#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 4.35 -0.05 1.43 2.20 -1.26 0.87 119.74 127.28 1r7s s LYS 2 Ca 0.00 1.83 0.02 0.00 -0.36 0.00 0.00 55.97 57.47 1r7s s LYS 2 Cb 0.00 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1r7s s LYS 2 CO 0.00 -0.43 -0.11 0.08 -0.36 0.00 0.00 175.35 174.53 1r7s s VAL 3 N 1.84 0.99 -0.15 4.02 1.01 -0.39 0.37 120.40 128.09 1r7s s VAL 3 Ca 0.60 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1r7s s VAL 3 Cb -0.29 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1r7s s VAL 3 CO 0.26 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 1r7s s VAL 4 N 0.48 2.91 -0.23 2.92 1.01 -0.40 -0.24 120.40 126.84 1r7s s VAL 4 Ca -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1r7s s VAL 4 Cb -0.13 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1r7s s VAL 4 CO 0.02 0.51 -0.03 -0.31 0.00 0.00 0.00 175.10 175.29 1r7s s TYR 5 N 0.69 2.98 -0.26 5.22 1.51 0.56 -0.99 117.35 127.05 1r7s s TYR 5 Ca -0.06 -0.90 -0.08 0.00 -1.01 0.00 0.00 57.07 55.02 1r7s s TYR 5 Cb -0.15 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1r7s s TYR 5 CO 0.02 -0.53 0.09 0.08 -1.11 0.00 0.00 175.55 174.09 1r7s s VAL 6 N 1.49 4.38 0.77 0.71 1.01 0.25 -0.74 120.40 128.27 1r7s s VAL 6 Ca 0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1r7s s VAL 6 Cb -0.14 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1r7s s VAL 6 CO -0.03 0.28 1.14 -0.94 0.00 0.00 0.00 175.10 175.56 1r7s s SER 7 N 1.61 4.84 0.34 3.32 1.04 0.11 0.81 113.70 125.76 1r7s s SER 7 Ca 0.06 0.94 0.11 0.00 0.48 0.00 0.00 55.95 57.53 1r7s s SER 7 Cb -0.16 -1.55 0.91 0.00 0.10 0.00 0.00 66.02 65.32 1r7s s SER 7 CO 0.04 -1.71 1.75 -0.74 0.98 0.00 0.00 173.24 173.56 1r7s h HIS 8 N -0.92 0.94 -0.03 5.02 2.76 -1.70 0.60 115.15 121.83 1r7s h HIS 8 Ca -0.46 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1r7s h HIS 8 Cb 1.30 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1r7s h HIS 8 CO 0.39 0.10 0.00 -0.40 -1.30 0.00 0.00 177.93 176.71 1r7s n ASP 9 N -4.80 0.34 0.00 3.26 3.85 -1.26 -4.90 116.55 113.04 1r7s n ASP 9 Ca 0.26 -1.41 0.00 0.00 -0.71 0.00 0.00 54.79 52.93 1r7s n ASP 9 Cb 0.74 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.50 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 0.89 0.81 3.75 6.12 0.00 0.20 -5.05 105.19 111.92 1r7s n GLY 10 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 2.86 -0.10 2.61 2.01 -1.26 -4.71 115.64 114.53 1r7s s THR 11 Ca 0.00 0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1r7s s THR 11 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1r7s s THR 11 CO 0.00 0.13 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.81 1r7s s ARG 12 N -0.54 3.08 -0.07 4.92 0.52 -1.26 0.05 118.95 125.66 1r7s s ARG 12 Ca 0.56 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 1r7s s ARG 12 Cb -0.40 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.49 1r7s s ARG 12 CO 0.43 0.40 -0.16 0.50 0.02 0.00 0.00 175.30 176.49 1r7s s ARG 13 N -0.12 2.04 -0.11 3.54 6.06 0.08 -4.97 118.95 125.47 1r7s s ARG 13 Ca -0.01 -0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 52.65 1r7s s ARG 13 Cb -0.14 -1.65 -0.02 0.00 0.06 0.00 0.00 34.95 33.20 1r7s s ARG 13 CO 0.03 0.11 -0.08 -2.00 -2.50 0.00 0.00 175.30 170.86 1r7s s GLU 14 N 0.45 3.22 0.16 5.12 2.12 -1.26 -0.32 118.70 128.20 1r7s s GLU 14 Ca -0.13 -0.58 0.09 0.00 0.36 0.00 0.00 54.97 54.71 1r7s s GLU 14 Cb -0.15 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1r7s s GLU 14 CO 0.05 0.40 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.45 1r7s s LEU 15 N -0.10 2.42 -0.35 2.70 1.43 0.66 -4.97 118.68 120.48 1r7s s LEU 15 Ca 0.00 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 1r7s s LEU 15 Cb -0.13 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 1r7s s LEU 15 CO 0.03 0.02 0.23 -0.62 0.23 0.00 0.00 176.35 176.25 1r7s s ASP 16 N -2.57 5.95 -0.18 2.29 2.15 -1.26 -1.26 116.67 121.80 1r7s s ASP 16 Ca 0.16 -0.58 -0.04 0.00 0.43 0.00 0.00 52.55 52.52 1r7s s ASP 16 Cb -0.07 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.42 1r7s s ASP 16 CO 0.07 -0.28 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.08 1r7s s VAL 17 N 1.68 3.83 0.61 1.11 1.01 0.25 -4.72 120.40 124.17 1r7s s VAL 17 Ca 0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1r7s s VAL 17 Cb -0.18 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1r7s s VAL 17 CO 0.09 0.46 1.15 0.00 0.00 0.00 0.00 175.10 176.81 1r7s s ALA 18 N 0.74 2.53 0.28 5.51 0.00 -1.26 -0.73 121.76 128.82 1r7s s ALA 18 Ca -0.01 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1r7s s ALA 18 Cb -0.14 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 1r7s s ALA 18 CO 0.02 -1.13 1.53 -0.25 0.00 0.00 0.00 175.76 175.92 1r7s n ASP 19 N -1.83 3.48 0.00 0.00 8.00 -1.26 -2.15 116.55 122.80 1r7s n ASP 19 Ca 0.12 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1r7s n ASP 19 Cb 0.51 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 2.06 1.60 3.76 0.44 0.00 -0.44 -4.97 105.19 107.65 1r7s n GLY 20 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.36 4.96 0.62 1.61 1.01 -0.91 -4.74 120.40 120.58 1r7s s VAL 21 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1r7s s VAL 21 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1r7s s VAL 21 CO 0.00 0.42 1.06 -0.94 0.00 0.00 0.00 175.10 175.64 1r7s s SER 22 N -0.17 5.64 0.48 3.32 1.04 -1.26 -0.97 113.70 121.77 1r7s s SER 22 Ca 0.30 1.80 0.22 0.00 0.48 0.00 0.00 55.95 58.74 1r7s s SER 22 Cb -0.18 -2.53 1.21 0.00 0.10 0.00 0.00 66.02 64.63 1r7s s SER 22 CO 0.16 -1.27 2.01 -0.07 0.98 0.00 0.00 173.24 175.05 1r7s h LEU 23 N 0.19 0.00 -0.09 2.42 3.38 -0.88 -1.82 115.31 118.51 1r7s h LEU 23 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1r7s h LEU 23 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1r7s h LEU 23 CO 0.57 0.17 -0.02 -0.03 0.09 0.00 0.00 178.44 179.22 1r7s h MET 24 N 0.00 0.18 -0.55 1.13 4.05 -1.75 -1.90 114.93 116.09 1r7s h MET 24 Ca -0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1r7s h MET 24 Cb 0.38 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 1r7s h MET 24 CO 0.02 0.49 0.36 0.37 0.23 0.00 0.00 176.91 178.38 1r7s h GLN 25 N -0.15 0.72 -0.70 0.39 5.75 -1.75 -0.64 115.11 118.74 1r7s h GLN 25 Ca 0.02 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1r7s h GLN 25 Cb 0.42 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1r7s h GLN 25 CO 0.01 0.48 0.35 0.00 -2.65 0.00 0.00 178.83 177.02 1r7s h ALA 26 N 1.20 0.90 -0.26 3.38 0.00 -1.34 -1.02 119.26 122.11 1r7s h ALA 26 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1r7s h ALA 26 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1r7s h ALA 26 CO -0.04 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.75 1r7s h ALA 27 N 1.17 0.35 -0.31 0.00 0.00 -0.90 -2.00 119.26 117.56 1r7s h ALA 27 Ca 0.24 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1r7s h ALA 27 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1r7s h ALA 27 CO -0.03 -0.02 -0.15 0.28 0.00 0.00 0.00 179.25 179.32 1r7s h VAL 28 N 0.26 1.25 0.00 0.00 2.07 -1.02 -1.05 116.25 117.76 1r7s h VAL 28 Ca 0.09 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1r7s h VAL 28 Cb 0.24 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1r7s h VAL 28 CO -0.00 0.37 -0.24 0.28 0.02 0.00 0.00 177.57 178.00 1r7s h SER 29 N 0.51 0.00 -0.37 0.57 0.02 -1.07 -3.18 113.55 110.02 1r7s h SER 29 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1r7s h SER 29 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1r7s h SER 29 CO 0.04 0.24 0.00 0.59 -1.14 0.00 0.00 176.83 176.55 1r7s n ASN 30 N -3.46 3.97 -1.80 3.07 3.02 -0.76 -4.99 115.26 114.31 1r7s n ASN 30 Ca -0.00 -2.69 -0.14 0.00 -0.03 0.00 0.00 54.58 51.72 1r7s n ASN 30 Cb 0.42 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.07 -0.11 3.42 7.41 0.00 -0.84 -4.93 105.19 110.20 1r7s n GLY 31 Ca 0.20 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1r7s n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r7s s ILE 32 N -2.83 5.15 -0.59 -0.61 1.01 -0.47 -4.86 121.20 117.99 1r7s s ILE 32 Ca 0.12 -2.28 0.18 0.00 0.00 0.00 0.00 60.65 58.66 1r7s s ILE 32 Cb -0.05 -4.73 0.18 0.00 0.01 0.00 0.00 42.46 37.86 1r7s s ILE 32 CO 0.15 -1.41 1.54 -1.22 0.00 0.00 0.00 174.94 174.01 1r7s n TYR 33 N 5.31 0.50 1.84 3.97 4.01 -1.26 -2.09 117.16 129.43 1r7s n TYR 33 Ca 0.26 0.22 0.15 0.00 -0.16 0.00 0.00 57.90 58.37 1r7s n TYR 33 Cb 0.46 -0.86 0.84 0.00 -0.31 0.00 0.00 39.34 39.47 1r7s n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1r7s n ASP 34 N -1.98 0.31 -4.24 7.72 5.75 -1.26 -4.35 116.55 118.49 1r7s n ASP 34 Ca 0.01 -1.02 -0.34 0.00 -0.01 0.00 0.00 54.79 53.43 1r7s n ASP 34 Cb 0.13 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.06 2.95 -0.20 2.12 1.01 -0.89 -4.76 121.20 119.37 1r7s s ILE 35 Ca 0.44 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1r7s s ILE 35 Cb 0.22 -2.34 -0.20 0.00 0.01 0.00 0.00 42.46 40.15 1r7s s ILE 35 CO 0.37 0.42 0.16 0.52 0.00 0.00 0.00 174.94 176.42 1r7s n VAL 36 N 4.73 1.59 -3.17 2.92 0.31 -0.38 -4.72 118.33 119.60 1r7s n VAL 36 Ca -0.19 -0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 63.71 1r7s n VAL 36 Cb 0.50 -1.94 0.05 0.00 -0.91 0.00 0.00 33.84 31.54 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 1.56 -0.39 0.28 2.92 0.00 -0.80 -4.92 105.19 103.83 1r7s n GLY 37 Ca -0.35 0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.75 0.20 0.40 1.61 1.82 -1.95 -0.91 116.42 115.84 1r7s h ASP 38 Ca -0.49 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1r7s h ASP 38 Cb 1.33 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1r7s h ASP 38 CO 0.51 0.04 0.00 0.00 -1.61 0.00 0.00 179.24 178.18 1r7s n GLY 40 N 0.96 0.74 0.31 0.00 0.00 -0.35 -4.27 105.19 102.58 1r7s n GLY 40 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.37 1.67 1.28 -0.02 0.00 -1.26 -5.00 105.19 99.48 1r7s n GLY 41 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.31 4.46 -3.66 1.61 3.41 -1.26 -4.88 113.62 113.61 1r7s n SER 42 Ca 0.00 -2.75 -0.21 0.00 -0.26 0.00 0.00 58.87 55.64 1r7s n SER 42 Cb 0.07 -0.55 0.04 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.94 -0.30 7.33 0.00 -1.26 -4.92 120.51 119.69 1r7s n ALA 43 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1r7s n ALA 43 Cb 0.92 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -3.05 1.24 0.00 0.00 7.64 -1.26 -4.75 113.62 113.43 1r7s n SER 44 Ca -0.26 -1.53 0.00 0.00 1.01 0.00 0.00 58.87 58.08 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 0.00 -0.32 -0.97 0.00 0.00 -1.26 -4.88 120.51 113.07 1r7s n ALA 46 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.74 1r7s n ALA 46 Cb 0.00 -1.94 0.37 0.00 0.00 0.00 0.00 19.45 17.87 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 -2.64 2.87 -1.79 0.00 -2.24 -1.26 -4.02 114.28 105.20 1r7s n THR 47 Ca -0.20 -1.51 0.06 0.00 -2.27 0.00 0.00 64.05 60.13 1r7s n THR 47 Cb 0.63 -0.32 0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.36 2.56 0.16 0.00 5.04 -1.26 -0.83 115.29 118.61 1r7s s HIS 49 Ca 0.36 0.31 -0.01 0.00 -1.54 0.00 0.00 55.06 54.17 1r7s s HIS 49 Cb 0.36 -4.03 -0.04 0.00 0.04 0.00 0.00 32.58 28.91 1r7s s HIS 49 CO -0.09 -4.08 0.09 0.14 -2.34 0.00 0.00 174.74 168.47 1r7s s VAL 50 N 2.13 0.06 -0.27 0.89 -7.23 -0.30 -4.29 120.40 111.40 1r7s s VAL 50 Ca 0.75 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1r7s s VAL 50 Cb -0.44 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1r7s s VAL 50 CO 0.33 -0.27 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.53 1r7s s TYR 51 N -4.09 3.11 -0.01 2.82 2.02 0.02 -0.97 117.35 120.25 1r7s s TYR 51 Ca 0.30 -1.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.30 1r7s s TYR 51 Cb 0.07 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1r7s s TYR 51 CO 0.06 -0.69 1.22 0.08 -1.57 0.00 0.00 175.55 174.65 1r7s s VAL 52 N 1.37 4.13 0.38 0.71 1.01 -0.00 -0.67 120.40 127.34 1r7s s VAL 52 Ca 0.00 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.22 1r7s s VAL 52 Cb -0.17 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1r7s s VAL 52 CO -0.02 0.04 1.14 -3.20 0.00 0.00 0.00 175.10 173.06 1r7s n ASN 53 N 4.80 1.92 -0.28 3.32 2.85 -0.35 -4.66 115.26 122.85 1r7s n ASN 53 Ca 0.10 1.11 0.29 0.00 -0.11 0.00 0.00 54.58 55.97 1r7s n ASN 53 Cb 0.46 -1.41 0.65 0.00 1.24 0.00 0.00 39.78 40.72 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 1.96 0.15 0.00 1.20 -0.00 -1.93 -0.25 114.58 115.72 1r7s h GLU 54 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1r7s h GLU 54 Cb 1.32 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 1r7s h GLU 54 CO 0.59 0.10 0.00 0.00 -0.00 0.00 0.00 179.01 179.70 1r7s n ALA 55 N -2.64 2.11 -0.20 1.06 0.00 -1.26 -3.46 120.51 116.12 1r7s n ALA 55 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1r7s n ALA 55 Cb 1.02 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.28 0.00 -0.19 0.00 3.72 -0.13 -4.79 117.46 114.79 1r7s n PHE 56 Ca 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.49 1r7s n PHE 56 Cb 0.17 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1r7s n PHE 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r7s h THR 57 N 0.20 0.46 -0.62 4.37 1.03 -1.53 -0.27 112.91 116.55 1r7s h THR 57 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1r7s h THR 57 Cb 0.10 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.60 1r7s h THR 57 CO 0.00 0.01 0.00 -0.90 -0.01 0.00 0.00 175.52 174.62 1r7s n ASP 58 N -5.36 5.07 -0.78 0.00 3.85 -1.26 -3.96 116.55 114.11 1r7s n ASP 58 Ca 0.07 -2.60 0.13 0.00 -0.71 0.00 0.00 54.79 51.67 1r7s n ASP 58 Cb 0.31 -0.62 0.26 0.00 -1.35 0.00 0.00 41.12 39.72 1r7s n ASP 58 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1r7s n LYS 59 N 0.97 2.07 -4.42 0.11 4.76 -0.11 -4.92 118.16 116.61 1r7s n LYS 59 Ca 0.26 -1.56 -0.25 0.00 -2.87 0.00 0.00 58.31 53.89 1r7s n LYS 59 Cb 0.99 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.60 1r7s n LYS 59 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1r7s s VAL 60 N -2.01 2.30 0.43 -0.18 -7.23 -1.22 -4.97 120.40 107.53 1r7s s VAL 60 Ca 0.32 -2.15 -0.26 0.00 -1.81 0.00 0.00 61.98 58.07 1r7s s VAL 60 Cb 0.20 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 1r7s s VAL 60 CO 0.32 -0.26 1.45 -2.84 -0.31 0.00 0.00 175.10 173.46 1r7s s PRO 61 N -3.01 3.83 0.74 4.82 0.02 -1.26 -4.96 135.00 135.18 1r7s s PRO 61 Ca 0.23 2.49 -0.15 0.00 0.02 0.00 0.00 61.00 63.59 1r7s s PRO 61 Cb -0.06 -2.76 0.04 0.00 0.02 0.00 0.00 34.50 31.73 1r7s s PRO 61 CO 0.11 -0.73 1.16 0.00 -0.33 0.00 0.00 177.00 177.21 1r7s n ALA 62 N 0.03 0.21 -2.13 -1.55 0.00 -1.26 -4.95 120.51 110.85 1r7s n ALA 62 Ca 0.04 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1r7s n ALA 62 Cb 0.41 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.84 3.56 0.91 0.00 0.00 -1.26 -5.02 121.76 118.10 1r7s s ALA 63 Ca 0.76 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 53.69 1r7s s ALA 63 Cb -0.33 -3.52 0.17 0.00 0.00 0.00 0.00 23.12 19.44 1r7s s ALA 63 CO 0.48 -0.59 1.26 0.54 0.00 0.00 0.00 175.76 177.45 1r7s s ASN 64 N 0.89 3.53 0.42 0.00 2.20 -1.26 -4.81 114.94 115.91 1r7s s ASN 64 Ca 0.62 0.33 0.11 0.00 -0.94 0.00 0.00 52.86 52.98 1r7s s ASN 64 Cb -0.36 -0.50 0.91 0.00 -2.00 0.00 0.00 41.25 39.29 1r7s s ASN 64 CO 0.32 -2.47 1.98 -0.33 -2.94 0.00 0.00 177.10 173.66 1r7s h GLU 65 N -1.41 0.18 -0.49 3.55 5.08 -1.99 -1.47 114.58 118.03 1r7s h GLU 65 Ca -0.44 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 1r7s h GLU 65 Cb 1.26 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1r7s h GLU 65 CO 0.44 0.28 0.07 -0.09 -1.00 0.00 0.00 179.01 178.71 1r7s h ARG 66 N 0.18 0.83 -0.33 2.33 2.43 -1.95 -1.17 114.38 116.70 1r7s h ARG 66 Ca 0.04 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1r7s h ARG 66 Cb 0.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1r7s h ARG 66 CO 0.01 0.83 0.03 1.49 -1.51 0.00 0.00 179.97 180.83 1r7s h GLU 67 N 0.70 0.55 -0.80 0.20 4.81 -1.73 -2.48 114.58 115.84 1r7s h GLU 67 Ca 0.15 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1r7s h GLU 67 Cb 0.42 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 1r7s h GLU 67 CO 0.01 0.66 0.47 0.82 -0.73 0.00 0.00 179.01 180.24 1r7s h ILE 68 N 0.37 0.96 -0.20 2.32 1.08 -1.11 0.12 117.51 121.06 1r7s h ILE 68 Ca 0.10 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 1r7s h ILE 68 Cb 0.39 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1r7s h ILE 68 CO 0.01 0.15 -0.04 1.23 -0.69 0.00 0.00 178.15 178.81 1r7s h GLY 69 N 0.82 0.32 1.36 5.37 0.00 -0.97 -2.38 103.07 107.59 1r7s h GLY 69 Ca 0.37 -0.18 -0.32 0.00 0.00 0.00 0.00 47.33 47.20 1r7s h GLY 69 CO -0.21 0.17 -1.40 -0.33 0.00 0.00 0.00 176.54 174.77 1r7s h MET 70 N 0.29 0.49 -0.12 4.80 2.86 -0.78 -3.25 114.93 119.22 1r7s h MET 70 Ca 0.07 -0.80 0.04 0.00 -2.06 0.00 0.00 59.70 56.94 1r7s h MET 70 Cb 0.27 0.30 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1r7s h MET 70 CO 0.01 1.38 0.10 -0.07 1.06 0.00 0.00 176.91 179.39 1r7s h LEU 71 N 0.15 0.00 -2.06 1.22 3.38 -0.51 0.80 115.31 118.29 1r7s h LEU 71 Ca -0.22 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1r7s h LEU 71 Cb 2.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.84 1r7s h LEU 71 CO 0.26 0.00 0.03 -0.08 0.09 0.00 0.00 178.44 178.73 1r7s h GLU 72 N 0.00 0.00 -0.64 1.13 4.81 -1.47 -2.23 114.58 116.18 1r7s h GLU 72 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1r7s h GLU 72 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1r7s h GLU 72 CO -0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1r7s n GLY 73 N -1.52 2.24 3.72 1.92 0.00 0.27 -4.99 105.19 106.83 1r7s n GLY 73 Ca -0.02 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 1.09 3.40 0.05 1.61 0.24 -0.84 -4.94 118.33 118.95 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 0.71 -1.59 -0.08 0.00 -1.47 0.00 0.00 33.84 31.41 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 1.56 0.93 -3.20 3.34 1.35 -1.85 -3.46 112.91 111.58 1r7s h THR 75 Ca -0.50 -2.52 -0.46 0.00 -0.55 0.00 0.00 66.41 62.39 1r7s h THR 75 Cb 1.31 2.39 0.12 0.00 -1.73 0.00 0.00 68.15 70.24 1r7s h THR 75 CO 0.57 0.53 0.27 0.00 -0.25 0.00 0.00 175.52 176.64 1r7s s ALA 76 N -2.82 2.97 0.17 6.62 0.00 -1.26 -4.99 121.76 122.45 1r7s s ALA 76 Ca -0.01 -1.39 -0.31 0.00 0.00 0.00 0.00 51.96 50.25 1r7s s ALA 76 Cb 0.09 -2.43 -0.11 0.00 0.00 0.00 0.00 23.12 20.67 1r7s s ALA 76 CO 0.80 -1.88 1.79 -2.00 0.00 0.00 0.00 175.76 174.46 1r7s s GLU 77 N -5.50 4.13 -0.02 0.00 2.12 -1.26 -4.96 118.70 113.21 1r7s s GLU 77 Ca 0.69 2.61 -0.30 0.00 0.36 0.00 0.00 54.97 58.34 1r7s s GLU 77 Cb -0.05 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1r7s s GLU 77 CO 0.48 -0.81 0.97 -1.17 -0.54 0.00 0.00 175.26 174.20 1r7s s LEU 78 N 2.00 4.34 0.30 2.70 2.96 -1.26 -5.02 118.68 124.70 1r7s s LEU 78 Ca 0.78 1.61 0.08 0.00 -0.22 0.00 0.00 54.13 56.38 1r7s s LEU 78 Cb -0.48 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.61 1r7s s LEU 78 CO 0.34 -0.29 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.46 1r7s s LYS 79 N 1.20 1.63 0.60 1.98 1.02 -1.26 -5.01 119.74 119.89 1r7s s LYS 79 Ca 0.51 -1.82 0.30 0.00 0.02 0.00 0.00 55.97 54.97 1r7s s LYS 79 Cb -0.20 -1.37 1.73 0.00 -0.52 0.00 0.00 37.83 37.46 1r7s s LYS 79 CO 0.26 0.10 2.13 -1.00 -0.92 0.00 0.00 175.35 175.92 1r7s h PRO 80 N 2.21 0.00 -0.53 -1.68 0.13 -2.02 -0.05 132.00 130.06 1r7s h PRO 80 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1r7s h PRO 80 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1r7s h PRO 80 CO 0.67 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.71 1r7s n ASN 81 N -3.74 4.71 -4.76 1.44 6.94 -1.26 -4.99 115.26 113.61 1r7s n ASN 81 Ca 0.00 -2.64 -0.41 0.00 -0.02 0.00 0.00 54.58 51.51 1r7s n ASN 81 Cb 0.27 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 37.09 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 -1.08 6.95 0.12 0.53 0.01 -0.04 -0.82 113.70 119.37 1r7s s SER 82 Ca 0.48 2.49 -0.08 0.00 1.31 0.00 0.00 55.95 60.15 1r7s s SER 82 Cb 0.34 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1r7s s SER 82 CO 0.19 -0.42 0.22 -0.13 0.41 0.00 0.00 173.24 173.51 1r7s s ARG 83 N -1.24 0.99 -0.35 12.44 1.81 -0.14 -4.92 118.95 127.54 1r7s s ARG 83 Ca 0.50 -1.09 -0.17 0.00 -1.72 0.00 0.00 55.73 53.25 1r7s s ARG 83 Cb -0.37 0.35 -0.01 0.00 -0.45 0.00 0.00 34.95 34.48 1r7s s ARG 83 CO 0.45 -0.33 0.43 -0.51 -0.68 0.00 0.00 175.30 174.66 1r7s s LEU 84 N -2.92 4.41 0.00 2.53 1.43 -1.26 -1.15 118.68 121.71 1r7s s LEU 84 Ca 0.12 -0.15 0.19 0.00 -1.03 0.00 0.00 54.13 53.26 1r7s s LEU 84 Cb 0.04 -2.45 1.11 0.00 0.03 0.00 0.00 46.19 44.92 1r7s s LEU 84 CO -0.05 -0.41 1.55 0.00 0.23 0.00 0.00 176.35 177.67 1r7s n GLN 87 N -1.90 1.50 -3.58 0.00 1.13 -0.15 -4.76 117.38 109.63 1r7s n GLN 87 Ca 0.06 -1.02 -0.41 0.00 -1.94 0.00 0.00 57.00 53.69 1r7s n GLN 87 Cb 0.36 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 29.12 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 -2.20 4.69 -0.19 5.09 1.01 -1.08 -4.94 121.20 123.57 1r7s s ILE 88 Ca 0.30 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1r7s s ILE 88 Cb 0.20 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1r7s s ILE 88 CO 0.41 -0.23 0.29 -0.63 0.00 0.00 0.00 174.94 174.78 1r7s s ILE 89 N 1.58 5.29 0.39 2.92 -1.09 -1.26 -1.21 121.20 127.81 1r7s s ILE 89 Ca 0.03 0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 58.69 1r7s s ILE 89 Cb -0.19 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1r7s s ILE 89 CO 0.07 0.33 1.31 -0.32 -1.23 0.00 0.00 174.94 175.11 1r7s s MET 90 N 0.88 4.02 0.07 2.79 1.75 -0.15 -4.83 119.30 123.84 1r7s s MET 90 Ca 0.15 2.18 0.01 0.00 -1.25 0.00 0.00 55.69 56.78 1r7s s MET 90 Cb -0.14 -2.81 -0.04 0.00 2.84 0.00 0.00 34.83 34.69 1r7s s MET 90 CO 0.05 -0.45 -0.05 0.95 -0.65 0.00 0.00 175.02 174.87 1r7s s THR 91 N -1.24 0.46 0.32 10.11 -4.23 -1.26 -1.33 115.64 118.47 1r7s s THR 91 Ca 0.56 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1r7s s THR 91 Cb -0.39 -1.48 0.28 0.00 1.34 0.00 0.00 72.50 72.26 1r7s s THR 91 CO 0.50 -0.88 1.94 -0.65 -0.54 0.00 0.00 174.62 174.99 1r7s h PRO 92 N 3.22 0.92 0.00 3.99 0.11 -1.96 0.72 132.00 139.00 1r7s h PRO 92 Ca -0.35 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1r7s h PRO 92 Cb 1.16 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1r7s h PRO 92 CO 0.63 0.61 -0.02 0.93 -0.21 0.00 0.00 178.00 179.94 1r7s h GLU 93 N 0.95 0.00 -0.53 1.05 3.07 -2.01 -1.35 114.58 115.76 1r7s h GLU 93 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1r7s h GLU 93 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1r7s h GLU 93 CO -0.12 0.02 0.00 1.28 -1.40 0.00 0.00 179.01 178.79 1r7s n LEU 94 N -3.30 2.97 -4.68 1.33 4.77 0.24 -4.97 117.00 113.36 1r7s n LEU 94 Ca -0.02 -1.46 -0.56 0.00 -0.03 0.00 0.00 56.01 53.94 1r7s n LEU 94 Cb 0.12 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1r7s n LEU 94 CO 0.24 0.73 1.24 -0.67 -1.33 0.00 0.00 177.39 177.60 1r7s n ASP 95 N 1.13 2.29 0.00 -1.43 -0.08 -0.51 -1.08 116.55 116.86 1r7s n ASP 95 Ca 0.19 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1r7s n ASP 95 Cb 0.48 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.77 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 3.83 0.27 3.62 0.27 0.00 0.16 -4.91 105.19 108.42 1r7s n GLY 96 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 2.25 -5.10 -0.61 3.06 -0.24 -4.70 119.36 112.02 1r7s n ILE 97 Ca 0.00 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.46 1r7s n ILE 97 Cb 0.00 -1.18 -0.16 0.00 0.54 0.00 0.00 39.64 38.84 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 -1.20 1.80 0.04 9.51 1.01 -1.26 -1.28 120.40 129.02 1r7s s VAL 98 Ca 0.61 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1r7s s VAL 98 Cb -0.59 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1r7s s VAL 98 CO 0.58 0.51 -0.14 0.68 0.00 0.00 0.00 175.10 176.74 1r7s s VAL 99 N -0.11 1.08 -0.10 2.92 -7.23 -0.16 -1.21 120.40 115.58 1r7s s VAL 99 Ca -0.03 -0.97 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1r7s s VAL 99 Cb -0.13 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 1r7s s VAL 99 CO 0.03 0.01 0.03 -1.81 -0.31 0.00 0.00 175.10 173.05 1r7s s ASP 100 N -1.09 5.50 -0.16 4.85 1.11 0.16 -0.58 116.67 126.45 1r7s s ASP 100 Ca 0.01 0.21 -0.07 0.00 0.18 0.00 0.00 52.55 52.89 1r7s s ASP 100 Cb -0.08 -1.63 -0.04 0.00 1.07 0.00 0.00 42.92 42.24 1r7s s ASP 100 CO 0.01 0.37 0.07 -0.69 1.18 0.00 0.00 175.17 176.11 1r7s s VAL 101 N -0.85 4.87 1.10 -1.27 1.01 0.24 -0.80 120.40 124.70 1r7s s VAL 101 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1r7s s VAL 101 Cb -0.12 -3.17 0.24 0.00 0.00 0.00 0.00 36.38 33.34 1r7s s VAL 101 CO 0.03 0.50 1.08 -2.16 0.00 0.00 0.00 175.10 174.55 1r7s s PRO 102 N 0.01 -0.42 0.00 2.72 0.04 -1.26 -2.27 135.00 133.82 1r7s s PRO 102 Ca 0.06 0.33 0.26 0.00 0.04 0.00 0.00 61.00 61.69 1r7s s PRO 102 Cb -0.12 -1.66 1.26 0.00 0.04 0.00 0.00 34.50 34.03 1r7s s PRO 102 CO 0.01 -3.26 1.88 -0.40 0.04 0.00 0.00 177.00 175.27 1r7s n ASP 103 N -4.51 0.00 -3.66 6.66 5.75 -1.26 -4.57 116.55 114.96 1r7s n ASP 103 Ca 0.07 0.09 -0.13 0.00 -0.01 0.00 0.00 54.79 54.82 1r7s n ASP 103 Cb 0.58 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 1r7s n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r7s s ARG 104 N -2.71 0.92 0.00 0.11 1.70 -1.26 -5.03 118.95 112.67 1r7s s ARG 104 Ca 0.21 -0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1r7s s ARG 104 Cb 0.17 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1r7s s ARG 104 CO 0.42 -0.31 0.00 1.04 -1.08 0.00 0.00 175.30 175.37 1r7s n GLN 105 N 0.56 3.04 0.00 3.89 1.13 -1.26 -4.31 117.38 120.42 1r7s n GLN 105 Ca -0.19 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.01 1r7s n GLN 105 Cb 0.59 -0.92 0.35 0.00 0.11 0.00 0.00 30.24 30.38 1r7s n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53