#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7s s LYS 2 N 0.00 4.65 -0.05 1.43 2.20 -1.26 0.43 119.74 127.14 1r7s s LYS 2 Ca 0.00 1.37 0.03 0.00 -0.36 0.00 0.00 55.97 57.01 1r7s s LYS 2 Cb 0.00 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1r7s s LYS 2 CO 0.00 0.22 -0.13 0.08 -0.36 0.00 0.00 175.35 175.17 1r7s s VAL 3 N 0.01 1.13 -0.24 4.02 1.01 -0.65 0.08 120.40 125.76 1r7s s VAL 3 Ca 0.45 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1r7s s VAL 3 Cb -0.23 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1r7s s VAL 3 CO 0.28 0.35 -0.00 -0.69 0.00 0.00 0.00 175.10 175.04 1r7s s VAL 4 N 0.46 3.56 -0.28 2.92 1.01 0.31 -1.18 120.40 127.20 1r7s s VAL 4 Ca -0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1r7s s VAL 4 Cb -0.14 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1r7s s VAL 4 CO 0.03 0.31 0.14 -0.31 0.00 0.00 0.00 175.10 175.27 1r7s s TYR 5 N 1.48 3.16 -0.28 5.22 1.51 0.14 -1.02 117.35 127.56 1r7s s TYR 5 Ca 0.04 -0.27 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1r7s s TYR 5 Cb -0.15 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.35 1r7s s TYR 5 CO -0.01 -0.32 0.11 0.08 -1.11 0.00 0.00 175.55 174.30 1r7s s VAL 6 N 1.67 4.50 0.90 0.71 1.01 -0.14 -0.77 120.40 128.27 1r7s s VAL 6 Ca 0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1r7s s VAL 6 Cb -0.16 -3.19 0.13 0.00 0.00 0.00 0.00 36.38 33.17 1r7s s VAL 6 CO 0.07 0.22 1.13 -0.94 0.00 0.00 0.00 175.10 175.58 1r7s s SER 7 N 1.62 3.59 0.42 3.32 1.04 -0.39 -0.50 113.70 122.80 1r7s s SER 7 Ca 0.06 1.00 0.09 0.00 0.48 0.00 0.00 55.95 57.57 1r7s s SER 7 Cb -0.16 -1.59 0.90 0.00 0.10 0.00 0.00 66.02 65.27 1r7s s SER 7 CO 0.05 -2.50 2.04 -0.74 0.98 0.00 0.00 173.24 173.07 1r7s h HIS 8 N -1.46 0.40 0.00 5.02 2.76 -1.81 0.27 115.15 120.33 1r7s h HIS 8 Ca -0.50 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1r7s h HIS 8 Cb 1.33 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1r7s h HIS 8 CO 0.31 0.29 0.00 -0.40 -1.30 0.00 0.00 177.93 176.83 1r7s n ASP 9 N -4.45 0.00 0.00 3.26 3.85 -1.26 -4.90 116.55 113.05 1r7s n ASP 9 Ca 0.01 -1.37 0.00 0.00 -0.71 0.00 0.00 54.79 52.72 1r7s n ASP 9 Cb 0.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1r7s n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1r7s n GLY 10 N 0.80 0.64 3.73 6.12 0.00 0.08 -5.05 105.19 111.52 1r7s n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1r7s n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r7s s THR 11 N -2.27 3.19 -0.15 2.61 2.01 -1.26 -4.76 115.64 115.01 1r7s s THR 11 Ca 0.00 0.95 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 1r7s s THR 11 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1r7s s THR 11 CO 0.00 0.13 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.91 1r7s s ARG 12 N 0.15 3.64 -0.21 4.92 0.52 -1.26 -1.27 118.95 125.44 1r7s s ARG 12 Ca 0.59 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 1r7s s ARG 12 Cb -0.37 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.20 1r7s s ARG 12 CO 0.37 0.30 -0.14 1.03 0.02 0.00 0.00 175.30 176.88 1r7s s ARG 13 N 0.21 2.40 -0.26 3.54 0.52 0.05 -4.96 118.95 120.46 1r7s s ARG 13 Ca -0.01 -0.97 -0.10 0.00 -0.52 0.00 0.00 55.73 54.12 1r7s s ARG 13 Cb -0.14 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 1r7s s ARG 13 CO 0.02 -0.39 0.16 -2.00 0.02 0.00 0.00 175.30 173.11 1r7s s GLU 14 N 1.28 3.95 0.19 3.54 2.12 -1.26 -0.69 118.70 127.83 1r7s s GLU 14 Ca -0.01 -0.33 0.08 0.00 0.36 0.00 0.00 54.97 55.08 1r7s s GLU 14 Cb -0.16 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1r7s s GLU 14 CO -0.09 -0.09 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.98 1r7s s LEU 15 N 1.46 3.12 -0.24 2.70 1.43 -0.33 -4.94 118.68 121.88 1r7s s LEU 15 Ca 0.07 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1r7s s LEU 15 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1r7s s LEU 15 CO 0.08 0.09 0.13 -0.62 0.23 0.00 0.00 176.35 176.25 1r7s s ASP 16 N -2.97 5.78 -0.11 2.29 2.15 -1.26 -1.64 116.67 120.91 1r7s s ASP 16 Ca 0.27 0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.28 1r7s s ASP 16 Cb -0.09 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 1r7s s ASP 16 CO 0.17 0.04 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.29 1r7s s VAL 17 N 1.21 2.16 0.67 1.11 1.01 0.17 -4.75 120.40 121.98 1r7s s VAL 17 Ca 0.06 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1r7s s VAL 17 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1r7s s VAL 17 CO 0.05 0.55 1.12 0.00 0.00 0.00 0.00 175.10 176.82 1r7s s ALA 18 N 0.44 2.42 0.32 5.51 0.00 -1.26 -1.63 121.76 127.56 1r7s s ALA 18 Ca -0.16 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1r7s s ALA 18 Cb -0.17 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 1r7s s ALA 18 CO 0.07 -1.36 1.36 -0.25 0.00 0.00 0.00 175.76 175.57 1r7s n ASP 19 N -2.51 2.97 0.00 0.00 8.00 -1.26 -2.47 116.55 121.28 1r7s n ASP 19 Ca 0.11 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.80 1r7s n ASP 19 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1r7s n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r7s n GLY 20 N 1.08 0.90 3.83 0.44 0.00 -0.38 -4.98 105.19 106.09 1r7s n GLY 20 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1r7s n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r7s s VAL 21 N -3.63 5.20 0.57 1.61 1.01 -1.03 -4.78 120.40 119.36 1r7s s VAL 21 Ca 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1r7s s VAL 21 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1r7s s VAL 21 CO 0.00 0.55 1.03 -0.94 0.00 0.00 0.00 175.10 175.74 1r7s s SER 22 N -0.78 6.13 0.49 3.32 1.04 -1.26 -0.91 113.70 121.71 1r7s s SER 22 Ca 0.20 1.68 0.21 0.00 0.48 0.00 0.00 55.95 58.53 1r7s s SER 22 Cb -0.15 -2.52 1.23 0.00 0.10 0.00 0.00 66.02 64.69 1r7s s SER 22 CO 0.09 -0.93 2.04 -0.07 0.98 0.00 0.00 173.24 175.35 1r7s h LEU 23 N 0.53 0.00 -0.12 2.42 3.38 -1.06 -1.90 115.31 118.55 1r7s h LEU 23 Ca -0.46 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 1r7s h LEU 23 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1r7s h LEU 23 CO 0.59 0.15 -0.11 -0.03 0.09 0.00 0.00 178.44 179.14 1r7s h MET 24 N 0.00 0.29 -0.79 1.13 4.05 -1.77 -2.01 114.93 115.83 1r7s h MET 24 Ca -0.00 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1r7s h MET 24 Cb 0.32 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.07 1r7s h MET 24 CO 0.02 0.68 0.48 1.96 0.23 0.00 0.00 176.91 180.28 1r7s h GLN 25 N -0.10 0.87 -0.55 0.39 4.20 -1.76 -0.93 115.11 117.23 1r7s h GLN 25 Ca 0.02 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1r7s h GLN 25 Cb 0.62 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1r7s h GLN 25 CO 0.03 0.57 -0.09 0.00 -0.67 0.00 0.00 178.83 178.67 1r7s h ALA 26 N 1.37 0.80 0.37 3.87 0.00 -1.36 -2.28 119.26 122.05 1r7s h ALA 26 Ca 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1r7s h ALA 26 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r7s h ALA 26 CO -0.16 0.67 -0.18 0.00 0.00 0.00 0.00 179.25 179.58 1r7s h ALA 27 N 0.97 -0.50 -0.07 0.00 0.00 -0.75 -2.66 119.26 116.24 1r7s h ALA 27 Ca 0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1r7s h ALA 27 Cb 0.65 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1r7s h ALA 27 CO 0.04 -0.73 -0.36 -0.39 0.00 0.00 0.00 179.25 177.82 1r7s h VAL 28 N -0.61 1.28 0.00 0.00 -1.51 -1.21 -0.83 116.25 113.35 1r7s h VAL 28 Ca -0.05 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 1r7s h VAL 28 Cb 0.45 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1r7s h VAL 28 CO 0.08 0.39 0.00 -1.54 -1.23 0.00 0.00 177.57 175.28 1r7s n SER 29 N -4.08 0.20 -0.71 4.19 3.41 -0.86 -3.60 113.62 112.16 1r7s n SER 29 Ca -0.01 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.15 1r7s n SER 29 Cb 0.42 -0.57 0.20 0.00 -0.26 0.00 0.00 64.21 64.00 1r7s n SER 29 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r7s n ASN 30 N -1.69 2.31 -0.98 4.04 3.02 -0.76 -4.99 115.26 116.21 1r7s n ASN 30 Ca 0.07 -3.62 -0.10 0.00 -0.03 0.00 0.00 54.58 50.89 1r7s n ASN 30 Cb 0.36 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1r7s n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r7s n GLY 31 N -1.12 0.55 3.18 7.41 0.00 -1.11 -4.91 105.19 109.20 1r7s n GLY 31 Ca 0.23 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1r7s n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r7s n ILE 32 N -3.36 4.36 0.29 -0.61 2.08 -0.39 -4.80 119.36 116.93 1r7s n ILE 32 Ca -0.11 -4.68 0.19 0.00 0.56 0.00 0.00 62.75 58.72 1r7s n ILE 32 Cb 0.47 -2.41 1.03 0.00 -0.75 0.00 0.00 39.64 37.98 1r7s n ILE 32 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1r7s h TYR 33 N 6.43 0.00 0.00 1.39 -0.00 -1.91 -2.20 116.97 120.69 1r7s h TYR 33 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.07 1r7s h TYR 33 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.49 1r7s h TYR 33 CO 1.15 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.91 1r7s n ASP 34 N -2.85 0.00 -4.18 0.10 5.75 -1.26 -4.38 116.55 109.73 1r7s n ASP 34 Ca -0.03 -1.12 -0.34 0.00 -0.01 0.00 0.00 54.79 53.30 1r7s n ASP 34 Cb 0.09 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 1r7s n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1r7s s ILE 35 N -2.00 2.53 -0.20 2.12 1.01 -0.83 -4.77 121.20 119.06 1r7s s ILE 35 Ca 0.33 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 1r7s s ILE 35 Cb 0.15 -2.14 -0.20 0.00 0.01 0.00 0.00 42.46 40.29 1r7s s ILE 35 CO 0.25 0.45 0.19 0.52 0.00 0.00 0.00 174.94 176.35 1r7s n VAL 36 N 4.67 1.57 -3.33 2.92 0.31 -0.44 -4.71 118.33 119.32 1r7s n VAL 36 Ca -0.19 -0.15 -0.18 0.00 -0.01 0.00 0.00 64.34 63.81 1r7s n VAL 36 Cb 0.50 -1.98 0.06 0.00 -0.91 0.00 0.00 33.84 31.50 1r7s n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r7s n GLY 37 N 1.51 -0.18 0.24 2.92 0.00 -0.94 -4.93 105.19 103.81 1r7s n GLY 37 Ca -0.34 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1r7s n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1r7s h ASP 38 N -2.04 0.39 0.63 1.61 3.58 -1.95 -1.01 116.42 117.63 1r7s h ASP 38 Ca -0.43 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1r7s h ASP 38 Cb 1.28 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1r7s h ASP 38 CO 0.42 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 177.03 1r7s n GLY 40 N 0.81 0.72 0.31 0.00 0.00 -0.38 -4.36 105.19 102.29 1r7s n GLY 40 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1r7s n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7s n GLY 41 N -2.55 0.91 1.24 -0.02 0.00 -1.26 -4.99 105.19 98.52 1r7s n GLY 41 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1r7s n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r7s n SER 42 N 0.27 4.31 -3.62 1.61 3.41 -1.26 -4.86 113.62 113.47 1r7s n SER 42 Ca 0.00 -3.07 -0.20 0.00 -0.26 0.00 0.00 58.87 55.33 1r7s n SER 42 Cb 0.00 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.39 1r7s n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r7s n ALA 43 N -0.27 -2.06 -0.18 7.33 0.00 -1.26 -4.92 120.51 119.16 1r7s n ALA 43 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1r7s n ALA 43 Cb 1.02 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1r7s n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1r7s n SER 44 N -3.07 1.29 0.00 0.00 7.64 -1.26 -4.72 113.62 113.50 1r7s n SER 44 Ca -0.28 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1r7s n SER 44 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1r7s n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r7s n ALA 46 N -0.11 -0.20 -0.87 0.00 0.00 -1.26 -4.91 120.51 113.17 1r7s n ALA 46 Ca 0.00 0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1r7s n ALA 46 Cb 0.00 -1.50 0.40 0.00 0.00 0.00 0.00 19.45 18.34 1r7s n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1r7s n THR 47 N -2.57 2.62 -1.57 0.00 -2.24 -1.26 -3.89 114.28 105.37 1r7s n THR 47 Ca -0.13 -1.39 0.07 0.00 -2.27 0.00 0.00 64.05 60.32 1r7s n THR 47 Cb 0.45 -0.21 0.18 0.00 -2.10 0.00 0.00 70.33 68.64 1r7s n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r7s s HIS 49 N -2.85 2.89 0.16 0.00 5.04 -1.25 -1.38 115.29 117.89 1r7s s HIS 49 Ca 0.36 0.41 -0.02 0.00 -1.54 0.00 0.00 55.06 54.26 1r7s s HIS 49 Cb 0.34 -4.13 -0.04 0.00 0.04 0.00 0.00 32.58 28.80 1r7s s HIS 49 CO -0.06 -4.20 0.11 0.14 -2.34 0.00 0.00 174.74 168.39 1r7s s VAL 50 N 1.02 0.06 -0.26 0.89 -7.23 -0.24 -4.29 120.40 110.35 1r7s s VAL 50 Ca 0.73 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1r7s s VAL 50 Cb -0.49 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1r7s s VAL 50 CO 0.34 -0.29 0.03 -0.31 -0.31 0.00 0.00 175.10 174.56 1r7s s TYR 51 N -4.07 3.08 -0.03 2.82 2.02 0.11 -1.06 117.35 120.21 1r7s s TYR 51 Ca 0.28 -1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 55.68 1r7s s TYR 51 Cb 0.07 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1r7s s TYR 51 CO 0.05 -0.57 0.98 0.08 -1.57 0.00 0.00 175.55 174.52 1r7s s VAL 52 N 1.48 4.85 0.31 0.71 1.01 0.13 -0.61 120.40 128.29 1r7s s VAL 52 Ca 0.03 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.75 1r7s s VAL 52 Cb -0.16 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.79 1r7s s VAL 52 CO 0.00 0.12 1.46 -3.20 0.00 0.00 0.00 175.10 173.49 1r7s n ASN 53 N 4.20 3.36 -0.17 3.32 2.85 -0.63 -4.62 115.26 123.57 1r7s n ASN 53 Ca 0.06 1.18 0.29 0.00 -0.11 0.00 0.00 54.58 56.01 1r7s n ASN 53 Cb 0.50 -1.54 0.71 0.00 1.24 0.00 0.00 39.78 40.69 1r7s n ASN 53 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1r7s h GLU 54 N 3.78 0.00 0.00 1.20 4.11 -1.93 0.19 114.58 121.93 1r7s h GLU 54 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1r7s h GLU 54 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1r7s h GLU 54 CO 0.72 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.80 1r7s n ALA 55 N -2.57 1.94 -0.11 1.06 0.00 -1.26 -3.53 120.51 116.03 1r7s n ALA 55 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1r7s n ALA 55 Cb 1.07 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1r7s n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r7s n PHE 56 N -1.50 0.00 -0.34 0.00 3.72 0.60 -4.80 117.46 115.15 1r7s n PHE 56 Ca 0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 1r7s n PHE 56 Cb 0.24 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.99 1r7s n PHE 56 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1r7s h THR 57 N 0.11 0.91 -0.55 4.37 1.35 -1.45 -0.27 112.91 117.37 1r7s h THR 57 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1r7s h THR 57 Cb 0.05 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.38 1r7s h THR 57 CO 0.00 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 174.54 1r7s n ASP 58 N -4.67 3.55 -0.13 5.36 5.75 -1.26 -3.81 116.55 121.34 1r7s n ASP 58 Ca 0.17 -2.19 0.09 0.00 -0.01 0.00 0.00 54.79 52.85 1r7s n ASP 58 Cb 0.33 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 39.89 1r7s n ASP 58 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1r7s n LYS 59 N 1.03 1.16 -4.17 0.11 4.81 -0.12 -4.94 118.16 116.04 1r7s n LYS 59 Ca 0.20 -0.28 -0.27 0.00 -0.87 0.00 0.00 58.31 57.09 1r7s n LYS 59 Cb 0.63 -1.36 -0.07 0.00 0.02 0.00 0.00 35.03 34.24 1r7s n LYS 59 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1r7s s VAL 60 N -2.54 3.92 0.41 3.15 -7.23 -1.19 -4.97 120.40 111.95 1r7s s VAL 60 Ca 0.10 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 58.72 1r7s s VAL 60 Cb 0.14 -2.96 -0.11 0.00 0.56 0.00 0.00 36.38 34.01 1r7s s VAL 60 CO 0.66 -0.08 1.09 -2.65 -0.31 0.00 0.00 175.10 173.81 1r7s n PRO 61 N -0.07 1.52 -1.48 4.82 -0.02 -1.26 -4.94 135.00 133.57 1r7s n PRO 61 Ca -0.10 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 1r7s n PRO 61 Cb 0.55 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 31.99 1r7s n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r7s s ALA 62 N -1.23 2.15 0.13 3.55 0.00 -1.26 -4.95 121.76 120.15 1r7s s ALA 62 Ca 0.62 0.99 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 1r7s s ALA 62 Cb -0.55 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 1r7s s ALA 62 CO 0.57 -1.86 1.52 0.00 0.00 0.00 0.00 175.76 175.99 1r7s s ALA 63 N -1.80 3.70 0.90 0.00 0.00 -1.26 -5.02 121.76 118.27 1r7s s ALA 63 Ca 0.77 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.85 1r7s s ALA 63 Cb -0.32 -3.60 0.16 0.00 0.00 0.00 0.00 23.12 19.36 1r7s s ALA 63 CO 0.44 -0.77 1.25 0.54 0.00 0.00 0.00 175.76 177.22 1r7s s ASN 64 N 1.29 3.57 0.39 0.00 2.20 -1.26 -4.84 114.94 116.30 1r7s s ASN 64 Ca 0.69 0.30 0.06 0.00 -0.94 0.00 0.00 52.86 52.97 1r7s s ASN 64 Cb -0.41 -0.49 0.78 0.00 -2.00 0.00 0.00 41.25 39.13 1r7s s ASN 64 CO 0.31 -2.44 2.00 -0.33 -2.94 0.00 0.00 177.10 173.70 1r7s h GLU 65 N -1.37 0.52 -0.59 3.55 5.08 -2.00 -2.16 114.58 117.62 1r7s h GLU 65 Ca -0.44 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 1r7s h GLU 65 Cb 1.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1r7s h GLU 65 CO 0.44 0.42 0.06 -0.09 -1.00 0.00 0.00 179.01 178.84 1r7s h ARG 66 N 0.53 1.00 -0.57 2.33 2.43 -1.94 -1.72 114.38 116.45 1r7s h ARG 66 Ca 0.13 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1r7s h ARG 66 Cb 0.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1r7s h ARG 66 CO -0.02 0.96 0.06 1.49 -1.51 0.00 0.00 179.97 180.96 1r7s h GLU 67 N 0.90 0.96 -0.68 0.20 4.81 -1.71 -2.21 114.58 116.85 1r7s h GLU 67 Ca 0.17 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1r7s h GLU 67 Cb 0.48 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1r7s h GLU 67 CO 0.02 0.93 0.45 0.82 -0.73 0.00 0.00 179.01 180.50 1r7s h ILE 68 N 0.85 1.16 -0.34 2.32 1.08 -1.16 0.12 117.51 121.54 1r7s h ILE 68 Ca 0.17 -0.31 -0.06 0.00 -0.39 0.00 0.00 64.86 64.27 1r7s h ILE 68 Cb 0.46 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1r7s h ILE 68 CO 0.02 0.16 -0.03 1.23 -0.69 0.00 0.00 178.15 178.85 1r7s h GLY 69 N 0.90 0.58 1.49 5.37 0.00 -1.04 -2.97 103.07 107.40 1r7s h GLY 69 Ca 0.25 -0.36 -0.29 0.00 0.00 0.00 0.00 47.33 46.94 1r7s h GLY 69 CO -0.06 0.33 -1.35 -0.33 0.00 0.00 0.00 176.54 175.13 1r7s h MET 70 N 0.51 0.27 -0.42 4.80 2.86 -0.74 -3.29 114.93 118.92 1r7s h MET 70 Ca 0.11 -0.46 0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1r7s h MET 70 Cb 0.37 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1r7s h MET 70 CO 0.01 1.19 0.30 -0.07 1.06 0.00 0.00 176.91 179.40 1r7s h LEU 71 N 0.07 0.06 -1.70 1.22 3.38 -0.63 -1.11 115.31 116.60 1r7s h LEU 71 Ca -0.17 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.01 1r7s h LEU 71 Cb 1.99 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.68 1r7s h LEU 71 CO 0.19 0.04 0.58 -0.08 0.09 0.00 0.00 178.44 179.26 1r7s h GLU 72 N 0.07 0.25 -0.64 1.13 4.81 -1.60 -1.88 114.58 116.72 1r7s h GLU 72 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1r7s h GLU 72 Cb 0.70 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1r7s h GLU 72 CO -0.01 0.16 0.00 0.41 -0.73 0.00 0.00 179.01 178.84 1r7s n GLY 73 N -1.58 2.09 3.67 1.92 0.00 -0.42 -4.99 105.19 105.88 1r7s n GLY 73 Ca 0.18 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1r7s n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r7s n VAL 74 N 1.27 4.07 -0.00 1.61 0.24 -0.71 -4.93 118.33 119.89 1r7s n VAL 74 Ca 0.22 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.99 1r7s n VAL 74 Cb 0.60 -1.34 -0.11 0.00 -1.47 0.00 0.00 33.84 31.52 1r7s n VAL 74 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1r7s n THR 75 N -1.63 1.27 -2.17 3.34 -2.24 -1.26 -4.84 114.28 106.75 1r7s n THR 75 Ca 0.14 -0.73 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 1r7s n THR 75 Cb 0.47 -0.75 0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1r7s n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r7s s ALA 76 N -2.81 2.96 0.19 6.98 0.00 -1.26 -4.97 121.76 122.84 1r7s s ALA 76 Ca -0.04 -1.15 -0.33 0.00 0.00 0.00 0.00 51.96 50.44 1r7s s ALA 76 Cb 0.08 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.51 1r7s s ALA 76 CO 0.82 -1.70 1.60 -1.91 0.00 0.00 0.00 175.76 174.58 1r7s n GLU 77 N -3.18 2.34 -2.87 0.00 2.13 -1.26 -4.95 120.64 112.85 1r7s n GLU 77 Ca 0.11 0.84 -0.41 0.00 0.66 0.00 0.00 57.16 58.37 1r7s n GLU 77 Cb 0.60 -2.62 -0.04 0.00 0.27 0.00 0.00 31.44 29.65 1r7s n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1r7s s LEU 78 N 0.82 4.27 0.30 4.31 2.96 -1.26 -5.01 118.68 125.06 1r7s s LEU 78 Ca 0.76 1.33 0.06 0.00 -0.22 0.00 0.00 54.13 56.06 1r7s s LEU 78 Cb -0.62 -3.31 -0.06 0.00 0.50 0.00 0.00 46.19 42.71 1r7s s LEU 78 CO 0.38 -0.29 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.55 1r7s s LYS 79 N 1.49 1.60 0.56 1.98 1.02 -1.26 -5.02 119.74 120.11 1r7s s LYS 79 Ca 0.42 -1.84 0.26 0.00 0.02 0.00 0.00 55.97 54.84 1r7s s LYS 79 Cb -0.18 -1.12 1.52 0.00 -0.52 0.00 0.00 37.83 37.53 1r7s s LYS 79 CO 0.18 -0.02 2.06 -1.35 -0.92 0.00 0.00 175.35 175.31 1r7s h PRO 80 N 2.21 0.00 -0.60 -1.68 0.11 -2.02 -1.28 132.00 128.75 1r7s h PRO 80 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1r7s h PRO 80 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1r7s h PRO 80 CO 0.69 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.75 1r7s n ASN 81 N -4.05 5.19 -4.75 -2.05 6.94 -1.26 -4.97 115.26 110.30 1r7s n ASN 81 Ca 0.04 -2.69 -0.41 0.00 -0.02 0.00 0.00 54.58 51.50 1r7s n ASN 81 Cb 0.40 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 37.16 1r7s n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1r7s s SER 82 N -0.90 7.06 0.09 0.53 0.01 -0.48 -0.69 113.70 119.32 1r7s s SER 82 Ca 0.52 2.38 -0.10 0.00 1.31 0.00 0.00 55.95 60.06 1r7s s SER 82 Cb 0.37 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1r7s s SER 82 CO 0.20 -0.33 0.22 -0.13 0.41 0.00 0.00 173.24 173.61 1r7s s ARG 83 N -1.08 0.85 -0.30 12.44 1.81 -0.22 -4.92 118.95 127.53 1r7s s ARG 83 Ca 0.49 -0.88 -0.17 0.00 -1.72 0.00 0.00 55.73 53.45 1r7s s ARG 83 Cb -0.34 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1r7s s ARG 83 CO 0.42 -0.28 0.48 -0.51 -0.68 0.00 0.00 175.30 174.73 1r7s s LEU 84 N -2.74 4.18 0.00 2.53 1.43 -1.26 -1.08 118.68 121.74 1r7s s LEU 84 Ca 0.03 0.22 0.19 0.00 -1.03 0.00 0.00 54.13 53.54 1r7s s LEU 84 Cb 0.04 -2.57 0.87 0.00 0.03 0.00 0.00 46.19 44.56 1r7s s LEU 84 CO -0.10 -0.34 1.59 0.00 0.23 0.00 0.00 176.35 177.73 1r7s n GLN 87 N -1.33 1.24 -3.60 0.00 1.13 -0.48 -4.82 117.38 109.51 1r7s n GLN 87 Ca 0.09 -0.96 -0.40 0.00 -1.94 0.00 0.00 57.00 53.80 1r7s n GLN 87 Cb 0.20 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 28.96 1r7s n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1r7s s ILE 88 N -2.42 4.64 -0.18 5.09 1.01 -0.97 -4.95 121.20 123.42 1r7s s ILE 88 Ca 0.22 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 1r7s s ILE 88 Cb 0.19 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1r7s s ILE 88 CO 0.52 -0.15 0.08 -0.63 0.00 0.00 0.00 174.94 174.76 1r7s s ILE 89 N 1.58 4.93 0.32 2.92 -1.09 -1.26 -1.39 121.20 127.21 1r7s s ILE 89 Ca 0.03 0.02 -0.28 0.00 -2.23 0.00 0.00 60.65 58.18 1r7s s ILE 89 Cb -0.18 -3.22 -0.10 0.00 -1.58 0.00 0.00 42.46 37.37 1r7s s ILE 89 CO 0.07 0.46 1.18 -0.32 -1.23 0.00 0.00 174.94 175.10 1r7s s MET 90 N 0.34 4.45 0.11 2.79 1.75 -0.09 -4.86 119.30 123.78 1r7s s MET 90 Ca 0.04 1.94 -0.04 0.00 -1.25 0.00 0.00 55.69 56.39 1r7s s MET 90 Cb -0.12 -3.06 -0.03 0.00 2.84 0.00 0.00 34.83 34.46 1r7s s MET 90 CO -0.00 -0.00 0.09 0.95 -0.65 0.00 0.00 175.02 175.41 1r7s s THR 91 N -1.20 0.14 0.43 10.11 -4.23 -1.26 -1.25 115.64 118.38 1r7s s THR 91 Ca 0.48 -1.68 0.13 0.00 -1.18 0.00 0.00 61.69 59.45 1r7s s THR 91 Cb -0.34 -1.75 0.18 0.00 1.34 0.00 0.00 72.50 71.92 1r7s s THR 91 CO 0.44 -0.61 1.97 -0.65 -0.54 0.00 0.00 174.62 175.23 1r7s h PRO 92 N 2.87 0.05 0.00 3.99 0.11 -1.96 -1.21 132.00 135.85 1r7s h PRO 92 Ca -0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1r7s h PRO 92 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r7s h PRO 92 CO 0.59 0.23 -0.05 0.93 -0.21 0.00 0.00 178.00 179.48 1r7s h GLU 93 N 0.05 0.00 -0.27 1.05 3.07 -2.00 -1.92 114.58 114.55 1r7s h GLU 93 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1r7s h GLU 93 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1r7s h GLU 93 CO 0.02 0.05 0.00 1.28 -1.40 0.00 0.00 179.01 178.96 1r7s n LEU 94 N -3.45 2.14 -4.63 1.33 4.77 -0.46 -4.95 117.00 111.75 1r7s n LEU 94 Ca -0.02 -0.94 -0.51 0.00 -0.03 0.00 0.00 56.01 54.51 1r7s n LEU 94 Cb 0.17 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1r7s n LEU 94 CO 0.26 0.47 1.06 -0.67 -1.33 0.00 0.00 177.39 177.18 1r7s n ASP 95 N 0.64 2.22 0.00 -1.43 -0.08 -0.72 -0.79 116.55 116.38 1r7s n ASP 95 Ca 0.16 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 1r7s n ASP 95 Cb 0.39 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1r7s n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r7s n GLY 96 N 3.04 0.70 3.66 0.27 0.00 0.11 -4.89 105.19 108.08 1r7s n GLY 96 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 1r7s n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1r7s n ILE 97 N -2.00 0.36 -4.65 -0.61 3.06 0.03 -4.66 119.36 110.90 1r7s n ILE 97 Ca 0.00 -0.09 -0.33 0.00 -2.50 0.00 0.00 62.75 59.83 1r7s n ILE 97 Cb 0.00 -1.42 -0.13 0.00 0.54 0.00 0.00 39.64 38.63 1r7s n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1r7s s VAL 98 N 0.49 3.42 0.02 9.51 1.01 -1.26 -0.53 120.40 133.06 1r7s s VAL 98 Ca 0.75 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1r7s s VAL 98 Cb -0.70 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1r7s s VAL 98 CO 0.43 0.53 -0.16 0.68 0.00 0.00 0.00 175.10 176.59 1r7s s VAL 99 N 0.10 1.24 -0.15 2.92 -7.23 -0.19 -1.60 120.40 115.49 1r7s s VAL 99 Ca -0.04 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1r7s s VAL 99 Cb -0.14 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1r7s s VAL 99 CO 0.04 0.16 0.04 -1.81 -0.31 0.00 0.00 175.10 173.22 1r7s s ASP 100 N -0.85 5.45 -0.23 4.85 1.11 0.22 -0.97 116.67 126.25 1r7s s ASP 100 Ca 0.04 0.10 -0.12 0.00 0.18 0.00 0.00 52.55 52.75 1r7s s ASP 100 Cb -0.07 -1.81 -0.05 0.00 1.07 0.00 0.00 42.92 42.06 1r7s s ASP 100 CO 0.01 0.25 0.25 -0.69 1.18 0.00 0.00 175.17 176.17 1r7s s VAL 101 N -0.11 5.30 1.13 -1.27 1.01 0.34 0.04 120.40 126.84 1r7s s VAL 101 Ca 0.06 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1r7s s VAL 101 Cb -0.12 -3.58 0.26 0.00 0.00 0.00 0.00 36.38 32.93 1r7s s VAL 101 CO 0.02 0.30 1.04 -2.16 0.00 0.00 0.00 175.10 174.30 1r7s s PRO 102 N 1.24 -0.63 0.00 2.72 0.04 -1.26 -3.04 135.00 134.07 1r7s s PRO 102 Ca 0.12 0.74 0.30 0.00 0.04 0.00 0.00 61.00 62.19 1r7s s PRO 102 Cb -0.14 -1.60 1.50 0.00 0.04 0.00 0.00 34.50 34.31 1r7s s PRO 102 CO 0.06 -3.50 2.04 -0.40 0.04 0.00 0.00 177.00 175.24 1r7s n ASP 103 N -4.75 0.05 -3.69 6.66 3.85 -1.26 -4.66 116.55 112.75 1r7s n ASP 103 Ca 0.03 -0.22 -0.13 0.00 -0.71 0.00 0.00 54.79 53.76 1r7s n ASP 103 Cb 0.55 -0.25 -0.07 0.00 -1.35 0.00 0.00 41.12 40.00 1r7s n ASP 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1r7s s ARG 104 N -2.54 0.85 0.00 0.11 1.70 -1.26 -5.04 118.95 112.77 1r7s s ARG 104 Ca 0.29 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.25 1r7s s ARG 104 Cb 0.20 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1r7s s ARG 104 CO 0.46 -0.28 0.00 1.04 -1.08 0.00 0.00 175.30 175.44 1r7s n GLN 105 N 0.72 1.50 0.00 3.89 1.13 -1.26 -4.25 117.38 119.11 1r7s n GLN 105 Ca -0.19 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.00 1r7s n GLN 105 Cb 0.59 -0.95 0.28 0.00 0.11 0.00 0.00 30.24 30.26 1r7s n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53