#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 4.51 -0.05 1.43 1.02 -1.26 -0.25 119.74 125.14 1r7s s LYS 2 Ca 0.00 1.72 0.01 0.00 0.02 0.00 0.00 55.97 57.72 1r7s s LYS 2 Cb 0.00 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1r7s s LYS 2 CO 0.00 -0.11 -0.05 0.08 -0.92 0.00 0.00 175.35 174.35 1r7s s VAL 3 N 0.55 0.59 -0.14 3.17 1.01 -0.80 -0.00 120.40 124.77 1r7s s VAL 3 Ca 0.54 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1r7s s VAL 3 Cb -0.29 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1r7s s VAL 3 CO 0.31 0.24 -0.18 -0.69 0.00 0.00 0.00 175.10 174.79 1r7s s VAL 4 N 0.95 2.53 -0.24 2.92 1.01 -0.28 -0.91 120.40 126.38 1r7s s VAL 4 Ca -0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1r7s s VAL 4 Cb -0.14 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1r7s s VAL 4 CO 0.00 0.53 -0.00 -0.31 0.00 0.00 0.00 175.10 175.32 1r7s s TYR 5 N 0.62 3.02 -0.29 5.22 1.51 0.00 -0.91 117.35 126.52 1r7s s TYR 5 Ca -0.10 -0.89 -0.10 0.00 -1.01 0.00 0.00 57.07 54.97 1r7s s TYR 5 Cb -0.16 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 1r7s s TYR 5 CO 0.03 -0.53 0.16 0.08 -1.11 0.00 0.00 175.55 174.18 1r7s s VAL 6 N 1.50 4.96 0.91 0.71 1.01 0.22 -1.07 120.40 128.64 1r7s s VAL 6 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1r7s s VAL 6 Cb -0.15 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 32.95 1r7s s VAL 6 CO -0.01 0.20 1.12 -0.94 0.00 0.00 0.00 175.10 175.47 1r7s s SER 7 N 1.70 3.47 0.53 3.32 1.04 0.43 -0.04 113.70 124.15 1r7s s SER 7 Ca 0.06 1.06 0.19 0.00 0.48 0.00 0.00 55.95 57.74 1r7s s SER 7 Cb -0.16 -1.68 1.36 0.00 0.10 0.00 0.00 66.02 65.64 1r7s s SER 7 CO 0.08 -2.58 2.16 1.12 0.98 0.00 0.00 173.24 175.00 1r7s h HIS 8 N -1.52 0.00 -0.39 5.02 2.07 -1.76 -0.31 115.15 118.26 1r7s h HIS 8 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1r7s h HIS 8 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1r7s h HIS 8 CO 0.32 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.78 1r7s n ASP 9 N -4.42 2.32 0.00 3.10 3.85 -1.26 -4.93 116.55 115.22 1r7s n ASP 9 Ca -0.02 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 1r7s n ASP 9 Cb 0.11 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 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 1.03 0.45 3.74 6.12 0.00 -0.13 -5.05 105.19 111.35 1r7s n GLY 10 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.16 2.72 -0.14 2.61 2.01 -1.26 -4.73 115.64 114.69 1r7s s THR 11 Ca 0.00 0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1r7s s THR 11 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1r7s s THR 11 CO 0.00 0.08 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.83 1r7s s ARG 12 N -0.06 3.51 -0.15 4.92 0.52 -1.26 -0.43 118.95 126.00 1r7s s ARG 12 Ca 0.61 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 1r7s s ARG 12 Cb -0.42 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.25 1r7s s ARG 12 CO 0.40 0.29 -0.19 1.03 0.02 0.00 0.00 175.30 176.85 1r7s s ARG 13 N 0.21 2.80 -0.14 3.54 3.00 -0.23 -4.96 118.95 123.16 1r7s s ARG 13 Ca -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 55.73 54.92 1r7s s ARG 13 Cb -0.14 -2.36 -0.02 0.00 0.00 0.00 0.00 34.95 32.43 1r7s s ARG 13 CO 0.03 -0.12 -0.11 -2.00 0.00 0.00 0.00 175.30 173.10 1r7s s GLU 14 N 1.11 3.42 0.27 3.54 2.12 -1.26 -0.82 118.70 127.08 1r7s s GLU 14 Ca -0.01 -0.66 0.12 0.00 0.36 0.00 0.00 54.97 54.78 1r7s s GLU 14 Cb -0.14 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 1r7s s GLU 14 CO -0.07 0.18 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.12 1r7s s LEU 15 N 0.45 2.57 -0.28 2.70 1.43 -0.08 -4.98 118.68 120.49 1r7s s LEU 15 Ca -0.08 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 51.93 1r7s s LEU 15 Cb -0.15 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1r7s s LEU 15 CO 0.04 0.04 0.08 -0.62 0.23 0.00 0.00 176.35 176.12 1r7s s ASP 16 N -3.41 5.13 -0.14 2.29 2.15 -1.26 -1.91 116.67 119.52 1r7s s ASP 16 Ca 0.29 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1r7s s ASP 16 Cb -0.05 -1.90 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1r7s s ASP 16 CO 0.14 -0.13 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.17 1r7s s VAL 17 N 1.55 2.76 0.56 1.11 1.01 0.66 -4.75 120.40 123.30 1r7s s VAL 17 Ca 0.04 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1r7s s VAL 17 Cb -0.16 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1r7s s VAL 17 CO 0.03 0.52 1.06 0.00 0.00 0.00 0.00 175.10 176.71 1r7s s ALA 18 N 0.59 2.76 0.29 5.51 0.00 -1.26 -1.25 121.76 128.40 1r7s s ALA 18 Ca -0.09 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1r7s s ALA 18 Cb -0.16 -3.25 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 1r7s s ALA 18 CO 0.03 -0.68 1.11 -0.25 0.00 0.00 0.00 175.76 175.98 1r7s n ASP 19 N -1.65 1.74 0.00 0.00 8.00 -1.26 -2.40 116.55 120.97 1r7s n ASP 19 Ca 0.09 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1r7s n ASP 19 Cb 0.52 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 1.24 1.07 3.77 0.44 0.00 0.09 -4.97 105.19 106.83 1r7s n GLY 20 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.91 5.35 0.62 1.61 1.01 -1.01 -4.82 120.40 120.25 1r7s s VAL 21 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1r7s s VAL 21 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1r7s s VAL 21 CO 0.00 0.51 1.07 -0.94 0.00 0.00 0.00 175.10 175.74 1r7s s SER 22 N -0.15 5.56 0.51 3.32 1.04 -1.26 -1.30 113.70 121.41 1r7s s SER 22 Ca 0.10 1.84 0.23 0.00 0.48 0.00 0.00 55.95 58.60 1r7s s SER 22 Cb -0.11 -2.53 1.37 0.00 0.10 0.00 0.00 66.02 64.84 1r7s s SER 22 CO 0.00 -1.32 2.08 -0.07 0.98 0.00 0.00 173.24 174.91 1r7s h LEU 23 N 0.20 0.00 -0.06 2.42 3.38 -0.89 -1.77 115.31 118.59 1r7s h LEU 23 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1r7s h LEU 23 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1r7s h LEU 23 CO 0.56 0.12 -0.12 -0.03 0.09 0.00 0.00 178.44 179.06 1r7s h MET 24 N 0.00 0.19 -0.62 1.13 4.05 -1.80 -2.16 114.93 115.72 1r7s h MET 24 Ca -0.00 -0.12 0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1r7s h MET 24 Cb 0.26 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.00 1r7s h MET 24 CO 0.01 0.71 0.23 1.96 0.23 0.00 0.00 176.91 180.05 1r7s h GLN 25 N -0.30 0.39 -0.56 0.39 4.20 -1.77 -0.01 115.11 117.45 1r7s h GLN 25 Ca 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1r7s h GLN 25 Cb 0.70 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1r7s h GLN 25 CO 0.03 0.26 0.05 0.00 -0.67 0.00 0.00 178.83 178.50 1r7s h ALA 26 N 1.43 1.03 -0.08 3.87 0.00 -1.34 -1.59 119.26 122.59 1r7s h ALA 26 Ca 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1r7s h ALA 26 Cb 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r7s h ALA 26 CO -0.32 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 1r7s h ALA 27 N 1.18 0.11 0.00 0.00 0.00 -0.65 -2.85 119.26 117.05 1r7s h ALA 27 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r7s h ALA 27 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r7s h ALA 27 CO 0.02 -0.12 0.00 -0.39 0.00 0.00 0.00 179.25 178.76 1r7s h VAL 28 N -0.22 0.00 0.00 0.00 -1.51 -0.98 -1.67 116.25 111.86 1r7s h VAL 28 Ca 0.02 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1r7s h VAL 28 Cb 0.51 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1r7s h VAL 28 CO 0.01 0.00 -0.20 -1.20 -1.23 0.00 0.00 177.57 174.95 1r7s n SER 29 N -2.93 0.25 -0.97 4.19 7.64 -0.60 -4.31 113.62 116.89 1r7s n SER 29 Ca 0.02 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.17 1r7s n SER 29 Cb 0.39 -0.22 0.08 0.00 -1.01 0.00 0.00 64.21 63.45 1r7s n SER 29 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1r7s n ASN 30 N -1.57 1.19 -0.06 6.43 3.02 -0.93 -5.01 115.26 118.32 1r7s n ASN 30 Ca 0.06 -2.66 -0.01 0.00 -0.03 0.00 0.00 54.58 51.94 1r7s n ASN 30 Cb 0.35 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.22 0.47 3.31 7.41 0.00 -1.16 -4.93 105.19 110.07 1r7s n GLY 31 Ca 0.10 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.96 4.15 0.30 -0.61 5.41 -0.67 -4.79 119.36 120.19 1r7s n ILE 32 Ca -0.01 -4.41 0.19 0.00 1.00 0.00 0.00 62.75 59.53 1r7s n ILE 32 Cb 0.04 -2.43 1.02 0.00 -0.71 0.00 0.00 39.64 37.55 1r7s n ILE 32 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 1r7s h TYR 33 N 6.85 0.00 -0.01 1.39 -0.00 -1.92 -1.92 116.97 121.36 1r7s h TYR 33 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.11 1r7s h TYR 33 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.53 1r7s h TYR 33 CO 1.23 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.99 1r7s n ASP 34 N -3.30 0.31 -4.26 0.10 5.75 -1.26 -4.46 116.55 109.42 1r7s n ASP 34 Ca -0.02 -1.23 -0.33 0.00 -0.01 0.00 0.00 54.79 53.19 1r7s n ASP 34 Cb 0.19 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.12 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 -1.99 2.74 -0.16 2.12 1.01 -0.72 -4.74 121.20 119.46 1r7s s ILE 35 Ca 0.40 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1r7s s ILE 35 Cb 0.19 -2.17 -0.23 0.00 0.01 0.00 0.00 42.46 40.25 1r7s s ILE 35 CO 0.31 0.50 0.30 0.52 0.00 0.00 0.00 174.94 176.58 1r7s n VAL 36 N 4.20 1.68 -3.65 2.92 0.31 -0.25 -4.72 118.33 118.81 1r7s n VAL 36 Ca -0.19 -0.38 -0.25 0.00 -0.01 0.00 0.00 64.34 63.51 1r7s n VAL 36 Cb 0.51 -1.88 0.07 0.00 -0.91 0.00 0.00 33.84 31.64 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 1.74 -0.54 0.25 2.92 0.00 -1.03 -4.91 105.19 103.63 1r7s n GLY 37 Ca -0.32 0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.59 -0.19 0.56 1.61 3.58 -1.95 -1.36 116.42 116.09 1r7s h ASP 38 Ca -0.57 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1r7s h ASP 38 Cb 1.37 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1r7s h ASP 38 CO 0.58 -0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.85 1r7s n GLY 40 N 0.84 0.68 1.04 0.00 0.00 -0.51 -4.33 105.19 102.90 1r7s n GLY 40 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.57 1.14 0.98 -0.02 0.00 -1.26 -4.99 105.19 98.45 1r7s n GLY 41 Ca 0.00 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 1.04 3.85 -3.58 1.61 3.41 -1.26 -4.89 113.62 113.80 1r7s n SER 42 Ca 0.00 -2.65 -0.20 0.00 -0.26 0.00 0.00 58.87 55.76 1r7s n SER 42 Cb 0.26 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.07 -1.93 -0.25 7.33 0.00 -1.26 -4.93 120.51 119.53 1r7s n ALA 43 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1r7s n ALA 43 Cb 0.78 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -3.08 1.34 0.00 0.00 7.64 -1.26 -4.73 113.62 113.53 1r7s n SER 44 Ca -0.26 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.03 1r7s n SER 44 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.21 -0.08 -0.23 0.00 0.00 -1.26 -4.89 120.51 113.83 1r7s n ALA 46 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1r7s n ALA 46 Cb 0.00 -1.08 0.30 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.56 1.59 -1.43 0.00 -2.24 -1.26 -3.77 114.28 104.61 1r7s n THR 47 Ca -0.06 -0.97 0.07 0.00 -2.27 0.00 0.00 64.05 60.83 1r7s n THR 47 Cb 0.32 -0.02 0.17 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.96 2.87 0.10 0.00 5.04 -1.25 -0.94 115.29 118.15 1r7s s HIS 49 Ca 0.35 0.44 -0.05 0.00 -1.54 0.00 0.00 55.06 54.26 1r7s s HIS 49 Cb 0.33 -4.13 -0.02 0.00 0.04 0.00 0.00 32.58 28.80 1r7s s HIS 49 CO -0.03 -4.17 0.12 0.14 -2.34 0.00 0.00 174.74 168.46 1r7s s VAL 50 N 0.90 0.15 -0.27 0.89 -7.23 -0.02 -4.34 120.40 110.47 1r7s s VAL 50 Ca 0.72 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.31 1r7s s VAL 50 Cb -0.49 -1.59 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 1r7s s VAL 50 CO 0.36 -0.66 0.05 -0.31 -0.31 0.00 0.00 175.10 174.22 1r7s s TYR 51 N -3.93 3.10 -0.04 2.82 2.02 0.10 -0.63 117.35 120.80 1r7s s TYR 51 Ca 0.11 -0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 55.61 1r7s s TYR 51 Cb 0.06 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 1r7s s TYR 51 CO -0.07 -0.54 1.05 0.08 -1.57 0.00 0.00 175.55 174.50 1r7s s VAL 52 N 1.51 4.65 0.32 0.71 1.01 -0.08 -0.43 120.40 128.08 1r7s s VAL 52 Ca 0.04 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.66 1r7s s VAL 52 Cb -0.16 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1r7s s VAL 52 CO 0.01 0.08 1.09 -3.20 0.00 0.00 0.00 175.10 173.08 1r7s n ASN 53 N 4.47 1.75 -0.23 3.32 2.85 -0.55 -4.67 115.26 122.19 1r7s n ASN 53 Ca 0.08 1.18 0.23 0.00 -0.11 0.00 0.00 54.58 55.96 1r7s n ASN 53 Cb 0.49 -1.35 0.59 0.00 1.24 0.00 0.00 39.78 40.74 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 2.12 0.25 0.00 1.20 4.11 -1.93 0.88 114.58 121.20 1r7s h GLU 54 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1r7s h GLU 54 Cb 1.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1r7s h GLU 54 CO 0.61 0.16 0.00 0.00 0.07 0.00 0.00 179.01 179.85 1r7s n ALA 55 N -2.58 1.54 -0.09 1.06 0.00 -1.26 -3.35 120.51 115.82 1r7s n ALA 55 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1r7s n ALA 55 Cb 0.82 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.57 0.00 -0.29 0.00 3.72 0.29 -4.79 117.46 114.81 1r7s n PHE 56 Ca 0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.48 1r7s n PHE 56 Cb 0.14 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.09 0.81 0.00 4.37 1.35 -1.52 -0.93 112.91 117.08 1r7s h THR 57 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1r7s h THR 57 Cb 0.04 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1r7s h THR 57 CO 0.00 0.13 0.00 0.47 -0.25 0.00 0.00 175.52 175.87 1r7s n ASP 58 N -4.81 0.50 -0.91 5.36 8.00 -1.26 -3.80 116.55 119.62 1r7s n ASP 58 Ca 0.15 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.34 1r7s n ASP 58 Cb 0.36 -0.69 0.17 0.00 -0.02 0.00 0.00 41.12 40.93 1r7s n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r7s n LYS 59 N -1.99 2.26 -4.35 -1.24 5.02 -0.35 -4.92 118.16 112.59 1r7s n LYS 59 Ca 0.05 -1.83 -0.26 0.00 -2.02 0.00 0.00 58.31 54.24 1r7s n LYS 59 Cb 0.34 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1r7s n LYS 59 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1r7s s VAL 60 N -1.95 2.85 0.44 -0.18 -7.23 -1.23 -4.96 120.40 108.13 1r7s s VAL 60 Ca 0.30 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.37 1r7s s VAL 60 Cb 0.20 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.64 1r7s s VAL 60 CO 0.31 -0.14 1.32 -2.65 -0.31 0.00 0.00 175.10 173.62 1r7s n PRO 61 N 0.04 2.00 -1.24 4.82 -0.02 -1.26 -4.94 135.00 134.40 1r7s n PRO 61 Ca -0.11 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 1r7s n PRO 61 Cb 0.56 -2.46 0.11 0.00 -0.02 0.00 0.00 33.50 31.69 1r7s n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r7s n ALA 62 N -0.25 -0.08 -2.11 3.55 0.00 -1.26 -4.95 120.51 115.41 1r7s n ALA 62 Ca 0.06 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1r7s n ALA 62 Cb 0.40 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 1r7s n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r7s s ALA 63 N -1.95 3.45 0.94 0.00 0.00 -1.26 -5.03 121.76 117.90 1r7s s ALA 63 Ca 0.74 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.53 1r7s s ALA 63 Cb -0.32 -3.43 0.19 0.00 0.00 0.00 0.00 23.12 19.57 1r7s s ALA 63 CO 0.50 -0.41 1.17 0.27 0.00 0.00 0.00 175.76 177.30 1r7s n ASN 64 N 2.80 0.36 0.15 0.00 0.23 -1.26 -4.83 115.26 112.71 1r7s n ASN 64 Ca 0.06 -1.59 0.01 0.00 -0.53 0.00 0.00 54.58 52.52 1r7s n ASN 64 Cb 0.45 -0.87 0.29 0.00 -2.08 0.00 0.00 39.78 37.57 1r7s n ASN 64 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1r7s h GLU 65 N 0.00 0.09 -0.46 -3.83 5.08 -1.99 -1.79 114.58 111.68 1r7s h GLU 65 Ca -0.38 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1r7s h GLU 65 Cb 1.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1r7s h GLU 65 CO 0.29 0.48 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.64 1r7s h ARG 66 N 0.07 0.85 -0.14 2.33 2.43 -1.94 -0.88 114.38 117.10 1r7s h ARG 66 Ca 0.01 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1r7s h ARG 66 Cb 0.75 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1r7s h ARG 66 CO 0.06 0.93 0.03 1.49 -1.51 0.00 0.00 179.97 180.97 1r7s h GLU 67 N 0.70 0.23 -0.79 0.20 4.81 -1.78 -1.57 114.58 116.37 1r7s h GLU 67 Ca 0.12 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1r7s h GLU 67 Cb 0.59 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 1r7s h GLU 67 CO 0.04 0.41 0.44 0.82 -0.73 0.00 0.00 179.01 179.99 1r7s h ILE 68 N 0.02 0.90 -0.73 2.32 1.08 -1.23 0.33 117.51 120.20 1r7s h ILE 68 Ca 0.04 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1r7s h ILE 68 Cb 0.29 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1r7s h ILE 68 CO 0.00 0.14 0.31 1.23 -0.69 0.00 0.00 178.15 179.13 1r7s h GLY 69 N 0.74 1.14 1.22 5.37 0.00 -0.90 -2.47 103.07 108.17 1r7s h GLY 69 Ca 0.38 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 1r7s h GLY 69 CO -0.25 0.56 -0.73 -0.33 0.00 0.00 0.00 176.54 175.79 1r7s h MET 70 N 1.04 0.77 -0.20 4.80 2.86 -0.25 -3.15 114.93 120.81 1r7s h MET 70 Ca 0.25 -0.60 0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1r7s h MET 70 Cb 0.17 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1r7s h MET 70 CO -0.02 1.21 0.17 -0.07 1.06 0.00 0.00 176.91 179.26 1r7s h LEU 71 N 0.54 0.00 -1.88 1.22 3.38 -0.11 -0.91 115.31 117.55 1r7s h LEU 71 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r7s h LEU 71 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1r7s h LEU 71 CO 0.15 0.00 0.11 -0.08 0.09 0.00 0.00 178.44 178.70 1r7s h GLU 72 N 0.00 0.16 -0.63 1.13 4.81 -1.40 -2.36 114.58 116.28 1r7s h GLU 72 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1r7s h GLU 72 Cb 0.44 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1r7s h GLU 72 CO -0.00 0.11 0.00 0.41 -0.73 0.00 0.00 179.01 178.80 1r7s n GLY 73 N -1.53 2.25 3.66 1.92 0.00 -0.35 -4.98 105.19 106.17 1r7s n GLY 73 Ca -0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 0.98 3.62 0.06 1.61 0.24 -0.89 -4.92 118.33 119.04 1r7s n VAL 74 Ca 0.22 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 62.05 1r7s n VAL 74 Cb 0.74 -1.34 -0.05 0.00 -1.47 0.00 0.00 33.84 31.72 1r7s n VAL 74 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1r7s h THR 75 N 0.97 0.40 -2.60 3.34 1.35 -1.85 -3.46 112.91 111.05 1r7s h THR 75 Ca -0.49 -1.75 -0.46 0.00 -0.55 0.00 0.00 66.41 63.15 1r7s h THR 75 Cb 1.34 1.93 0.12 0.00 -1.73 0.00 0.00 68.15 69.81 1r7s h THR 75 CO 0.54 0.23 0.23 0.00 -0.25 0.00 0.00 175.52 176.26 1r7s s ALA 76 N -3.04 3.18 0.17 6.62 0.00 -1.26 -4.99 121.76 122.44 1r7s s ALA 76 Ca -0.02 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 1r7s s ALA 76 Cb 0.09 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.90 1r7s s ALA 76 CO 0.80 -1.96 1.56 -2.00 0.00 0.00 0.00 175.76 174.16 1r7s s GLU 77 N -5.47 4.22 -0.10 0.00 2.12 -1.26 -4.97 118.70 113.24 1r7s s GLU 77 Ca 0.71 2.36 -0.26 0.00 0.36 0.00 0.00 54.97 58.14 1r7s s GLU 77 Cb -0.03 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 1r7s s GLU 77 CO 0.48 -0.60 0.86 -1.17 -0.54 0.00 0.00 175.26 174.29 1r7s s LEU 78 N 1.06 4.26 0.39 2.70 2.96 -1.26 -5.02 118.68 123.78 1r7s s LEU 78 Ca 0.69 1.34 0.07 0.00 -0.22 0.00 0.00 54.13 56.01 1r7s s LEU 78 Cb -0.44 -3.32 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 1r7s s LEU 78 CO 0.32 -0.30 0.01 -0.54 -1.32 0.00 0.00 176.35 174.51 1r7s s LYS 79 N 1.54 1.90 0.50 1.98 1.02 -1.26 -5.01 119.74 120.41 1r7s s LYS 79 Ca 0.43 -2.07 0.17 0.00 0.02 0.00 0.00 55.97 54.52 1r7s s LYS 79 Cb -0.18 -1.53 1.24 0.00 -0.52 0.00 0.00 37.83 36.84 1r7s s LYS 79 CO 0.18 -0.06 2.08 -1.35 -0.92 0.00 0.00 175.35 175.28 1r7s h PRO 80 N 1.84 0.10 -0.63 -1.68 0.11 -2.01 -1.53 132.00 128.19 1r7s h PRO 80 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1r7s h PRO 80 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1r7s h PRO 80 CO 0.79 0.07 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1r7s n ASN 81 N -4.48 3.73 -4.76 -2.05 6.94 -1.26 -4.97 115.26 108.41 1r7s n ASN 81 Ca 0.03 -2.20 -0.41 0.00 -0.02 0.00 0.00 54.58 51.97 1r7s n ASN 81 Cb 0.26 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.18 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 -0.91 6.84 0.14 0.53 0.01 -0.58 -0.91 113.70 118.82 1r7s s SER 82 Ca 0.42 2.56 -0.09 0.00 1.31 0.00 0.00 55.95 60.16 1r7s s SER 82 Cb 0.25 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 1r7s s SER 82 CO 0.24 -0.52 0.24 -0.13 0.41 0.00 0.00 173.24 173.49 1r7s s ARG 83 N -1.05 1.04 -0.39 12.44 1.81 0.20 -4.92 118.95 128.08 1r7s s ARG 83 Ca 0.52 -1.11 -0.18 0.00 -1.72 0.00 0.00 55.73 53.25 1r7s s ARG 83 Cb -0.38 0.36 0.01 0.00 -0.45 0.00 0.00 34.95 34.49 1r7s s ARG 83 CO 0.46 -0.36 0.47 -0.51 -0.68 0.00 0.00 175.30 174.68 1r7s s LEU 84 N -2.93 4.62 0.00 2.53 1.43 -1.26 -0.84 118.68 122.22 1r7s s LEU 84 Ca 0.13 -0.40 0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1r7s s LEU 84 Cb 0.04 -2.47 0.54 0.00 0.03 0.00 0.00 46.19 44.32 1r7s s LEU 84 CO -0.04 -0.55 1.29 0.00 0.23 0.00 0.00 176.35 177.29 1r7s n GLN 87 N -1.45 0.75 -3.60 0.00 1.13 -0.48 -4.79 117.38 108.94 1r7s n GLN 87 Ca 0.07 -0.49 -0.40 0.00 -1.94 0.00 0.00 57.00 54.24 1r7s n GLN 87 Cb 0.25 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.59 4.74 -0.21 5.09 1.01 -0.93 -4.95 121.20 123.36 1r7s s ILE 88 Ca 0.21 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 1r7s s ILE 88 Cb 0.19 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1r7s s ILE 88 CO 0.57 -0.10 0.12 -0.63 0.00 0.00 0.00 174.94 174.90 1r7s s ILE 89 N 1.61 5.15 0.36 2.92 -1.09 -1.26 -0.90 121.20 127.99 1r7s s ILE 89 Ca 0.04 0.10 -0.28 0.00 -2.23 0.00 0.00 60.65 58.28 1r7s s ILE 89 Cb -0.18 -3.37 -0.10 0.00 -1.58 0.00 0.00 42.46 37.24 1r7s s ILE 89 CO 0.07 0.40 1.33 -0.32 -1.23 0.00 0.00 174.94 175.20 1r7s s MET 90 N 0.70 4.19 0.10 2.79 1.75 -0.42 -4.83 119.30 123.57 1r7s s MET 90 Ca 0.06 2.24 -0.03 0.00 -1.25 0.00 0.00 55.69 56.72 1r7s s MET 90 Cb -0.13 -2.95 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 1r7s s MET 90 CO 0.01 -0.34 0.06 0.95 -0.65 0.00 0.00 175.02 175.06 1r7s s THR 91 N -1.18 0.15 0.45 10.11 -4.23 -1.26 -0.73 115.64 118.95 1r7s s THR 91 Ca 0.52 -1.74 0.17 0.00 -1.18 0.00 0.00 61.69 59.47 1r7s s THR 91 Cb -0.40 -1.74 0.21 0.00 1.34 0.00 0.00 72.50 71.91 1r7s s THR 91 CO 0.53 -0.68 2.02 -0.65 -0.54 0.00 0.00 174.62 175.30 1r7s h PRO 92 N 2.93 0.00 0.00 3.99 0.11 -1.96 -2.14 132.00 134.93 1r7s h PRO 92 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1r7s h PRO 92 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r7s h PRO 92 CO 0.60 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 1r7s n GLU 93 N -4.19 0.16 -0.35 1.05 0.00 -1.26 -2.01 120.64 114.03 1r7s n GLU 93 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.39 1r7s n GLU 93 Cb 0.23 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.49 1r7s n GLU 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1r7s n LEU 94 N -1.38 3.93 -4.64 -1.84 4.77 -0.80 -4.97 117.00 112.07 1r7s n LEU 94 Ca 0.07 -1.94 -0.48 0.00 -0.03 0.00 0.00 56.01 53.63 1r7s n LEU 94 Cb 0.19 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1r7s n LEU 94 CO 0.16 0.97 1.05 -0.67 -1.33 0.00 0.00 177.39 177.57 1r7s n ASP 95 N 1.66 2.46 0.00 -1.43 -0.08 -0.85 -0.56 116.55 117.74 1r7s n ASP 95 Ca 0.24 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.62 1r7s n ASP 95 Cb 0.63 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.75 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 2.93 0.74 3.66 0.27 0.00 0.99 -4.90 105.19 108.88 1r7s n GLY 96 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 1.17 -4.95 -0.61 3.06 0.27 -4.73 119.36 111.58 1r7s n ILE 97 Ca 0.00 -0.29 -0.33 0.00 -2.50 0.00 0.00 62.75 59.63 1r7s n ILE 97 Cb 0.00 -1.37 -0.15 0.00 0.54 0.00 0.00 39.64 38.66 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 -0.30 2.73 0.01 9.51 1.01 -1.26 -1.12 120.40 130.98 1r7s s VAL 98 Ca 0.66 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1r7s s VAL 98 Cb -0.67 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1r7s s VAL 98 CO 0.53 0.55 -0.19 0.68 0.00 0.00 0.00 175.10 176.66 1r7s s VAL 99 N 0.09 1.52 -0.15 2.92 -7.23 -0.09 -1.48 120.40 115.98 1r7s s VAL 99 Ca -0.08 -0.93 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 1r7s s VAL 99 Cb -0.15 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 1r7s s VAL 99 CO 0.05 0.33 0.14 -1.81 -0.31 0.00 0.00 175.10 173.50 1r7s s ASP 100 N -0.70 6.31 -0.17 4.85 1.11 0.43 -0.61 116.67 127.89 1r7s s ASP 100 Ca 0.07 0.38 -0.08 0.00 0.18 0.00 0.00 52.55 53.10 1r7s s ASP 100 Cb -0.08 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.80 1r7s s ASP 100 CO 0.00 0.32 0.08 -0.69 1.18 0.00 0.00 175.17 176.07 1r7s s VAL 101 N -0.51 4.99 1.00 -1.27 1.01 0.94 0.03 120.40 126.58 1r7s s VAL 101 Ca 0.12 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1r7s s VAL 101 Cb -0.12 -3.23 0.19 0.00 0.00 0.00 0.00 36.38 33.22 1r7s s VAL 101 CO 0.02 0.49 1.08 -2.16 0.00 0.00 0.00 175.10 174.53 1r7s s PRO 102 N 0.07 0.43 0.00 2.72 0.04 -1.26 -2.60 135.00 134.40 1r7s s PRO 102 Ca 0.07 0.67 0.22 0.00 0.04 0.00 0.00 61.00 61.99 1r7s s PRO 102 Cb -0.12 -1.72 0.94 0.00 0.04 0.00 0.00 34.50 33.64 1r7s s PRO 102 CO 0.00 -2.77 1.70 -0.40 0.04 0.00 0.00 177.00 175.57 1r7s n ASP 103 N -4.22 0.00 -3.61 6.66 3.85 -1.26 -4.63 116.55 113.34 1r7s n ASP 103 Ca 0.05 0.48 -0.15 0.00 -0.71 0.00 0.00 54.79 54.46 1r7s n ASP 103 Cb 0.56 -0.49 -0.06 0.00 -1.35 0.00 0.00 41.12 39.78 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 -2.98 0.95 -0.02 0.11 1.70 -1.26 -5.04 118.95 112.40 1r7s s ARG 104 Ca 0.11 -0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.26 1r7s s ARG 104 Cb 0.14 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.93 1r7s s ARG 104 CO 0.40 -0.32 0.01 1.04 -1.08 0.00 0.00 175.30 175.35 1r7s n GLN 105 N 0.71 3.59 0.00 3.89 1.13 -1.26 -4.25 117.38 121.19 1r7s n GLN 105 Ca -0.19 -0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.99 1r7s n GLN 105 Cb 0.59 -1.06 0.14 0.00 0.11 0.00 0.00 30.24 30.02 1r7s n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53