#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s s SER 2 N 0.00 2.78 0.09 1.61 0.01 -1.26 -5.12 113.70 111.80 1x5s s SER 2 Ca 0.00 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.58 1x5s s SER 2 Cb 0.00 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.00 1x5s s SER 2 CO 0.00 0.11 0.43 -0.44 0.41 0.00 0.00 173.24 173.75 1x5s s SER 3 N 0.51 -0.29 0.00 2.44 0.01 -1.26 -5.18 113.70 109.94 1x5s s SER 3 Ca -0.16 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1x5s s SER 3 Cb -0.17 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x5s s SER 3 CO 0.06 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x5s n GLY 4 N 0.13 1.71 3.56 3.44 0.00 -1.26 -5.07 105.19 107.69 1x5s n GLY 4 Ca -0.17 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1x5s n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5s s SER 5 N 0.00 5.79 0.05 1.61 1.04 -1.26 -4.82 113.70 116.11 1x5s s SER 5 Ca 0.00 -0.95 -0.25 0.00 0.48 0.00 0.00 55.95 55.23 1x5s s SER 5 Cb 0.00 -2.56 -0.17 0.00 0.10 0.00 0.00 66.02 63.39 1x5s s SER 5 CO 0.00 -2.14 1.53 -1.28 0.98 0.00 0.00 173.24 172.33 1x5s h SER 6 N 10.78 -0.16 0.00 7.02 0.87 -2.06 -3.49 113.55 126.51 1x5s h SER 6 Ca 0.10 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1x5s h SER 6 Cb 1.02 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1x5s h SER 6 CO 1.31 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.26 1x5s n GLY 7 N -0.71 0.95 3.82 5.77 0.00 -1.26 -5.09 105.19 108.68 1x5s n GLY 7 Ca -0.09 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1x5s n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x5s s MET 8 N 0.00 4.23 0.40 1.61 0.00 -1.26 -5.02 119.30 119.25 1x5s s MET 8 Ca 0.00 0.93 -0.27 0.00 0.00 0.00 0.00 55.69 56.36 1x5s s MET 8 Cb 0.00 -2.58 -0.09 0.00 0.00 0.00 0.00 34.83 32.16 1x5s s MET 8 CO 0.00 0.21 1.37 0.00 0.00 0.00 0.00 175.02 176.60 1x5s s ALA 9 N -1.82 3.35 -0.18 3.16 0.00 -1.26 -5.02 121.76 119.98 1x5s s ALA 9 Ca 0.52 1.36 -0.07 0.00 0.00 0.00 0.00 51.96 53.76 1x5s s ALA 9 Cb -0.13 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.53 1x5s s ALA 9 CO 0.19 -0.93 0.40 -1.12 0.00 0.00 0.00 175.76 174.30 1x5s s SER 10 N -0.54 -0.26 -0.14 0.00 0.01 -1.26 -5.16 113.70 106.36 1x5s s SER 10 Ca 0.56 0.93 -0.29 0.00 1.31 0.00 0.00 55.95 58.46 1x5s s SER 10 Cb -0.41 1.15 0.08 0.00 0.21 0.00 0.00 66.02 67.05 1x5s s SER 10 CO 0.54 -0.22 0.77 -0.62 0.41 0.00 0.00 173.24 174.12 1x5s s ASP 11 N 2.31 -0.62 0.00 2.44 2.15 -1.26 -4.90 116.67 116.79 1x5s s ASP 11 Ca -0.03 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1x5s s ASP 11 Cb -0.11 0.76 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 1x5s s ASP 11 CO -0.12 -0.44 0.00 -1.84 -0.17 0.00 0.00 175.17 172.60 1x5s n GLU 12 N 1.44 3.25 0.00 4.34 -0.00 -1.26 -5.01 120.64 123.40 1x5s n GLU 12 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1x5s n GLU 12 Cb 0.57 -0.97 0.00 0.00 -0.00 0.00 0.00 31.44 31.03 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x5s n GLY 13 N 2.95 1.33 3.74 -1.84 0.00 -1.26 -4.53 105.19 105.58 1x5s n GLY 13 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1x5s n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5s s LYS 14 N 0.00 4.53 0.13 1.61 2.20 -1.26 -2.91 119.74 124.04 1x5s s LYS 14 Ca 0.00 1.14 0.09 0.00 -0.36 0.00 0.00 55.97 56.84 1x5s s LYS 14 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1x5s s LYS 14 CO 0.00 0.25 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.59 1x5s s LEU 15 N 0.02 2.83 -0.38 5.43 1.43 -1.26 -0.59 118.68 126.16 1x5s s LEU 15 Ca 0.41 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 1x5s s LEU 15 Cb -0.21 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1x5s s LEU 15 CO 0.24 0.16 0.27 0.12 0.23 0.00 0.00 176.35 177.37 1x5s s PHE 16 N -1.29 3.23 -0.15 0.29 5.36 0.53 -3.97 117.98 121.98 1x5s s PHE 16 Ca 0.20 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 1x5s s PHE 16 Cb -0.10 -2.53 -0.01 0.00 -0.34 0.00 0.00 43.02 40.04 1x5s s PHE 16 CO 0.12 -0.51 -0.14 0.08 -1.46 0.00 0.00 175.22 173.30 1x5s s VAL 17 N 1.68 2.84 0.25 3.12 1.01 -1.17 -2.98 120.40 125.15 1x5s s VAL 17 Ca 0.05 -0.72 0.12 0.00 0.00 0.00 0.00 61.98 61.43 1x5s s VAL 17 Cb -0.18 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1x5s s VAL 17 CO 0.10 0.52 -0.19 -0.83 0.00 0.00 0.00 175.10 174.69 1x5s s GLY 18 N 0.64 1.82 -0.16 4.51 0.00 -1.23 -2.35 107.32 110.55 1x5s s GLY 18 Ca -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.85 1x5s s GLY 18 CO 0.03 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.87 1x5s n GLY 19 N -0.39 0.52 3.67 0.20 0.00 0.20 -3.03 105.19 106.36 1x5s n GLY 19 Ca -0.07 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 45.01 1x5s n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5s n LEU 20 N -0.17 3.84 -4.51 0.99 4.77 0.24 -4.57 117.00 117.58 1x5s n LEU 20 Ca -0.02 0.95 -0.46 0.00 -0.03 0.00 0.00 56.01 56.46 1x5s n LEU 20 Cb 0.08 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.68 1x5s n LEU 20 CO 0.02 0.08 0.35 -1.20 -1.33 0.00 0.00 177.39 175.31 1x5s n SER 21 N 6.66 0.29 -0.30 -1.43 7.64 -1.26 -4.28 113.62 120.94 1x5s n SER 21 Ca 0.20 1.16 0.13 0.00 1.01 0.00 0.00 58.87 61.38 1x5s n SER 21 Cb 0.35 -1.15 0.37 0.00 -1.01 0.00 0.00 64.21 62.78 1x5s n SER 21 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1x5s h PHE 22 N 1.65 0.88 0.00 1.43 -5.15 -1.89 0.45 116.94 114.30 1x5s h PHE 22 Ca -0.35 0.03 -0.01 0.00 -0.20 0.00 0.00 57.97 57.43 1x5s h PHE 22 Cb 1.38 -0.27 -0.00 0.00 0.22 0.00 0.00 35.95 37.28 1x5s h PHE 22 CO 0.46 0.26 -0.06 0.22 -2.00 0.00 0.00 178.31 177.19 1x5s h ASP 23 N 0.69 0.00 -2.50 -0.68 1.82 -1.94 -3.42 116.42 110.39 1x5s h ASP 23 Ca 0.50 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.61 1x5s h ASP 23 Cb 0.86 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.81 1x5s h ASP 23 CO -0.26 0.06 1.16 -0.89 -1.61 0.00 0.00 179.24 177.69 1x5s s THR 24 N -3.50 3.66 0.49 2.25 2.01 0.16 -4.88 115.64 115.82 1x5s s THR 24 Ca 0.03 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.59 1x5s s THR 24 Cb 0.08 -4.42 0.02 0.00 0.01 0.00 0.00 72.50 68.18 1x5s s THR 24 CO 0.60 -1.27 0.45 0.54 -0.69 0.00 0.00 174.62 174.26 1x5s s ASN 25 N 5.17 4.91 0.45 3.53 4.22 -1.26 -4.73 114.94 127.23 1x5s s ASN 25 Ca 0.52 -0.94 0.32 0.00 -2.14 0.00 0.00 52.86 50.62 1x5s s ASN 25 Cb -0.11 -0.08 1.46 0.00 1.28 0.00 0.00 41.25 43.80 1x5s s ASN 25 CO 0.22 -0.92 1.62 -0.33 -2.04 0.00 0.00 177.10 175.64 1x5s h GLU 26 N 0.79 0.07 0.40 3.55 5.08 -1.94 -0.14 114.58 122.40 1x5s h GLU 26 Ca -0.38 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1x5s h GLU 26 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1x5s h GLU 26 CO 0.55 0.04 -0.19 0.37 -1.00 0.00 0.00 179.01 178.78 1x5s h GLN 27 N 0.07 -0.52 -0.51 2.33 5.75 -1.95 -3.17 115.11 117.10 1x5s h GLN 27 Ca 0.83 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 59.43 1x5s h GLN 27 Cb 2.68 0.12 -0.09 0.00 1.07 0.00 0.00 27.48 31.26 1x5s h GLN 27 CO -0.39 -0.35 -0.56 0.77 -2.65 0.00 0.00 178.83 175.65 1x5s h SER 28 N -0.83 -1.90 -0.88 -0.69 0.02 -1.40 0.20 113.55 108.06 1x5s h SER 28 Ca -0.06 0.26 0.21 0.00 -0.84 0.00 0.00 61.79 61.36 1x5s h SER 28 Cb 0.42 0.79 -0.17 0.00 0.14 0.00 0.00 62.40 63.58 1x5s h SER 28 CO 0.09 -0.38 -0.11 0.18 -1.14 0.00 0.00 176.83 175.47 1x5s n LEU 29 N -5.36 -0.22 0.17 5.07 4.77 -0.64 0.43 117.00 121.23 1x5s n LEU 29 Ca -0.02 1.51 -0.14 0.00 -0.03 0.00 0.00 56.01 57.33 1x5s n LEU 29 Cb 0.33 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1x5s n LEU 29 CO -0.02 -1.49 0.77 -0.08 -1.33 0.00 0.00 177.39 175.24 1x5s h GLU 30 N 0.00 -0.38 -1.31 3.23 4.81 -0.94 0.28 114.58 120.26 1x5s h GLU 30 Ca 0.48 0.03 0.38 0.00 -0.13 0.00 0.00 59.36 60.11 1x5s h GLU 30 Cb 0.86 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.25 1x5s h GLU 30 CO -0.88 -0.26 0.91 1.96 -0.73 0.00 0.00 179.01 180.02 1x5s h GLN 31 N -0.40 0.09 0.00 1.92 4.20 0.50 0.61 115.11 122.03 1x5s h GLN 31 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x5s h GLN 31 Cb 0.33 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1x5s h GLN 31 CO 0.03 0.06 -0.09 0.28 -0.67 0.00 0.00 178.83 178.44 1x5s h VAL 32 N 0.09 0.00 0.00 -0.54 2.07 -0.77 -3.36 116.25 113.73 1x5s h VAL 32 Ca 0.68 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 68.01 1x5s h VAL 32 Cb 2.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1x5s h VAL 32 CO -0.13 0.00 0.61 -0.26 0.02 0.00 0.00 177.57 177.81 1x5s h PHE 33 N -0.19 0.00 -0.25 1.57 -1.00 -0.25 0.33 116.94 117.15 1x5s h PHE 33 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1x5s h PHE 33 Cb 0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1x5s h PHE 33 CO -0.04 0.00 -0.09 1.03 -1.61 0.00 0.00 178.31 177.60 1x5s h SER 34 N 0.00 0.51 0.64 2.17 0.87 0.05 -2.07 113.55 115.73 1x5s h SER 34 Ca 0.00 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 1x5s h SER 34 Cb 1.23 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1x5s h SER 34 CO 0.00 0.79 -0.22 0.07 -0.53 0.00 0.00 176.83 176.94 1x5s h LYS 35 N 0.23 0.00 -0.03 2.24 2.10 -0.49 -2.89 116.57 117.73 1x5s h LYS 35 Ca 0.06 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.47 1x5s h LYS 35 Cb 0.58 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1x5s h LYS 35 CO 0.03 0.22 -0.95 1.88 -2.00 0.00 0.00 179.45 178.63 1x5s h TYR 36 N 0.00 0.90 0.00 0.07 -1.99 -1.37 -3.49 116.97 111.09 1x5s h TYR 36 Ca -0.00 -0.47 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1x5s h TYR 36 Cb 0.60 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1x5s h TYR 36 CO 0.00 1.29 0.00 0.41 -0.00 0.00 0.00 178.16 179.86 1x5s n GLY 37 N 0.94 1.79 3.73 3.88 0.00 -0.80 -4.74 105.19 110.00 1x5s n GLY 37 Ca -0.09 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1x5s n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5s s GLN 38 N 4.60 2.70 0.15 1.61 -1.52 -1.26 -4.52 119.66 121.43 1x5s s GLN 38 Ca 0.00 -0.77 0.05 0.00 -1.95 0.00 0.00 55.36 52.68 1x5s s GLN 38 Cb 0.00 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.12 1x5s s GLN 38 CO 0.00 0.55 -0.11 0.42 -0.25 0.00 0.00 175.29 175.90 1x5s s ILE 39 N -1.36 1.24 0.00 1.08 1.01 -1.26 -4.50 121.20 117.41 1x5s s ILE 39 Ca 0.27 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 58.88 1x5s s ILE 39 Cb -0.12 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1x5s s ILE 39 CO 0.20 -0.71 0.00 -0.24 0.00 0.00 0.00 174.94 174.19 1x5s n SER 40 N -0.15 0.93 -3.48 3.58 2.88 0.40 -4.42 113.62 113.36 1x5s n SER 40 Ca -0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1x5s n SER 40 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x5s s GLU 41 N -1.76 1.19 -0.09 -1.46 2.12 -0.52 -4.95 118.70 113.24 1x5s s GLU 41 Ca 0.00 -0.35 -0.00 0.00 0.36 0.00 0.00 54.97 54.98 1x5s s GLU 41 Cb 0.00 0.55 0.02 0.00 0.26 0.00 0.00 34.13 34.96 1x5s s GLU 41 CO 0.00 -0.49 -0.05 0.08 -0.54 0.00 0.00 175.26 174.26 1x5s s VAL 42 N -3.18 0.78 -0.19 3.70 1.01 -1.26 0.13 120.40 121.38 1x5s s VAL 42 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1x5s s VAL 42 Cb -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1x5s s VAL 42 CO -0.08 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.53 1x5s s VAL 43 N 1.60 2.76 -0.12 2.92 1.01 0.12 -4.91 120.40 123.78 1x5s s VAL 43 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1x5s s VAL 43 Cb -0.13 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1x5s s VAL 43 CO -0.05 0.48 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 1x5s s VAL 44 N 1.30 2.62 -0.19 2.92 1.01 -1.26 0.64 120.40 127.44 1x5s s VAL 44 Ca 0.04 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1x5s s VAL 44 Cb -0.14 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 1x5s s VAL 44 CO -0.07 0.54 1.12 -0.69 0.00 0.00 0.00 175.10 176.00 1x5s s VAL 45 N 0.37 4.54 0.00 2.92 1.01 -1.11 -5.00 120.40 123.13 1x5s s VAL 45 Ca -0.14 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.74 1x5s s VAL 45 Cb -0.17 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1x5s s VAL 45 CO 0.07 -0.14 -0.14 -0.54 0.00 0.00 0.00 175.10 174.35 1x5s s LYS 46 N 3.15 1.06 1.20 2.72 1.02 -1.26 -2.76 119.74 124.87 1x5s s LYS 46 Ca 0.48 -0.55 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 1x5s s LYS 46 Cb -0.18 -1.03 0.24 0.00 -0.52 0.00 0.00 37.83 36.33 1x5s s LYS 46 CO 0.10 0.28 0.55 -3.47 -0.92 0.00 0.00 175.35 171.89 1x5s n ASP 47 N 2.54 -2.57 0.01 2.83 2.03 -1.26 -4.85 116.55 115.28 1x5s n ASP 47 Ca -0.15 -0.32 0.11 0.00 0.52 0.00 0.00 54.79 54.95 1x5s n ASP 47 Cb 0.55 -1.05 -0.14 0.00 -0.72 0.00 0.00 41.12 39.76 1x5s n ASP 47 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1x5s n ARG 48 N -3.78 0.63 -0.02 -0.67 1.85 -1.26 -3.08 116.66 110.33 1x5s n ARG 48 Ca 0.04 -0.15 -0.01 0.00 -1.00 0.00 0.00 57.85 56.73 1x5s n ARG 48 Cb 0.56 -1.56 -0.00 0.00 -1.05 0.00 0.00 32.46 30.40 1x5s n ARG 48 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1x5s h GLU 49 N 0.00 0.00 0.00 2.89 4.57 -2.02 -3.40 114.58 116.62 1x5s h GLU 49 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1x5s h GLU 49 Cb 0.98 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1x5s h GLU 49 CO 0.00 0.00 -0.57 0.00 -1.18 0.00 0.00 179.01 177.26 1x5s h THR 50 N -0.29 0.96 -6.25 0.32 1.03 -1.99 -3.47 112.91 103.22 1x5s h THR 50 Ca 0.00 -2.36 -0.46 0.00 -0.01 0.00 0.00 66.41 63.58 1x5s h THR 50 Cb 0.08 2.47 -0.01 0.00 -1.07 0.00 0.00 68.15 69.63 1x5s h THR 50 CO 0.00 0.55 -0.81 0.00 -0.01 0.00 0.00 175.52 175.25 1x5s n GLN 51 N -3.24 -4.93 -4.97 0.00 1.13 -1.18 -4.98 117.38 99.22 1x5s n GLN 51 Ca 0.02 0.58 -0.31 0.00 -1.94 0.00 0.00 57.00 55.34 1x5s n GLN 51 Cb 0.76 -5.24 -0.14 0.00 0.11 0.00 0.00 30.24 25.73 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1x5s s ARG 52 N -6.36 2.15 -0.66 -1.09 6.06 -1.26 -4.84 118.95 112.94 1x5s s ARG 52 Ca 0.32 -0.91 -0.33 0.00 -2.50 0.00 0.00 55.73 52.31 1x5s s ARG 52 Cb -0.16 -2.15 -0.16 0.00 0.06 0.00 0.00 34.95 32.54 1x5s s ARG 52 CO 0.83 0.56 2.44 0.45 -2.50 0.00 0.00 175.30 177.09 1x5s n SER 53 N 2.07 1.25 -0.32 -2.12 2.88 -1.26 -4.00 113.62 112.13 1x5s n SER 53 Ca -0.16 0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.64 1x5s n SER 53 Cb 0.52 -1.15 0.35 0.00 -0.75 0.00 0.00 64.21 63.18 1x5s n SER 53 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x5s h ARG 54 N 13.48 0.70 0.00 -1.46 2.47 -1.90 -3.45 114.38 124.23 1x5s h ARG 54 Ca -0.15 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1x5s h ARG 54 Cb 1.32 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1x5s h ARG 54 CO 1.21 0.47 0.00 0.41 0.56 0.00 0.00 179.97 182.62 1x5s n GLY 55 N -1.39 0.85 3.55 0.04 0.00 -1.26 -4.95 105.19 102.02 1x5s n GLY 55 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1x5s n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x5s s PHE 56 N -0.85 -0.38 0.00 1.61 -0.71 -1.26 0.80 117.98 117.19 1x5s s PHE 56 Ca 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.04 1x5s s PHE 56 Cb 0.00 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1x5s s PHE 56 CO 0.00 -0.81 0.00 0.41 -1.34 0.00 0.00 175.22 173.48 1x5s n GLY 57 N -0.36 1.25 3.50 1.99 0.00 -0.99 -2.73 105.19 107.84 1x5s n GLY 57 Ca -0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1x5s n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5s s PHE 58 N -0.01 -0.49 -0.23 1.61 0.40 0.21 -3.05 117.98 116.43 1x5s s PHE 58 Ca 0.00 0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1x5s s PHE 58 Cb 0.00 0.50 0.07 0.00 0.51 0.00 0.00 43.02 44.09 1x5s s PHE 58 CO 0.00 -0.61 0.03 0.08 0.70 0.00 0.00 175.22 175.42 1x5s s VAL 59 N -2.44 0.81 -0.08 -0.44 1.01 -1.25 0.12 120.40 118.13 1x5s s VAL 59 Ca -0.02 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1x5s s VAL 59 Cb -0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1x5s s VAL 59 CO -0.03 -0.28 1.32 -0.89 0.00 0.00 0.00 175.10 175.22 1x5s s THR 60 N 1.71 4.05 0.11 3.92 2.01 0.34 -4.05 115.64 123.73 1x5s s THR 60 Ca 0.00 1.35 -0.06 0.00 0.31 0.00 0.00 61.69 63.29 1x5s s THR 60 Cb -0.17 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1x5s s THR 60 CO -0.11 -0.05 0.36 -0.36 -0.69 0.00 0.00 174.62 173.77 1x5s s PHE 61 N 2.88 3.51 0.13 4.92 0.40 -1.15 0.15 117.98 128.83 1x5s s PHE 61 Ca 0.59 0.60 -0.23 0.00 -0.60 0.00 0.00 56.93 57.30 1x5s s PHE 61 Cb -0.26 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 1x5s s PHE 61 CO 0.22 0.48 1.65 0.93 0.70 0.00 0.00 175.22 179.20 1x5s h GLU 62 N 3.19 -0.24 -6.45 0.44 4.39 -1.79 -3.42 114.58 110.70 1x5s h GLU 62 Ca -0.47 0.02 -0.69 0.00 0.34 0.00 0.00 59.36 58.56 1x5s h GLU 62 Cb 1.18 0.05 -0.23 0.00 -0.10 0.00 0.00 28.75 29.65 1x5s h GLU 62 CO 0.70 -0.16 -0.79 -0.80 -1.16 0.00 0.00 179.01 176.81 1x5s s ASN 63 N -5.02 3.91 0.19 1.42 0.01 -1.26 -5.03 114.94 109.17 1x5s s ASN 63 Ca -0.15 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 51.57 1x5s s ASN 63 Cb 0.11 -0.73 0.22 0.00 0.41 0.00 0.00 41.25 41.26 1x5s s ASN 63 CO 0.67 0.30 1.70 0.40 -1.51 0.00 0.00 177.10 178.66 1x5s h ILE 64 N 4.13 0.64 -0.08 0.60 2.04 -1.81 -2.83 117.51 120.20 1x5s h ILE 64 Ca -0.47 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1x5s h ILE 64 Cb 1.15 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1x5s h ILE 64 CO 0.49 0.03 -0.18 -0.78 0.00 0.00 0.00 178.15 177.71 1x5s h ASP 65 N 0.19 -0.59 -0.96 1.72 3.58 -1.95 -1.90 116.42 116.50 1x5s h ASP 65 Ca 0.27 0.07 0.17 0.00 0.42 0.00 0.00 57.03 57.96 1x5s h ASP 65 Cb 0.40 0.23 -0.17 0.00 1.72 0.00 0.00 39.33 41.52 1x5s h ASP 65 CO -0.39 -0.15 -0.32 0.47 -2.88 0.00 0.00 179.24 175.97 1x5s n ASP 66 N -3.54 -0.50 -0.32 2.28 9.92 -1.09 0.11 116.55 123.41 1x5s n ASP 66 Ca -0.02 1.67 0.17 0.00 -0.53 0.00 0.00 54.79 56.09 1x5s n ASP 66 Cb 0.12 -0.44 0.37 0.00 -0.64 0.00 0.00 41.12 40.53 1x5s n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5s h ALA 67 N 1.59 1.58 -0.04 2.24 0.00 -1.12 0.73 119.26 124.23 1x5s h ALA 67 Ca 0.39 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 55.37 1x5s h ALA 67 Cb 0.63 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1x5s h ALA 67 CO -0.97 -0.48 -0.49 0.87 0.00 0.00 0.00 179.25 178.18 1x5s h LYS 68 N 0.30 0.40 -1.01 0.00 1.57 0.11 0.44 116.57 118.38 1x5s h LYS 68 Ca 0.63 -0.38 0.23 0.00 -1.87 0.00 0.00 60.65 59.25 1x5s h LYS 68 Cb 1.32 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.62 1x5s h LYS 68 CO -0.61 1.04 0.62 0.22 -0.57 0.00 0.00 179.45 180.14 1x5s h ASP 69 N -0.10 0.65 0.64 0.86 1.82 0.75 0.54 116.42 121.59 1x5s h ASP 69 Ca -0.05 0.11 -0.14 0.00 -0.39 0.00 0.00 57.03 56.55 1x5s h ASP 69 Cb 1.18 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 1x5s h ASP 69 CO 0.10 0.16 -1.47 0.00 -1.61 0.00 0.00 179.24 176.43 1x5s n ALA 70 N -2.36 2.07 0.16 -0.78 0.00 -0.44 -3.71 120.51 115.45 1x5s n ALA 70 Ca 0.25 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1x5s n ALA 70 Cb 0.71 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1x5s n ALA 70 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1x5s h MET 71 N 0.00 -0.45 -0.31 0.00 1.85 0.14 -0.50 114.93 115.65 1x5s h MET 71 Ca -0.15 0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 58.87 1x5s h MET 71 Cb 1.49 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.60 1x5s h MET 71 CO 0.03 -0.30 -0.22 0.00 -0.40 0.00 0.00 176.91 176.02 1x5s h MET 72 N -0.47 0.59 0.58 0.39 -0.00 -1.56 0.77 114.93 115.24 1x5s h MET 72 Ca -0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 59.70 59.45 1x5s h MET 72 Cb 0.43 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1x5s h MET 72 CO -0.05 0.77 -0.35 0.00 -0.00 0.00 0.00 176.91 177.28 1x5s h ALA 73 N 1.24 -0.90 0.02 -3.00 0.00 -1.55 -3.11 119.26 111.96 1x5s h ALA 73 Ca 0.08 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1x5s h ALA 73 Cb 0.67 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1x5s h ALA 73 CO 0.05 -1.02 -0.99 0.52 0.00 0.00 0.00 179.25 177.81 1x5s h MET 74 N -0.89 0.08 -4.19 0.00 2.86 -1.10 -3.44 114.93 108.25 1x5s h MET 74 Ca -0.07 -0.12 -0.38 0.00 -2.06 0.00 0.00 59.70 57.08 1x5s h MET 74 Cb 0.72 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.33 1x5s h MET 74 CO 0.08 1.00 1.56 -1.71 1.06 0.00 0.00 176.91 178.89 1x5s n ASN 75 N -3.47 -0.30 -0.49 1.22 2.85 0.27 0.16 115.26 115.49 1x5s n ASN 75 Ca -0.02 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1x5s n ASN 75 Cb 0.91 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5s n GLY 76 N 5.14 0.85 3.82 8.20 0.00 -1.26 -4.80 105.19 117.14 1x5s n GLY 76 Ca 0.56 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1x5s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s s LYS 77 N -3.76 2.28 -0.34 1.61 -0.14 0.42 -5.03 119.74 114.78 1x5s s LYS 77 Ca 0.00 -1.91 0.03 0.00 -1.36 0.00 0.00 55.97 52.73 1x5s s LYS 77 Cb 0.00 -2.04 0.10 0.00 -1.68 0.00 0.00 37.83 34.21 1x5s s LYS 77 CO 0.00 -0.34 0.07 -1.54 -0.76 0.00 0.00 175.35 172.78 1x5s s SER 78 N -4.08 4.59 -0.52 2.83 1.04 -1.26 -3.45 113.70 112.85 1x5s s SER 78 Ca 0.36 -2.07 -0.26 0.00 0.48 0.00 0.00 55.95 54.46 1x5s s SER 78 Cb 0.00 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.70 1x5s s SER 78 CO 0.21 -0.38 1.03 0.54 0.98 0.00 0.00 173.24 175.61 1x5s s VAL 79 N 1.02 4.30 -0.90 5.02 0.11 -1.26 -3.60 120.40 125.10 1x5s s VAL 79 Ca 0.11 0.73 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 1x5s s VAL 79 Cb -0.19 -4.56 0.00 0.00 -1.53 0.00 0.00 36.38 30.10 1x5s s VAL 79 CO -0.12 -1.06 0.00 -0.67 -3.33 0.00 0.00 175.10 169.92 1x5s n ASP 80 N 7.65 -3.54 0.00 3.54 2.03 -1.26 -2.65 116.55 122.32 1x5s n ASP 80 Ca 0.06 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1x5s n ASP 80 Cb 0.48 -2.60 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5s n GLY 81 N -1.18 0.64 2.13 0.27 0.00 -1.24 -5.07 105.19 100.75 1x5s n GLY 81 Ca -0.11 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1x5s n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s n ARG 82 N -2.61 -0.02 -2.08 1.61 5.12 -1.08 -5.05 116.66 112.55 1x5s n ARG 82 Ca 0.00 -1.40 -0.03 0.00 -1.93 0.00 0.00 57.85 54.49 1x5s n ARG 82 Cb 0.00 -0.46 0.06 0.00 -1.16 0.00 0.00 32.46 30.89 1x5s n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x5s n GLN 83 N -2.15 1.65 -1.50 5.56 0.00 -1.26 -4.13 117.38 115.55 1x5s n GLN 83 Ca 0.09 -3.23 -0.31 0.00 0.00 0.00 0.00 57.00 53.55 1x5s n GLN 83 Cb 0.32 -1.34 0.08 0.00 0.00 0.00 0.00 30.24 29.30 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1x5s s ILE 84 N -2.93 3.51 0.31 -0.39 -4.36 -1.22 -4.89 121.20 111.23 1x5s s ILE 84 Ca 0.35 0.49 0.09 0.00 -0.26 0.00 0.00 60.65 61.32 1x5s s ILE 84 Cb 0.36 -3.18 -0.06 0.00 1.25 0.00 0.00 42.46 40.83 1x5s s ILE 84 CO -0.06 -0.64 -0.10 0.00 0.24 0.00 0.00 174.94 174.38 1x5s s ARG 85 N -5.06 1.70 -0.09 0.37 1.70 -1.17 -3.30 118.95 113.11 1x5s s ARG 85 Ca 0.60 -1.85 -0.03 0.00 -0.47 0.00 0.00 55.73 53.97 1x5s s ARG 85 Cb -0.15 -1.52 0.04 0.00 -0.57 0.00 0.00 34.95 32.76 1x5s s ARG 85 CO 0.55 0.14 0.08 0.08 -1.08 0.00 0.00 175.30 175.07 1x5s s VAL 86 N -2.74 -0.12 0.30 4.99 1.01 -1.26 -3.52 120.40 119.07 1x5s s VAL 86 Ca 0.31 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1x5s s VAL 86 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1x5s s VAL 86 CO 0.14 0.03 0.42 -0.62 0.00 0.00 0.00 175.10 175.07 1x5s s ASP 87 N 2.17 0.63 0.18 3.32 2.15 -1.16 -3.77 116.67 120.20 1x5s s ASP 87 Ca 0.04 -1.37 -0.31 0.00 0.43 0.00 0.00 52.55 51.34 1x5s s ASP 87 Cb -0.13 0.60 -0.10 0.00 -0.30 0.00 0.00 42.92 42.99 1x5s s ASP 87 CO -0.05 -1.19 1.52 0.00 -0.17 0.00 0.00 175.17 175.28 1x5s s GLN 88 N -3.44 4.24 -0.27 4.34 -2.07 -1.26 -0.35 119.66 120.84 1x5s s GLN 88 Ca 0.30 2.32 -0.09 0.00 -1.82 0.00 0.00 55.36 56.07 1x5s s GLN 88 Cb 0.01 -3.15 -0.13 0.00 -1.09 0.00 0.00 33.01 28.64 1x5s s GLN 88 CO 0.17 -0.54 -0.32 0.00 -1.32 0.00 0.00 175.29 173.28 1x5s n ALA 89 N 3.51 1.27 0.00 2.60 0.00 0.24 -4.48 120.51 123.65 1x5s n ALA 89 Ca 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1x5s n ALA 89 Cb 0.39 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1x5s n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5s n GLY 90 N 1.54 0.17 3.37 0.00 0.00 -1.14 -4.95 105.19 104.17 1x5s n GLY 90 Ca -0.52 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.24 1x5s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5s s LYS 91 N -1.41 3.11 -0.85 1.61 -2.85 -1.26 -4.64 119.74 113.45 1x5s s LYS 91 Ca 0.00 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 54.00 1x5s s LYS 91 Cb 0.00 -2.52 0.01 0.00 -2.06 0.00 0.00 37.83 33.27 1x5s s LYS 91 CO 0.00 0.31 1.57 -1.12 0.10 0.00 0.00 175.35 176.21 1x5s s SER 92 N 0.08 5.92 -0.51 0.03 0.01 -1.26 -4.89 113.70 113.09 1x5s s SER 92 Ca -0.06 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.52 1x5s s SER 92 Cb -0.15 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.68 1x5s s SER 92 CO 0.05 -2.00 0.35 -0.55 0.41 0.00 0.00 173.24 171.49 1x5s s SER 93 N 5.79 3.29 -0.46 2.44 0.15 -1.26 -4.95 113.70 118.70 1x5s s SER 93 Ca 0.51 -3.13 0.04 0.00 0.70 0.00 0.00 55.95 54.07 1x5s s SER 93 Cb -0.06 -1.01 0.44 0.00 -1.71 0.00 0.00 66.02 63.68 1x5s s SER 93 CO 0.04 -0.18 1.47 0.47 1.20 0.00 0.00 173.24 176.24 1x5s n ASP 94 N 2.86 5.86 -3.83 5.45 9.92 -1.26 -4.98 116.55 130.56 1x5s n ASP 94 Ca 0.19 -3.76 -0.13 0.00 -0.53 0.00 0.00 54.79 50.55 1x5s n ASP 94 Cb 0.39 -0.59 -0.14 0.00 -0.64 0.00 0.00 41.12 40.14 1x5s n ASP 94 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1x5s s ASN 95 N -2.91 -0.01 -0.83 -2.24 2.47 -1.26 -5.10 114.94 105.06 1x5s s ASN 95 Ca 0.54 0.07 -0.14 0.00 0.42 0.00 0.00 52.86 53.75 1x5s s ASN 95 Cb 0.44 0.03 0.21 0.00 -1.45 0.00 0.00 41.25 40.48 1x5s s ASN 95 CO -0.04 -0.05 0.78 -0.60 -3.72 0.00 0.00 177.10 173.47 1x5s s ARG 96 N 0.36 3.59 0.37 0.43 3.52 -1.26 -5.03 118.95 120.92 1x5s s ARG 96 Ca -0.03 -2.40 0.08 0.00 -0.13 0.00 0.00 55.73 53.25 1x5s s ARG 96 Cb -0.04 -4.45 -0.04 0.00 -1.56 0.00 0.00 34.95 28.86 1x5s s ARG 96 CO -0.01 -1.32 0.21 -1.54 -0.81 0.00 0.00 175.30 171.83 1x5s s SER 97 N 2.29 4.78 0.00 -2.12 1.04 -1.26 -5.13 113.70 113.31 1x5s s SER 97 Ca 0.18 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1x5s s SER 97 Cb -0.10 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.33 1x5s s SER 97 CO -0.09 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1x5s n GLY 98 N -1.27 3.41 3.62 7.32 0.00 -1.26 -5.17 105.19 111.84 1x5s n GLY 98 Ca -0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1x5s n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5s s PRO 99 N -1.49 -0.59 0.53 1.61 0.04 -1.26 -5.05 135.00 128.79 1x5s s PRO 99 Ca 0.00 0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.14 1x5s s PRO 99 Cb 0.00 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.87 1x5s s PRO 99 CO 0.00 -3.34 0.85 0.45 0.04 0.00 0.00 177.00 175.00 1x5s s SER 100 N -3.71 6.02 0.21 6.66 0.15 -1.26 -5.09 113.70 116.68 1x5s s SER 100 Ca 0.69 0.90 -0.22 0.00 0.70 0.00 0.00 55.95 58.01 1x5s s SER 100 Cb -0.13 -2.08 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 1x5s s SER 100 CO 0.57 -0.78 0.94 -0.94 1.20 0.00 0.00 173.24 174.22 1x5s s SER 101 N -4.18 -0.10 0.00 5.45 1.04 -1.26 -5.36 113.70 109.28 1x5s s SER 101 Ca 0.50 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1x5s s SER 101 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1x5s s SER 101 CO 0.46 -1.09 0.39 0.61 0.98 0.00 0.00 173.24 174.59