 0.01 0.00 0.00 72.50 69.23 3cma s THR 65 CO 0.51 0.08 0.13 -0.62 -0.69 0.00 0.00 174.62 174.03 3cma s ASP 66 N 0.15 4.38 0.25 3.53 -1.08 -1.26 -4.18 116.67 118.46 3cma s ASP 66 Ca 0.57 -2.31 0.04 0.00 -0.52 0.00 0.00 52.55 50.32 3cma s ASP 66 Cb -0.43 -1.41 -0.05 0.00 -1.46 0.00 0.00 42.92 39.57 3cma s ASP 66 CO 0.49 -0.34 0.01 -0.76 0.52 0.00 0.00 175.17 175.08 3cma s LEU 67 N 0.70 2.18 -0.10 -1.34 1.43 -1.26 -2.45 118.68 117.84 3cma s LEU 67 Ca 0.13 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 3cma s LEU 67 Cb -0.21 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.71 3cma s LEU 67 CO -0.08 -0.52 -0.19 -0.54 0.23 0.00 0.00 176.35 175.25 3cma s LYS 68 N -3.86 2.51 -0.42 1.70 1.02 0.37 -4.61 119.74 116.45 3cma s LYS 68 Ca 0.30 -0.68 -0.10 0.00 0.02 0.00 0.00 55.97 55.52 3cma s LYS 68 Cb 0.06 -2.01 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 3cma s LYS 68 CO 0.10 0.04 0.27 0.71 -0.92 0.00 0.00 175.35 175.55 3cma s TYR 69 N 0.68 3.33 -0.28 3.18 1.51 -0.80 -1.89 117.35 123.09 3cma s TYR 69 Ca -0.12 -1.48 -0.12 0.00 -1.01 0.00 0.00 57.07 54.34 3cma s TYR 69 Cb -0.16 -2.96 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 3cma s TYR 69 CO 0.03 -0.84 0.24 1.03 -1.11 0.00 0.00 175.55 174.90 3cma s ARG 70 N 1.44 3.96 0.20 -0.62 0.52 -0.47 -4.19 118.95 119.80 3cma s ARG 70 Ca 0.03 -0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 54.70 3cma s ARG 70 Cb -0.23 -3.66 -0.11 0.00 0.52 0.00 0.00 34.95 31.47 3cma s ARG 70 CO 0.02 -0.21 1.63 0.00 0.02 0.00 0.00 175.30 176.77 3cma n GLY 72 N 3.58 -0.54 0.00 0.00 0.00 0.50 -2.46 105.19 106.26 3cma n GLY 72 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3cma n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cma n GLU 73 N -1.02 0.00 0.25 1.61 2.13 -1.26 -4.75 120.64 117.59 3cma n GLU 73 Ca 0.12 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.09 3cma n GLU 73 Cb 0.06 0.00 0.81 0.00 0.27 0.00 0.00 31.44 32.59 3cma n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cma n GLY 75 N -1.21 0.96 3.93 0.00 0.00 -1.03 -5.04 105.19 102.80 3cma n GLY 75 Ca -0.02 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 3cma n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma s LYS 76 N -2.59 3.53 -0.07 1.61 1.02 -1.26 -4.74 119.74 117.24 3cma s LYS 76 Ca 0.00 -0.30 0.12 0.00 0.02 0.00 0.00 55.97 55.81 3cma s LYS 76 Cb 0.00 -2.76 0.48 0.00 -0.52 0.00 0.00 37.83 35.03 3cma s LYS 76 CO 0.00 0.30 1.33 0.00 -0.92 0.00 0.00 175.35 176.06 3cma n ALA 77 N -1.08 2.89 0.00 5.17 0.00 -1.26 -0.14 120.51 126.09 3cma n ALA 77 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.36 3cma n ALA 77 Cb 0.55 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3cma n ALA 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3cma n HIS 78 N 0.67 0.00 -4.28 0.00 -0.00 -1.26 -4.90 115.22 105.45 3cma n HIS 78 Ca 0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.66 3cma n HIS 78 Cb 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.54 3cma n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3cma s LEU 79 N -1.43 3.22 0.24 0.27 1.43 -1.26 -1.90 118.68 119.24 3cma s LEU 79 Ca 0.00 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3cma s LEU 79 Cb 0.00 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3cma s LEU 79 CO 0.00 0.01 0.13 -0.13 0.23 0.00 0.00 176.35 176.58 3cma s ARG 80 N -3.63 1.34 0.87 1.70 0.52 -1.26 -5.03 118.95 113.46 3cma s ARG 80 Ca 0.31 -1.72 -0.11 0.00 -0.52 0.00 0.00 55.73 53.69 3cma s ARG 80 Cb -0.07 0.05 0.12 0.00 0.52 0.00 0.00 34.95 35.57 3cma s ARG 80 CO 0.20 -0.37 1.14 -1.21 0.02 0.00 0.00 175.30 175.08 3cma s GLU 81 N -4.05 1.39 0.22 3.54 2.02 -1.26 -4.89 118.70 115.66 3cma s GLU 81 Ca 0.38 1.50 0.07 0.00 0.02 0.00 0.00 54.97 56.94 3cma s GLU 81 Cb 0.07 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 3cma s GLU 81 CO 0.14 -2.35 0.07 0.20 0.02 0.00 0.00 175.26 173.35 3cma s GLY 82 N -2.75 1.62 -0.02 -1.39 0.00 -1.26 -4.96 107.32 98.57 3cma s GLY 82 Ca 0.66 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 44.02 3cma s GLY 82 CO 0.56 -1.46 -0.21 0.66 0.00 0.00 0.00 173.10 172.65 3cma s TRP 83 N -2.00 1.90 -0.10 1.90 -2.14 -1.26 -4.65 118.94 112.59 3cma s TRP 83 Ca 0.30 -0.36 -0.35 0.00 2.66 0.00 0.00 56.10 58.36 3cma s TRP 83 Cb -0.08 -1.22 -0.12 0.00 -3.10 0.00 0.00 33.47 28.95 3cma s TRP 83 CO 0.21 -0.03 1.84 0.54 -2.66 0.00 0.00 176.95 176.86 3cma n ARG 84 N 2.55 2.05 -3.67 3.25 1.74 -1.26 -1.28 116.66 120.04 3cma n ARG 84 Ca -0.15 0.75 -0.20 0.00 -0.77 0.00 0.00 57.85 57.48 3cma n ARG 84 Cb 0.53 -2.57 -0.18 0.00 -1.02 0.00 0.00 32.46 29.22 3cma n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cma s ALA 85 N 3.80 0.21 0.27 7.54 0.00 -0.88 -4.92 121.76 127.78 3cma s ALA 85 Ca 0.93 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 3cma s ALA 85 Cb -0.74 -0.65 0.44 0.00 0.00 0.00 0.00 23.12 22.17 3cma s ALA 85 CO 0.52 -0.52 1.88 0.78 0.00 0.00 0.00 175.76 178.42 3cma h GLY 86 N 8.43 1.54 -4.46 0.00 0.00 -1.93 -3.40 103.07 103.26 3cma h GLY 86 Ca -0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3cma h GLY 86 CO 0.16 0.30 -0.11 -1.60 0.00 0.00 0.00 176.54 175.28 3cma s ARG 87 N -6.01 0.77 -0.16 4.80 3.52 -1.26 -4.94 118.95 115.67 3cma s ARG 87 Ca -0.12 0.08 -0.03 0.00 -0.13 0.00 0.00 55.73 55.52 3cma s ARG 87 Cb 0.21 0.35 0.05 0.00 -1.56 0.00 0.00 34.95 34.00 3cma s ARG 87 CO 0.81 -0.21 0.05 -1.17 -0.81 0.00 0.00 175.30 173.97 3cma s LEU 88 N -1.04 0.76 -0.08 -0.88 2.96 -1.26 0.11 118.68 119.25 3cma s LEU 88 Ca -0.11 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3cma s LEU 88 Cb -0.03 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 3cma s LEU 88 CO 0.05 -0.30 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.98 3cma s GLU 89 N 1.98 2.84 0.04 1.98 2.02 -0.22 -4.98 118.70 122.35 3cma s GLU 89 Ca 0.01 -0.81 -0.21 0.00 0.02 0.00 0.00 54.97 53.98 3cma s GLU 89 Cb -0.16 -2.34 -0.06 0.00 0.10 0.00 0.00 34.13 31.68 3cma s GLU 89 CO -0.07 0.34 0.63 -0.06 0.02 0.00 0.00 175.26 176.12 3cma s PHE 90 N -0.04 3.74 -0.58 1.61 0.40 -1.25 -1.11 117.98 120.74 3cma s PHE 90 Ca -0.06 1.30 -0.23 0.00 -0.60 0.00 0.00 56.93 57.34 3cma s PHE 90 Cb -0.15 -2.63 0.05 0.00 0.51 0.00 0.00 43.02 40.81 3cma s PHE 90 CO 0.05 0.41 0.90 -0.65 0.70 0.00 0.00 175.22 176.63 3cma s GLN 91 N -0.46 3.22 0.00 0.44 -0.21 0.26 -4.86 119.66 118.06 3cma s GLN 91 Ca 0.32 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3cma s GLN 91 Cb -0.19 -4.12 0.00 0.00 1.00 0.00 0.00 33.01 29.70 3cma s GLN 91 CO 0.19 -1.57 0.00 0.39 -2.12 0.00 0.00 175.29 172.19