#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 1.83 0.13 1.61 0.15 -1.26 -5.14 113.70 111.02 1x5s s SER 2 Ca 0.00 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 1x5s s SER 2 Cb 0.00 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 1x5s s SER 2 CO 0.00 -0.15 0.34 -0.44 1.20 0.00 0.00 173.24 174.19 1x5s s SER 3 N 1.79 6.46 0.00 5.45 0.01 -1.26 -5.06 113.70 121.09 1x5s s SER 3 Ca 0.04 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1x5s s SER 3 Cb -0.13 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1x5s s SER 3 CO -0.06 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1x5s n GLY 4 N 0.13 0.46 3.46 3.44 0.00 -1.26 -4.78 105.19 106.64 1x5s n GLY 4 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5s s SER 5 N -1.92 6.19 -1.00 1.61 0.15 -1.26 -4.98 113.70 112.49 1x5s s SER 5 Ca 0.00 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.55 1x5s s SER 5 Cb 0.00 -2.41 0.18 0.00 -1.71 0.00 0.00 66.02 62.08 1x5s s SER 5 CO 0.00 -1.38 1.13 -0.94 1.20 0.00 0.00 173.24 173.25 1x5s s SER 6 N 3.55 6.87 0.00 5.45 1.04 -1.26 -4.85 113.70 124.49 1x5s s SER 6 Ca 0.22 -2.64 0.00 0.00 0.48 0.00 0.00 55.95 54.02 1x5s s SER 6 Cb -0.17 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1x5s s SER 6 CO 0.11 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1x5s n GLY 7 N 4.44 1.06 0.08 7.32 0.00 -1.26 -5.07 105.19 111.75 1x5s n GLY 7 Ca 0.25 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 1x5s n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x5s h MET 8 N 0.00 0.00 -6.17 1.61 2.07 -2.06 -3.48 114.93 106.90 1x5s h MET 8 Ca 0.00 0.00 -0.44 0.00 -2.07 0.00 0.00 59.70 57.19 1x5s h MET 8 Cb 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 29.75 1x5s h MET 8 CO 0.00 0.72 -0.79 0.00 1.07 0.00 0.00 176.91 177.90 1x5s n ALA 9 N -2.99 -1.67 -2.42 6.32 0.00 -1.26 -4.90 120.51 113.58 1x5s n ALA 9 Ca -0.15 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1x5s n ALA 9 Cb 0.43 -3.18 0.03 0.00 0.00 0.00 0.00 19.45 16.73 1x5s n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5s n SER 10 N -2.96 3.46 -4.76 0.00 2.88 -1.26 -5.08 113.62 105.89 1x5s n SER 10 Ca -0.14 -3.09 -0.41 0.00 -1.33 0.00 0.00 58.87 53.90 1x5s n SER 10 Cb 0.61 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 1x5s n SER 10 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1x5s s ASP 11 N -3.60 6.95 -0.04 -3.46 1.11 -1.26 -4.92 116.67 111.45 1x5s s ASP 11 Ca 0.40 2.53 0.08 0.00 0.18 0.00 0.00 52.55 55.74 1x5s s ASP 11 Cb 0.39 -2.64 -0.12 0.00 1.07 0.00 0.00 42.92 41.61 1x5s s ASP 11 CO -0.02 -0.40 0.13 -0.62 1.18 0.00 0.00 175.17 175.44 1x5s n GLU 12 N 1.07 1.20 0.00 8.23 -0.58 -1.26 -4.95 120.64 124.34 1x5s n GLU 12 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1x5s n GLU 12 Cb 0.43 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x5s n GLY 13 N 2.19 4.36 3.77 0.62 0.00 -1.26 -4.63 105.19 110.24 1x5s n GLY 13 Ca -0.06 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 4.71 0.10 1.61 2.20 -1.26 -3.68 119.74 123.43 1x5s s LYS 14 Ca 0.00 1.37 0.06 0.00 -0.36 0.00 0.00 55.97 57.04 1x5s s LYS 14 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1x5s s LYS 14 CO 0.00 0.44 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.89 1x5s s LEU 15 N -1.49 3.32 -0.44 5.43 1.43 -1.25 -1.72 118.68 123.96 1x5s s LEU 15 Ca 0.43 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1x5s s LEU 15 Cb -0.23 -2.07 0.09 0.00 0.03 0.00 0.00 46.19 44.02 1x5s s LEU 15 CO 0.28 0.17 0.30 0.12 0.23 0.00 0.00 176.35 177.45 1x5s s PHE 16 N -1.31 3.37 -0.09 0.29 5.36 0.19 -4.22 117.98 121.56 1x5s s PHE 16 Ca 0.24 -1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 54.57 1x5s s PHE 16 Cb -0.11 -3.17 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1x5s s PHE 16 CO 0.17 -0.90 -0.03 0.08 -1.46 0.00 0.00 175.22 173.07 1x5s s VAL 17 N 1.41 3.99 0.12 3.12 1.01 -1.13 -3.20 120.40 125.73 1x5s s VAL 17 Ca 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1x5s s VAL 17 Cb -0.24 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1x5s s VAL 17 CO 0.01 0.58 -0.07 -0.83 0.00 0.00 0.00 175.10 174.80 1x5s s GLY 18 N -0.61 0.89 -0.49 4.51 0.00 -1.22 -2.46 107.32 107.95 1x5s s GLY 18 Ca 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1x5s s GLY 18 CO 0.02 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1x5s n GLY 19 N -0.10 0.20 3.72 0.20 0.00 -0.60 -3.69 105.19 104.93 1x5s n GLY 19 Ca -0.11 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1x5s n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5s s LEU 20 N -1.57 4.39 0.37 0.99 1.43 -0.53 -4.59 118.68 119.17 1x5s s LEU 20 Ca 0.00 2.11 -0.28 0.00 -1.03 0.00 0.00 54.13 54.94 1x5s s LEU 20 Cb 0.00 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1x5s s LEU 20 CO 0.00 -0.46 1.36 -0.44 0.23 0.00 0.00 176.35 177.04 1x5s s SER 21 N 0.79 6.46 0.31 2.29 0.01 -1.26 -4.76 113.70 117.54 1x5s s SER 21 Ca 0.58 2.80 0.04 0.00 1.31 0.00 0.00 55.95 60.67 1x5s s SER 21 Cb -0.31 -2.65 0.81 0.00 0.21 0.00 0.00 66.02 64.08 1x5s s SER 21 CO 0.31 -0.76 1.59 2.19 0.41 0.00 0.00 173.24 176.98 1x5s h PHE 22 N 3.00 0.16 -0.83 2.43 -5.15 -1.98 1.24 116.94 115.82 1x5s h PHE 22 Ca -0.50 0.06 0.09 0.00 -0.20 0.00 0.00 57.97 57.42 1x5s h PHE 22 Cb 1.24 0.09 -0.06 0.00 0.22 0.00 0.00 35.95 37.44 1x5s h PHE 22 CO 0.54 -0.38 0.54 0.38 -2.00 0.00 0.00 178.31 177.39 1x5s h ASP 23 N 0.06 0.74 -1.09 -0.68 3.04 -2.02 -3.41 116.42 113.05 1x5s h ASP 23 Ca 0.61 0.01 -0.68 0.00 -3.24 0.00 0.00 57.03 53.74 1x5s h ASP 23 Cb 1.32 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 39.45 1x5s h ASP 23 CO -0.83 0.45 1.39 0.41 -2.04 0.00 0.00 179.24 178.62 1x5s n THR 24 N -4.51 0.20 -4.55 1.15 -1.04 0.43 -4.91 114.28 101.04 1x5s n THR 24 Ca 0.13 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 1x5s n THR 24 Cb 0.28 -1.59 -0.09 0.00 -1.82 0.00 0.00 70.33 67.11 1x5s n THR 24 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1x5s s ASN 25 N 7.02 4.07 0.47 8.00 -0.87 -1.26 -4.88 114.94 127.49 1x5s s ASN 25 Ca 1.09 -1.40 0.27 0.00 -1.57 0.00 0.00 52.86 51.24 1x5s s ASN 25 Cb -0.88 -0.11 1.31 0.00 -0.02 0.00 0.00 41.25 41.54 1x5s s ASN 25 CO 0.50 -0.61 1.81 -0.33 -2.57 0.00 0.00 177.10 175.90 1x5s h GLU 26 N 1.55 0.19 0.19 -0.60 3.07 -1.96 -2.02 114.58 115.02 1x5s h GLU 26 Ca -0.44 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 1x5s h GLU 26 Cb 1.27 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1x5s h GLU 26 CO 0.76 0.13 -0.09 0.37 -1.40 0.00 0.00 179.01 178.78 1x5s h GLN 27 N 0.20 -0.25 -0.88 2.33 4.15 -1.97 -3.18 115.11 115.52 1x5s h GLN 27 Ca 0.55 0.02 0.08 0.00 0.77 0.00 0.00 58.65 60.07 1x5s h GLN 27 Cb 1.77 0.06 -0.11 0.00 0.21 0.00 0.00 27.48 29.41 1x5s h GLN 27 CO -0.15 -0.16 -0.52 0.45 -1.93 0.00 0.00 178.83 176.52 1x5s n SER 28 N -4.59 -0.93 -0.20 -0.69 2.88 -0.86 -0.64 113.62 108.59 1x5s n SER 28 Ca -0.03 1.67 -0.11 0.00 -1.33 0.00 0.00 58.87 59.07 1x5s n SER 28 Cb 0.10 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.24 1x5s n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1x5s h LEU 29 N 0.00 -1.73 -0.38 2.46 3.38 -1.55 -0.59 115.31 116.90 1x5s h LEU 29 Ca 0.14 0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.45 1x5s h LEU 29 Cb 0.36 0.75 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1x5s h LEU 29 CO -0.83 -0.36 -0.16 -0.08 0.09 0.00 0.00 178.44 177.11 1x5s h GLU 30 N -0.28 -0.08 -1.05 1.13 4.81 -1.01 0.30 114.58 118.40 1x5s h GLU 30 Ca 0.13 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.66 1x5s h GLU 30 Cb 0.56 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1x5s h GLU 30 CO -0.67 -0.06 0.74 1.96 -0.73 0.00 0.00 179.01 180.25 1x5s h GLN 31 N -0.09 0.06 0.00 1.92 1.08 0.66 0.62 115.11 119.37 1x5s h GLN 31 Ca 0.19 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1x5s h GLN 31 Cb 0.38 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1x5s h GLN 31 CO -0.44 0.04 -0.30 0.28 -0.95 0.00 0.00 178.83 177.45 1x5s h VAL 32 N 0.06 0.00 0.00 -0.54 2.07 0.10 -3.33 116.25 114.61 1x5s h VAL 32 Ca 0.51 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1x5s h VAL 32 Cb 1.92 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1x5s h VAL 32 CO -0.05 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 177.46 1x5s h PHE 33 N -0.83 0.00 0.02 1.57 -1.00 -0.25 0.20 116.94 116.65 1x5s h PHE 33 Ca 0.00 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 1x5s h PHE 33 Cb 0.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1x5s h PHE 33 CO -0.13 0.00 -0.95 1.03 -1.61 0.00 0.00 178.31 176.65 1x5s h SER 34 N 0.00 0.27 1.14 2.17 0.87 0.09 -2.32 113.55 115.78 1x5s h SER 34 Ca 0.00 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 1x5s h SER 34 Cb 0.37 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1x5s h SER 34 CO 0.00 1.07 -0.10 0.07 -0.53 0.00 0.00 176.83 177.35 1x5s h LYS 35 N 0.10 0.00 0.11 2.24 2.10 -0.71 -3.20 116.57 117.21 1x5s h LYS 35 Ca -0.06 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.28 1x5s h LYS 35 Cb 1.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.93 1x5s h LYS 35 CO 0.15 0.10 -1.66 1.88 -2.00 0.00 0.00 179.45 177.91 1x5s h TYR 36 N 0.00 0.43 -1.32 0.07 0.05 -1.51 -3.50 116.97 111.18 1x5s h TYR 36 Ca -0.00 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1x5s h TYR 36 Cb 0.69 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1x5s h TYR 36 CO 0.00 1.65 0.00 0.41 -1.05 0.00 0.00 178.16 179.17 1x5s n GLY 37 N 1.81 1.65 3.81 3.88 0.00 -0.88 -4.81 105.19 110.66 1x5s n GLY 37 Ca -0.29 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.05 4.06 0.11 1.61 -0.21 -1.26 -4.07 119.66 118.84 1x5s s GLN 38 Ca 0.00 1.19 0.07 0.00 0.02 0.00 0.00 55.36 56.64 1x5s s GLN 38 Cb 0.00 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1x5s s GLN 38 CO 0.00 -0.19 -0.17 0.42 -2.12 0.00 0.00 175.29 173.23 1x5s s ILE 39 N -2.14 1.49 -0.17 1.08 1.01 -1.26 -4.69 121.20 116.52 1x5s s ILE 39 Ca 0.64 -1.60 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 1x5s s ILE 39 Cb -0.12 -1.49 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 1x5s s ILE 39 CO 0.17 -0.23 -0.18 -0.24 0.00 0.00 0.00 174.94 174.45 1x5s n SER 40 N 0.85 2.16 -3.60 3.58 2.88 0.31 -4.68 113.62 115.12 1x5s n SER 40 Ca -0.18 0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.36 1x5s n SER 40 Cb 0.55 -0.36 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 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 -2.33 0.46 0.09 -1.46 2.12 0.19 -4.95 118.70 112.83 1x5s s GLU 41 Ca -0.23 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 54.97 1x5s s GLU 41 Cb 0.07 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 1x5s s GLU 41 CO 0.36 -0.21 -0.22 0.08 -0.54 0.00 0.00 175.26 174.74 1x5s s VAL 42 N -2.57 1.77 -0.13 3.70 1.01 -1.26 0.13 120.40 123.04 1x5s s VAL 42 Ca 0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1x5s s VAL 42 Cb 0.01 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1x5s s VAL 42 CO -0.04 0.00 0.08 -0.69 0.00 0.00 0.00 175.10 174.45 1x5s s VAL 43 N -1.09 -0.10 -0.41 2.92 1.01 0.15 -4.95 120.40 117.92 1x5s s VAL 43 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1x5s s VAL 43 Cb -0.10 -0.44 0.08 0.00 0.00 0.00 0.00 36.38 35.92 1x5s s VAL 43 CO 0.04 -0.13 0.24 -0.69 0.00 0.00 0.00 175.10 174.56 1x5s s VAL 44 N 2.15 4.09 0.34 2.92 1.01 -1.26 -0.34 120.40 129.31 1x5s s VAL 44 Ca 0.03 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1x5s s VAL 44 Cb -0.15 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1x5s s VAL 44 CO -0.07 -0.50 1.47 0.54 0.00 0.00 0.00 175.10 176.54 1x5s s VAL 45 N 1.39 2.22 0.23 2.92 0.11 -1.12 -4.92 120.40 121.24 1x5s s VAL 45 Ca 0.03 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 1x5s s VAL 45 Cb -0.23 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.44 1x5s s VAL 45 CO 0.01 0.05 0.10 -0.54 -3.33 0.00 0.00 175.10 171.39 1x5s s LYS 46 N -1.61 1.32 0.90 1.54 1.02 -1.26 -0.89 119.74 120.77 1x5s s LYS 46 Ca 0.54 -1.70 -0.14 0.00 0.02 0.00 0.00 55.97 54.70 1x5s s LYS 46 Cb -0.45 -0.10 0.14 0.00 -0.52 0.00 0.00 37.83 36.90 1x5s s LYS 46 CO 0.57 -0.31 1.20 0.34 -0.92 0.00 0.00 175.35 176.23 1x5s s ASP 47 N -3.25 3.62 -0.11 2.83 2.15 -1.26 -4.71 116.67 115.93 1x5s s ASP 47 Ca 0.37 0.69 0.19 0.00 0.43 0.00 0.00 52.55 54.23 1x5s s ASP 47 Cb 0.07 -1.07 -0.27 0.00 -0.30 0.00 0.00 42.92 41.35 1x5s s ASP 47 CO 0.12 -2.46 0.31 -1.14 -0.17 0.00 0.00 175.17 171.84 1x5s n ARG 48 N -3.66 0.67 -0.03 4.34 0.63 -1.26 -3.13 116.66 114.22 1x5s n ARG 48 Ca 0.10 -0.06 -0.01 0.00 -0.92 0.00 0.00 57.85 56.96 1x5s n ARG 48 Cb 0.60 -1.55 -0.00 0.00 0.45 0.00 0.00 32.46 31.96 1x5s n ARG 48 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x5s h GLU 49 N 0.00 0.00 0.00 -0.14 5.08 -2.06 -3.40 114.58 114.06 1x5s h GLU 49 Ca -0.29 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.86 1x5s h GLU 49 Cb 1.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 1x5s h GLU 49 CO 0.02 0.00 -1.03 0.00 -1.00 0.00 0.00 179.01 177.00 1x5s h THR 50 N -0.46 1.63 -6.14 1.13 1.03 -2.00 -3.48 112.91 104.62 1x5s h THR 50 Ca 0.00 -3.34 -0.43 0.00 -0.01 0.00 0.00 66.41 62.63 1x5s h THR 50 Cb 0.08 2.81 0.04 0.00 -1.07 0.00 0.00 68.15 70.01 1x5s h THR 50 CO 0.00 0.93 -0.82 0.00 -0.01 0.00 0.00 175.52 175.62 1x5s n GLN 51 N -3.33 -5.03 0.00 0.00 6.02 -1.18 -4.93 117.38 108.93 1x5s n GLN 51 Ca -0.01 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1x5s n GLN 51 Cb 0.94 -5.23 0.00 0.00 1.02 0.00 0.00 30.24 26.97 1x5s n GLN 51 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x5s n ARG 52 N -4.36 0.00 -3.53 -1.09 0.00 -1.26 -4.82 116.66 101.59 1x5s n ARG 52 Ca -0.23 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.63 1x5s n ARG 52 Cb 0.65 -0.37 -0.06 0.00 0.00 0.00 0.00 32.46 32.68 1x5s n ARG 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1x5s s SER 53 N -4.10 -0.25 0.11 6.15 0.15 -1.26 -4.83 113.70 109.66 1x5s s SER 53 Ca 0.00 0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.88 1x5s s SER 53 Cb 0.00 1.17 -0.05 0.00 -1.71 0.00 0.00 66.02 65.43 1x5s s SER 53 CO 0.00 -0.06 1.52 0.03 1.20 0.00 0.00 173.24 175.93 1x5s h ARG 54 N 6.04 0.65 0.00 5.44 2.47 -1.29 -3.44 114.38 124.25 1x5s h ARG 54 Ca -0.23 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1x5s h ARG 54 Cb 1.16 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1x5s h ARG 54 CO 0.17 0.80 0.00 0.41 0.56 0.00 0.00 179.97 181.91 1x5s n GLY 55 N -0.23 -0.13 3.31 0.04 0.00 -1.26 -5.05 105.19 101.87 1x5s n GLY 55 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.78 -0.01 0.00 1.61 -0.71 -1.26 -1.45 117.98 115.38 1x5s s PHE 56 Ca 0.00 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 1x5s s PHE 56 Cb 0.00 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 1x5s s PHE 56 CO 0.00 -0.68 0.00 0.41 -1.34 0.00 0.00 175.22 173.61 1x5s n GLY 57 N -0.19 3.05 3.58 1.99 0.00 -1.03 -2.80 105.19 109.80 1x5s n GLY 57 Ca -0.14 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 -5.34 -0.90 -0.27 1.61 0.40 0.54 -2.83 117.98 111.18 1x5s s PHE 58 Ca 0.00 1.94 -0.04 0.00 -0.60 0.00 0.00 56.93 58.22 1x5s s PHE 58 Cb 0.00 0.46 0.01 0.00 0.51 0.00 0.00 43.02 44.00 1x5s s PHE 58 CO 0.00 -0.45 0.01 0.08 0.70 0.00 0.00 175.22 175.56 1x5s s VAL 59 N 1.13 3.46 0.02 -0.44 1.01 -1.26 0.30 120.40 124.62 1x5s s VAL 59 Ca -0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1x5s s VAL 59 Cb -0.05 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1x5s s VAL 59 CO -0.11 0.16 1.06 -0.89 0.00 0.00 0.00 175.10 175.31 1x5s s THR 60 N 1.42 4.57 0.08 3.92 2.01 0.34 -3.94 115.64 124.05 1x5s s THR 60 Ca 0.02 1.85 0.04 0.00 0.31 0.00 0.00 61.69 63.90 1x5s s THR 60 Cb -0.17 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1x5s s THR 60 CO -0.01 0.14 0.03 -0.36 -0.69 0.00 0.00 174.62 173.74 1x5s s PHE 61 N 1.02 3.08 0.06 4.92 0.40 -1.24 0.11 117.98 126.34 1x5s s PHE 61 Ca 0.54 0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.77 1x5s s PHE 61 Cb -0.24 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1x5s s PHE 61 CO 0.28 0.50 1.22 0.93 0.70 0.00 0.00 175.22 178.85 1x5s h GLU 62 N 3.48 -0.10 0.00 0.44 3.07 -1.83 -3.44 114.58 116.19 1x5s h GLU 62 Ca -0.47 0.01 -0.55 0.00 -0.50 0.00 0.00 59.36 57.84 1x5s h GLU 62 Cb 1.17 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 29.02 1x5s h GLU 62 CO 0.62 -0.07 -0.34 0.09 -1.40 0.00 0.00 179.01 177.91 1x5s n ASN 63 N -3.81 2.94 0.10 1.42 5.03 -1.26 -5.06 115.26 114.63 1x5s n ASN 63 Ca -0.01 -2.84 -0.04 0.00 0.87 0.00 0.00 54.58 52.56 1x5s n ASN 63 Cb 0.12 0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 39.03 1x5s n ASN 63 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1x5s h ILE 64 N 0.97 0.00 -1.03 2.41 2.04 -1.85 -3.12 117.51 116.93 1x5s h ILE 64 Ca -0.35 -0.10 0.32 0.00 1.00 0.00 0.00 64.86 65.74 1x5s h ILE 64 Cb 1.13 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.07 1x5s h ILE 64 CO 0.56 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.75 1x5s h ASP 65 N -0.37 0.51 -0.57 1.72 3.32 -1.96 0.27 116.42 119.34 1x5s h ASP 65 Ca -0.03 0.18 0.11 0.00 0.02 0.00 0.00 57.03 57.31 1x5s h ASP 65 Cb 0.21 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.80 1x5s h ASP 65 CO 0.05 -0.11 0.06 0.44 -1.72 0.00 0.00 179.24 177.95 1x5s h ASP 66 N 0.33 -0.13 0.34 6.45 3.32 -1.95 0.30 116.42 125.08 1x5s h ASP 66 Ca 0.73 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.88 1x5s h ASP 66 Cb 1.70 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1x5s h ASP 66 CO -0.57 -0.05 -0.16 0.00 -1.72 0.00 0.00 179.24 176.74 1x5s h ALA 67 N 1.48 -0.52 -1.32 3.45 0.00 -0.43 -3.23 119.26 118.70 1x5s h ALA 67 Ca 0.29 -0.10 0.38 0.00 0.00 0.00 0.00 54.91 55.49 1x5s h ALA 67 Cb 0.45 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1x5s h ALA 67 CO -0.43 -0.49 0.93 1.57 0.00 0.00 0.00 179.25 180.83 1x5s h LYS 68 N -0.96 0.05 -0.63 0.00 5.09 -1.25 0.82 116.57 119.69 1x5s h LYS 68 Ca -0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.67 1x5s h LYS 68 Cb 0.35 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 32.64 1x5s h LYS 68 CO 0.08 0.03 0.30 0.22 -2.09 0.00 0.00 179.45 177.99 1x5s h ASP 69 N 0.05 0.80 0.78 7.07 3.58 -0.41 -2.55 116.42 125.75 1x5s h ASP 69 Ca 0.65 -0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.80 1x5s h ASP 69 Cb 2.46 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 43.27 1x5s h ASP 69 CO -0.07 0.68 -1.32 0.00 -2.88 0.00 0.00 179.24 175.64 1x5s h ALA 70 N 1.45 0.63 -0.42 -0.78 0.00 0.54 -3.36 119.26 117.32 1x5s h ALA 70 Ca 0.22 -1.07 0.02 0.00 0.00 0.00 0.00 54.91 54.08 1x5s h ALA 70 Cb 0.09 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1x5s h ALA 70 CO -0.03 1.24 0.24 1.98 0.00 0.00 0.00 179.25 182.68 1x5s h MET 71 N 0.00 0.48 0.00 0.00 1.85 -0.77 0.62 114.93 117.11 1x5s h MET 71 Ca -0.16 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 1x5s h MET 71 Cb 1.78 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.70 1x5s h MET 71 CO 0.08 0.32 0.00 0.00 -0.40 0.00 0.00 176.91 176.91 1x5s n MET 72 N -4.86 0.00 -0.12 0.39 0.00 -0.99 0.25 117.12 111.80 1x5s n MET 72 Ca 0.02 0.44 -0.23 0.00 0.00 0.00 0.00 57.70 57.92 1x5s n MET 72 Cb 0.07 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.71 1x5s n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x5s n ALA 73 N -1.48 1.26 -0.06 3.17 0.00 -0.04 -4.65 120.51 118.71 1x5s n ALA 73 Ca 0.01 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.34 1x5s n ALA 73 Cb 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 1x5s n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x5s h MET 74 N -0.93 0.53 -4.28 0.00 2.86 -0.73 -3.41 114.93 108.97 1x5s h MET 74 Ca -0.50 -0.32 -0.35 0.00 -2.06 0.00 0.00 59.70 56.47 1x5s h MET 74 Cb 1.42 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 33.02 1x5s h MET 74 CO -0.30 0.92 1.66 -1.71 1.06 0.00 0.00 176.91 178.54 1x5s n ASN 75 N -4.36 -0.74 -0.31 1.22 5.15 0.14 0.17 115.26 116.52 1x5s n ASN 75 Ca -0.06 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1x5s n ASN 75 Cb 0.47 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5s n GLY 76 N 5.00 0.93 3.86 8.20 0.00 -1.26 -4.81 105.19 117.12 1x5s n GLY 76 Ca 0.58 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.75 2.26 -0.32 1.61 -0.14 0.44 -5.05 119.74 115.80 1x5s s LYS 77 Ca 0.00 -2.02 0.02 0.00 -1.36 0.00 0.00 55.97 52.62 1x5s s LYS 77 Cb 0.00 -2.03 0.09 0.00 -1.68 0.00 0.00 37.83 34.21 1x5s s LYS 77 CO 0.00 -0.50 0.05 -1.54 -0.76 0.00 0.00 175.35 172.60 1x5s s SER 78 N -4.18 4.44 -0.69 2.83 1.04 -1.26 -3.63 113.70 112.26 1x5s s SER 78 Ca 0.32 -1.87 -0.24 0.00 0.48 0.00 0.00 55.95 54.65 1x5s s SER 78 Cb -0.01 -1.36 0.06 0.00 0.10 0.00 0.00 66.02 64.81 1x5s s SER 78 CO 0.19 -0.37 1.05 0.54 0.98 0.00 0.00 173.24 175.64 1x5s s VAL 79 N 1.17 4.17 -0.60 5.02 0.11 -1.26 -3.80 120.40 125.22 1x5s s VAL 79 Ca 0.08 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1x5s s VAL 79 Cb -0.19 -4.75 0.00 0.00 -1.53 0.00 0.00 36.38 29.91 1x5s s VAL 79 CO -0.13 -1.57 0.00 0.47 -3.33 0.00 0.00 175.10 170.55 1x5s n ASP 80 N 8.13 -2.88 -0.10 3.54 8.00 -1.26 -3.43 116.55 128.54 1x5s n ASP 80 Ca -0.01 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1x5s n ASP 80 Cb 0.46 -1.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5s n GLY 81 N -1.31 1.01 2.59 0.44 0.00 -1.25 -5.09 105.19 101.58 1x5s n GLY 81 Ca -0.08 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.76 0.88 -2.26 1.61 5.12 -1.22 -5.07 116.66 114.97 1x5s n ARG 82 Ca 0.00 -2.26 -0.04 0.00 -1.93 0.00 0.00 57.85 53.62 1x5s n ARG 82 Cb 0.30 0.13 0.05 0.00 -1.16 0.00 0.00 32.46 31.78 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 -1.51 1.81 -1.48 5.56 10.64 -1.26 -4.12 117.38 127.02 1x5s n GLN 83 Ca 0.02 -3.36 -0.30 0.00 -1.83 0.00 0.00 57.00 51.52 1x5s n GLN 83 Cb 0.42 -1.46 0.08 0.00 -0.86 0.00 0.00 30.24 28.42 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1x5s s ILE 84 N -3.25 3.41 0.21 -0.39 -4.36 -1.24 -4.95 121.20 110.63 1x5s s ILE 84 Ca 0.34 0.46 0.09 0.00 -0.26 0.00 0.00 60.65 61.28 1x5s s ILE 84 Cb 0.36 -3.14 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1x5s s ILE 84 CO -0.05 -0.60 -0.17 -0.60 0.24 0.00 0.00 174.94 173.76 1x5s s ARG 85 N -5.06 1.40 -0.02 0.37 3.52 -1.24 -3.51 118.95 114.41 1x5s s ARG 85 Ca 0.60 -1.57 0.01 0.00 -0.13 0.00 0.00 55.73 54.64 1x5s s ARG 85 Cb -0.15 -1.36 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1x5s s ARG 85 CO 0.55 0.25 -0.03 0.08 -0.81 0.00 0.00 175.30 175.34 1x5s s VAL 86 N -2.54 0.31 0.31 7.11 1.01 -1.26 -3.38 120.40 121.95 1x5s s VAL 86 Ca 0.22 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 1x5s s VAL 86 Cb -0.03 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1x5s s VAL 86 CO 0.09 0.13 0.68 -0.62 0.00 0.00 0.00 175.10 175.38 1x5s s ASP 87 N 0.46 -0.09 -0.17 3.32 2.15 -1.19 -4.07 116.67 117.09 1x5s s ASP 87 Ca -0.05 -0.86 -0.32 0.00 0.43 0.00 0.00 52.55 51.75 1x5s s ASP 87 Cb -0.08 0.73 -0.09 0.00 -0.30 0.00 0.00 42.92 43.18 1x5s s ASP 87 CO -0.01 -1.40 2.06 0.00 -0.17 0.00 0.00 175.17 175.65 1x5s n GLN 88 N -0.47 1.97 0.03 4.34 3.00 -1.26 -0.64 117.38 124.35 1x5s n GLN 88 Ca -0.04 0.65 -0.03 0.00 -0.01 0.00 0.00 57.00 57.56 1x5s n GLN 88 Cb 0.60 -2.83 -0.01 0.00 0.00 0.00 0.00 30.24 27.99 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x5s h ALA 89 N 11.82 -0.18 0.00 -1.58 0.00 -1.59 -3.42 119.26 124.30 1x5s h ALA 89 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1x5s h ALA 89 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1x5s h ALA 89 CO 0.97 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1x5s n GLY 90 N 1.32 0.59 2.87 0.00 0.00 -1.23 -4.90 105.19 103.83 1x5s n GLY 90 Ca -0.02 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 1x5s n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5s s LYS 91 N -1.70 1.30 -0.19 1.61 2.36 -1.26 -4.12 119.74 117.73 1x5s s LYS 91 Ca 0.00 -0.42 -0.04 0.00 -2.55 0.00 0.00 55.97 52.96 1x5s s LYS 91 Cb 0.00 -1.87 0.09 0.00 -1.05 0.00 0.00 37.83 35.00 1x5s s LYS 91 CO 0.00 -0.42 0.23 -1.12 1.55 0.00 0.00 175.35 175.59 1x5s s SER 92 N 1.69 1.18 0.12 1.43 0.01 -1.26 -5.14 113.70 111.73 1x5s s SER 92 Ca 0.01 -0.09 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 1x5s s SER 92 Cb -0.15 0.45 0.06 0.00 0.21 0.00 0.00 66.02 66.60 1x5s s SER 92 CO -0.08 -0.31 0.57 -0.55 0.41 0.00 0.00 173.24 173.28 1x5s s SER 93 N 2.35 -0.52 -0.07 2.44 0.15 -1.26 -5.17 113.70 111.62 1x5s s SER 93 Ca 0.07 0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.78 1x5s s SER 93 Cb -0.15 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1x5s s SER 93 CO -0.12 -0.89 -0.07 1.51 1.20 0.00 0.00 173.24 174.88 1x5s s ASP 94 N -2.50 4.62 0.76 5.45 1.47 -1.26 -5.10 116.67 120.11 1x5s s ASP 94 Ca -0.01 -0.03 -0.15 0.00 1.18 0.00 0.00 52.55 53.55 1x5s s ASP 94 Cb -0.00 -1.15 0.05 0.00 -0.34 0.00 0.00 42.92 41.47 1x5s s ASP 94 CO -0.09 0.36 1.19 -3.20 0.68 0.00 0.00 175.17 174.11 1x5s n ASN 95 N 2.21 1.20 -3.61 2.11 4.05 -1.26 -5.04 115.26 114.92 1x5s n ASN 95 Ca -0.18 0.65 -0.11 0.00 0.45 0.00 0.00 54.58 55.39 1x5s n ASN 95 Cb 0.53 -1.51 -0.06 0.00 1.23 0.00 0.00 39.78 39.97 1x5s n ASN 95 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1x5s s ARG 96 N -3.84 0.65 0.04 1.20 3.52 -1.26 -5.18 118.95 114.08 1x5s s ARG 96 Ca 0.76 0.52 0.01 0.00 -0.13 0.00 0.00 55.73 56.88 1x5s s ARG 96 Cb -0.32 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1x5s s ARG 96 CO 0.48 -0.13 -0.05 0.45 -0.81 0.00 0.00 175.30 175.25 1x5s s SER 97 N -0.24 0.60 0.11 -2.12 0.15 -1.26 -5.17 113.70 105.77 1x5s s SER 97 Ca -0.00 -0.71 -0.00 0.00 0.70 0.00 0.00 55.95 55.94 1x5s s SER 97 Cb -0.03 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1x5s s SER 97 CO -0.01 -0.37 0.00 -0.83 1.20 0.00 0.00 173.24 173.23 1x5s s GLY 98 N -2.07 0.86 0.67 9.45 0.00 -1.26 -5.15 107.32 109.81 1x5s s GLY 98 Ca -0.05 -1.41 -0.15 0.00 0.00 0.00 0.00 44.72 43.12 1x5s s GLY 98 CO -0.03 -1.40 1.11 2.56 0.00 0.00 0.00 173.10 175.34 1x5s s PRO 99 N -3.95 2.76 0.04 2.90 0.04 -1.26 -5.01 135.00 130.51 1x5s s PRO 99 Ca 0.18 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 1x5s s PRO 99 Cb 0.07 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x5s s PRO 99 CO -0.02 -1.28 -0.06 0.43 0.04 0.00 0.00 177.00 176.11 1x5s n SER 100 N -2.50 1.16 -4.83 6.66 7.64 -1.26 -5.04 113.62 115.46 1x5s n SER 100 Ca 0.10 0.16 -0.38 0.00 1.01 0.00 0.00 58.87 59.76 1x5s n SER 100 Cb 0.52 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1x5s n SER 100 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5s s SER 101 N -5.86 6.77 0.00 6.43 0.15 -1.26 -5.39 113.70 114.54 1x5s s SER 101 Ca -0.05 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1x5s s SER 101 Cb 0.01 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1x5s s SER 101 CO 0.08 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.43