#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 0.56 -0.05 1.61 1.04 -1.26 -5.17 113.70 110.43 1x64 s SER 2 Ca 0.00 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.55 1x64 s SER 2 Cb 0.00 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1x64 s SER 2 CO 0.00 -0.44 0.21 -0.94 0.98 0.00 0.00 173.24 173.05 1x64 s SER 3 N -2.33 -0.15 -0.30 7.02 1.04 -1.26 -5.15 113.70 112.56 1x64 s SER 3 Ca -0.01 0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 1x64 s SER 3 Cb -0.00 0.37 0.19 0.00 0.10 0.00 0.00 66.02 66.68 1x64 s SER 3 CO -0.05 -0.20 1.22 -0.83 0.98 0.00 0.00 173.24 174.36 1x64 s GLY 4 N -0.48 0.36 0.12 7.32 0.00 -1.26 -5.18 107.32 108.20 1x64 s GLY 4 Ca -0.06 3.64 -0.07 0.00 0.00 0.00 0.00 44.72 48.23 1x64 s GLY 4 CO 0.01 3.07 0.20 -0.45 0.00 0.00 0.00 173.10 175.93 1x64 s SER 5 N 1.63 0.13 0.22 1.64 0.15 -1.26 -5.18 113.70 111.04 1x64 s SER 5 Ca -0.04 -0.82 -0.21 0.00 0.70 0.00 0.00 55.95 55.58 1x64 s SER 5 Cb -0.02 0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1x64 s SER 5 CO -0.14 -0.79 0.64 -0.44 1.20 0.00 0.00 173.24 173.72 1x64 s SER 6 N -2.93 -0.38 0.00 5.45 0.01 -1.26 -5.11 113.70 109.48 1x64 s SER 6 Ca 0.12 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1x64 s SER 6 Cb 0.05 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1x64 s SER 6 CO -0.05 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1x64 n GLY 7 N -0.41 -1.80 3.87 3.44 0.00 -1.26 -5.16 105.19 103.86 1x64 n GLY 7 Ca -0.10 0.81 -0.31 0.00 0.00 0.00 0.00 46.02 46.42 1x64 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x64 s VAL 8 N 0.00 4.80 1.18 1.61 0.11 -1.26 -5.07 120.40 121.77 1x64 s VAL 8 Ca 0.00 0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 59.57 1x64 s VAL 8 Cb 0.00 -3.65 0.28 0.00 -1.53 0.00 0.00 36.38 31.48 1x64 s VAL 8 CO 0.00 -0.24 1.03 0.00 -3.33 0.00 0.00 175.10 172.56 1x64 s ARG 9 N -3.19 -0.99 -0.22 1.54 1.04 -1.26 -5.07 118.95 110.80 1x64 s ARG 9 Ca 0.51 0.54 -0.20 0.00 -1.04 0.00 0.00 55.73 55.54 1x64 s ARG 9 Cb -0.11 -1.57 0.06 0.00 -2.04 0.00 0.00 34.95 31.29 1x64 s ARG 9 CO 0.23 -3.69 0.58 0.00 -0.04 0.00 0.00 175.30 172.38 1x64 s ALA 10 N -2.61 -1.45 1.07 7.88 0.00 -1.26 -5.17 121.76 120.21 1x64 s ALA 10 Ca 0.68 1.67 -0.14 0.00 0.00 0.00 0.00 51.96 54.17 1x64 s ALA 10 Cb -0.20 -0.97 0.22 0.00 0.00 0.00 0.00 23.12 22.16 1x64 s ALA 10 CO 0.61 -0.28 1.10 -1.25 0.00 0.00 0.00 175.76 175.94 1x64 s PRO 11 N 0.38 -0.12 0.02 0.00 0.04 -1.26 -5.09 135.00 128.98 1x64 s PRO 11 Ca -0.01 0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.37 1x64 s PRO 11 Cb -0.04 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x64 s PRO 11 CO -0.00 -3.06 -0.04 0.14 0.04 0.00 0.00 177.00 174.08 1x64 s VAL 12 N -2.98 0.22 0.24 -0.36 -7.23 -1.26 -5.16 120.40 103.86 1x64 s VAL 12 Ca 0.67 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 1x64 s VAL 12 Cb -0.16 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1x64 s VAL 12 CO 0.57 -0.45 0.40 0.42 -0.31 0.00 0.00 175.10 175.74 1x64 s THR 13 N -1.38 5.21 -0.20 5.32 -4.23 -1.26 -5.10 115.64 113.99 1x64 s THR 13 Ca -0.14 -0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1x64 s THR 13 Cb -0.10 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 70.05 1x64 s THR 13 CO -0.01 -0.28 0.24 -0.54 -0.54 0.00 0.00 174.62 173.49 1x64 s LYS 14 N -3.68 0.21 -0.26 3.99 -0.14 -1.26 -5.12 119.74 113.47 1x64 s LYS 14 Ca 0.37 0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 55.24 1x64 s LYS 14 Cb -0.10 -1.04 0.03 0.00 -1.68 0.00 0.00 37.83 35.03 1x64 s LYS 14 CO 0.30 -0.63 -0.05 0.08 -0.76 0.00 0.00 175.35 174.29 1x64 s VAL 15 N 2.36 2.95 -0.05 3.17 1.01 -1.26 -5.09 120.40 123.50 1x64 s VAL 15 Ca 0.07 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 1x64 s VAL 15 Cb -0.15 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1x64 s VAL 15 CO -0.12 0.16 0.57 -1.38 0.00 0.00 0.00 175.10 174.32 1x64 s HIS 16 N 1.33 -0.52 0.00 5.22 -3.43 -1.26 -5.09 115.29 111.54 1x64 s HIS 16 Ca -0.00 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.17 1x64 s HIS 16 Cb -0.17 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1x64 s HIS 16 CO -0.04 -0.53 0.00 0.41 -2.00 0.00 0.00 174.74 172.58 1x64 n GLY 17 N 1.12 0.30 0.00 -1.38 0.00 -1.26 -5.13 105.19 98.84 1x64 n GLY 17 Ca -0.19 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 0.00 2.38 3.96 -0.02 0.00 -1.26 -5.16 105.19 105.08 1x64 n GLY 18 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N 0.00 3.82 0.00 4.61 0.00 -1.26 -5.02 121.76 123.91 1x64 s ALA 19 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1x64 s ALA 19 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1x64 s ALA 19 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1x64 n GLY 20 N -1.62 1.34 3.79 0.00 0.00 -1.26 -5.00 105.19 102.44 1x64 n GLY 20 Ca -0.06 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 21 N 0.00 6.28 0.25 1.61 0.01 -1.26 -4.99 113.70 115.59 1x64 s SER 21 Ca 0.00 0.32 -0.08 0.00 1.31 0.00 0.00 55.95 57.51 1x64 s SER 21 Cb 0.00 -2.08 0.42 0.00 0.21 0.00 0.00 66.02 64.57 1x64 s SER 21 CO 0.00 0.26 1.62 0.00 0.41 0.00 0.00 173.24 175.53 1x64 h ALA 22 N 6.04 0.73 -3.04 1.44 0.00 -2.00 -3.39 119.26 119.04 1x64 h ALA 22 Ca -0.46 0.27 -0.65 0.00 0.00 0.00 0.00 54.91 54.06 1x64 h ALA 22 Cb 1.18 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 1x64 h ALA 22 CO 0.69 -0.43 -0.56 1.14 0.00 0.00 0.00 179.25 180.09 1x64 s GLN 23 N -6.15 3.14 -0.12 0.00 -2.07 -1.26 -5.00 119.66 108.21 1x64 s GLN 23 Ca -0.14 -0.44 0.10 0.00 -1.82 0.00 0.00 55.36 53.06 1x64 s GLN 23 Cb 0.23 -2.91 0.48 0.00 -1.09 0.00 0.00 33.01 29.72 1x64 s GLN 23 CO 0.76 0.66 1.28 0.54 -1.32 0.00 0.00 175.29 177.20 1x64 n ARG 24 N 1.22 3.13 -3.53 9.60 1.74 -1.26 -4.88 116.66 122.68 1x64 n ARG 24 Ca -0.13 -1.87 -0.13 0.00 -0.77 0.00 0.00 57.85 54.95 1x64 n ARG 24 Cb 0.53 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x64 s MET 25 N -1.95 0.84 0.36 5.56 0.23 -1.26 -5.15 119.30 117.93 1x64 s MET 25 Ca 0.33 0.05 -0.27 0.00 -1.03 0.00 0.00 55.69 54.77 1x64 s MET 25 Cb 0.24 0.39 -0.09 0.00 -1.53 0.00 0.00 34.83 33.84 1x64 s MET 25 CO 0.12 -0.29 1.21 -1.25 -2.03 0.00 0.00 175.02 172.77 1x64 s PRO 26 N -1.70 4.25 -0.26 3.16 0.04 -1.26 -4.86 135.00 134.37 1x64 s PRO 26 Ca -0.03 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1x64 s PRO 26 Cb -0.00 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 1x64 s PRO 26 CO 0.01 -0.19 0.16 -1.17 0.04 0.00 0.00 177.00 175.85 1x64 s LEU 27 N -2.08 3.95 -0.24 -3.56 1.98 -1.26 -2.60 118.68 114.87 1x64 s LEU 27 Ca 0.52 -0.00 -0.36 0.00 -2.89 0.00 0.00 54.13 51.40 1x64 s LEU 27 Cb -0.34 -2.08 -0.12 0.00 0.66 0.00 0.00 46.19 44.31 1x64 s LEU 27 CO 0.44 -0.01 1.98 0.00 -1.89 0.00 0.00 176.35 176.88 1x64 n ASP 29 N 7.83 0.00 -0.11 0.00 2.03 -1.24 0.84 116.55 125.90 1x64 n ASP 29 Ca 0.31 -0.92 -0.16 0.00 0.52 0.00 0.00 54.79 54.54 1x64 n ASP 29 Cb 0.24 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x64 n LYS 30 N -0.87 0.54 -0.20 -0.67 3.00 -1.26 -4.64 118.16 114.05 1x64 n LYS 30 Ca 0.13 0.30 0.06 0.00 -0.00 0.00 0.00 58.31 58.79 1x64 n LYS 30 Cb 0.06 -1.51 0.15 0.00 0.00 0.00 0.00 35.03 33.74 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N 0.14 -0.19 3.05 0.00 0.00 0.25 -4.92 105.19 103.51 1x64 n GLY 32 Ca 0.12 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 33 N -4.09 2.59 0.16 1.61 0.01 -1.24 -4.86 113.70 107.87 1x64 s SER 33 Ca 0.21 -0.46 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 1x64 s SER 33 Cb -0.12 -1.15 -0.11 0.00 0.21 0.00 0.00 66.02 64.85 1x64 s SER 33 CO 1.00 -0.01 0.27 0.61 0.41 0.00 0.00 173.24 175.52 1x64 n GLY 34 N 4.43 -1.25 3.40 3.44 0.00 -1.26 -3.46 105.19 110.49 1x64 n GLY 34 Ca -0.18 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -0.73 3.40 -0.22 -0.61 1.01 -1.07 -4.84 121.20 118.13 1x64 s ILE 35 Ca 0.40 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 1x64 s ILE 35 Cb -0.55 -2.47 0.10 0.00 0.01 0.00 0.00 42.46 39.55 1x64 s ILE 35 CO 0.36 0.49 0.49 -0.69 0.00 0.00 0.00 174.94 175.60 1x64 s VAL 36 N 0.58 -0.61 0.00 2.92 1.01 -1.26 -4.58 120.40 118.45 1x64 s VAL 36 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1x64 s VAL 36 Cb -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1x64 s VAL 36 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1x64 n GLY 37 N 5.20 3.06 3.09 4.51 0.00 -1.26 -4.99 105.19 114.80 1x64 n GLY 37 Ca -0.12 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N 0.00 -0.68 0.10 4.61 0.00 -1.26 -5.16 121.76 119.36 1x64 s ALA 38 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1x64 s ALA 38 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1x64 s ALA 38 CO 0.00 -0.37 -0.02 0.54 0.00 0.00 0.00 175.76 175.90 1x64 s VAL 39 N 1.71 0.42 -0.29 0.00 0.11 -1.26 -4.30 120.40 116.79 1x64 s VAL 39 Ca -0.06 -1.89 -0.01 0.00 -2.93 0.00 0.00 61.98 57.09 1x64 s VAL 39 Cb -0.11 -1.74 0.09 0.00 -1.53 0.00 0.00 36.38 33.10 1x64 s VAL 39 CO -0.10 -0.80 0.08 -0.69 -3.33 0.00 0.00 175.10 170.26 1x64 s VAL 40 N -3.81 0.87 -0.23 2.04 1.01 0.34 -4.82 120.40 115.80 1x64 s VAL 40 Ca 0.14 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 1x64 s VAL 40 Cb 0.07 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1x64 s VAL 40 CO -0.05 -0.58 0.03 -0.75 0.00 0.00 0.00 175.10 173.76 1x64 s LYS 41 N 1.64 3.61 0.00 2.72 2.20 -1.26 0.28 119.74 128.93 1x64 s LYS 41 Ca 0.07 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1x64 s LYS 41 Cb -0.17 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1x64 s LYS 41 CO -0.22 -0.12 0.01 0.00 -0.36 0.00 0.00 175.35 174.66 1x64 n ALA 42 N 4.68 -0.00 -1.10 3.13 0.00 -1.18 -4.95 120.51 121.09 1x64 n ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x64 n ALA 42 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1x64 n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x64 n ARG 43 N -0.52 0.00 -0.00 0.00 1.74 -1.26 -4.94 116.66 111.69 1x64 n ARG 43 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1x64 n ARG 43 Cb 0.00 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x64 n ASP 44 N -1.26 4.50 -4.94 0.55 5.68 -1.26 -5.05 116.55 114.78 1x64 n ASP 44 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 1x64 n ASP 44 Cb 0.00 1.04 0.04 0.00 -1.14 0.00 0.00 41.12 41.06 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1x64 s LYS 45 N -2.14 2.57 0.06 0.11 1.02 -1.26 -5.10 119.74 114.99 1x64 s LYS 45 Ca -0.01 -0.34 0.05 0.00 0.02 0.00 0.00 55.97 55.69 1x64 s LYS 45 Cb 0.01 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1x64 s LYS 45 CO 0.09 -0.87 -0.14 0.71 -0.92 0.00 0.00 175.35 174.22 1x64 s TYR 46 N -2.99 1.21 -0.07 3.18 1.51 -1.26 -3.09 117.35 115.84 1x64 s TYR 46 Ca 0.57 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 56.12 1x64 s TYR 46 Cb -0.11 -0.70 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1x64 s TYR 46 CO 0.43 0.04 0.26 1.03 -1.11 0.00 0.00 175.55 176.20 1x64 s ARG 47 N -1.45 0.40 0.98 -0.62 1.81 0.14 -3.63 118.95 116.59 1x64 s ARG 47 Ca -0.00 0.16 -0.13 0.00 -1.72 0.00 0.00 55.73 54.04 1x64 s ARG 47 Cb -0.09 0.19 0.10 0.00 -0.45 0.00 0.00 34.95 34.69 1x64 s ARG 47 CO 0.02 -0.08 0.63 0.72 -0.68 0.00 0.00 175.30 175.91 1x64 n HIS 48 N 2.41 -0.75 0.47 -0.53 8.25 -1.26 0.13 115.22 123.94 1x64 n HIS 48 Ca -0.16 0.24 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 1x64 n HIS 48 Cb 0.57 -1.82 0.33 0.00 1.12 0.00 0.00 29.99 30.20 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -2.76 0.03 -0.01 -0.41 -0.04 -1.26 -2.20 135.00 128.35 1x64 n PRO 49 Ca 0.07 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1x64 n PRO 49 Cb 0.54 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.62 1.86 0.04 0.54 0.28 -1.26 -4.67 120.64 115.81 1x64 n GLU 50 Ca 0.03 -0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 1x64 n GLU 50 Cb 0.17 -1.06 -0.01 0.00 1.43 0.00 0.00 31.44 31.97 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.84 1.20 -3.87 0.00 7.35 -0.94 -4.83 117.46 112.53 1x64 n PHE 52 Ca -0.06 0.22 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 1x64 n PHE 52 Cb 0.75 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 38.04 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.26 0.00 0.84 -2.13 -7.23 -1.26 -3.30 120.40 117.58 1x64 s VAL 53 Ca 1.12 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1x64 s VAL 53 Cb -0.64 -2.66 0.09 0.00 0.56 0.00 0.00 36.38 33.73 1x64 s VAL 53 CO 0.38 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.27 1x64 n ALA 55 N -3.58 3.45 -0.07 0.00 0.00 -1.18 -2.74 120.51 116.38 1x64 n ALA 55 Ca 0.07 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 1x64 n ALA 55 Cb 0.56 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 1x64 n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x64 n ASP 56 N -0.29 2.68 -0.00 0.00 8.00 -1.26 -4.77 116.55 120.92 1x64 n ASP 56 Ca 0.07 -0.05 0.01 0.00 0.71 0.00 0.00 54.79 55.53 1x64 n ASP 56 Cb 0.37 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x64 n ASN 58 N -1.40 -3.32 -4.80 0.00 2.85 -1.11 -4.90 115.26 102.59 1x64 n ASN 58 Ca -0.00 -0.35 -0.38 0.00 -0.11 0.00 0.00 54.58 53.74 1x64 n ASN 58 Cb 0.05 -3.27 -0.06 0.00 1.24 0.00 0.00 39.78 37.73 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x64 s LEU 59 N -4.73 4.44 -0.39 1.20 0.20 -1.26 -4.41 118.68 113.73 1x64 s LEU 59 Ca 0.17 1.00 -0.27 0.00 0.69 0.00 0.00 54.13 55.72 1x64 s LEU 59 Cb -0.08 -2.68 -0.07 0.00 -0.43 0.00 0.00 46.19 42.93 1x64 s LEU 59 CO 0.44 0.23 2.35 0.59 -0.29 0.00 0.00 176.35 179.67 1x64 n ASN 60 N 2.25 2.64 0.17 3.68 4.13 -1.26 -1.04 115.26 125.83 1x64 n ASN 60 Ca -0.11 -0.22 0.12 0.00 1.68 0.00 0.00 54.58 56.04 1x64 n ASN 60 Cb 0.52 -1.56 0.18 0.00 -1.54 0.00 0.00 39.78 37.37 1x64 n ASN 60 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1x64 h LEU 61 N 17.73 0.00 -0.43 3.41 3.38 -1.86 -3.33 115.31 134.21 1x64 h LEU 61 Ca -0.30 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1x64 h LEU 61 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1x64 h LEU 61 CO 1.09 0.01 -0.25 1.17 0.09 0.00 0.00 178.44 180.54 1x64 n LYS 62 N -2.83 -0.19 0.06 1.13 3.00 -1.26 -1.46 118.16 116.62 1x64 n LYS 62 Ca 0.04 0.94 -0.21 0.00 -0.00 0.00 0.00 58.31 59.08 1x64 n LYS 62 Cb 0.51 -1.39 -0.14 0.00 0.00 0.00 0.00 35.03 34.01 1x64 n LYS 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x64 h GLN 63 N 0.00 0.39 -7.36 1.64 3.07 -1.97 -3.47 115.11 107.41 1x64 h GLN 63 Ca 0.07 -0.60 -0.41 0.00 0.09 0.00 0.00 58.65 57.80 1x64 h GLN 63 Cb 0.18 0.21 0.20 0.00 0.08 0.00 0.00 27.48 28.15 1x64 h GLN 63 CO -0.40 1.27 0.10 0.15 0.09 0.00 0.00 178.83 180.03 1x64 s LYS 64 N -2.62 -1.62 -0.39 0.06 1.02 -0.53 -4.94 119.74 110.72 1x64 s LYS 64 Ca -0.12 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1x64 s LYS 64 Cb 0.02 -1.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.80 1x64 s LYS 64 CO 0.86 -3.96 1.08 0.20 -0.92 0.00 0.00 175.35 172.60 1x64 s GLY 65 N -3.87 1.46 0.58 -3.33 0.00 -1.26 -4.80 107.32 96.11 1x64 s GLY 65 Ca 0.71 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 45.03 1x64 s GLY 65 CO 0.56 2.29 1.01 -2.52 0.00 0.00 0.00 173.10 174.44 1x64 s TYR 66 N 3.92 3.55 0.04 1.90 1.13 -1.26 -3.34 117.35 123.29 1x64 s TYR 66 Ca 0.45 1.36 -0.00 0.00 -1.41 0.00 0.00 57.07 57.47 1x64 s TYR 66 Cb -0.10 -2.75 -0.03 0.00 -1.10 0.00 0.00 41.96 37.97 1x64 s TYR 66 CO 0.22 -0.59 -0.03 -0.06 -2.51 0.00 0.00 175.55 172.58 1x64 s PHE 67 N -2.97 0.46 -0.30 -3.49 0.40 -0.85 -4.94 117.98 106.30 1x64 s PHE 67 Ca 0.57 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1x64 s PHE 67 Cb -0.11 -0.33 0.09 0.00 0.51 0.00 0.00 43.02 43.18 1x64 s PHE 67 CO 0.45 -0.30 0.04 -0.06 0.70 0.00 0.00 175.22 176.05 1x64 s PHE 68 N -3.06 2.57 -0.33 0.36 0.08 -1.26 -2.78 117.98 113.57 1x64 s PHE 68 Ca -0.01 -2.16 0.03 0.00 0.12 0.00 0.00 56.93 54.92 1x64 s PHE 68 Cb 0.02 -2.08 0.09 0.00 -0.57 0.00 0.00 43.02 40.48 1x64 s PHE 68 CO -0.07 -0.87 0.02 0.08 -0.10 0.00 0.00 175.22 174.29 1x64 s VAL 69 N 1.32 2.34 -1.08 -0.44 1.01 0.42 -4.70 120.40 119.28 1x64 s VAL 69 Ca 0.06 -2.15 -0.05 0.00 0.00 0.00 0.00 61.98 59.85 1x64 s VAL 69 Cb -0.18 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1x64 s VAL 69 CO -0.14 -0.47 0.60 -0.62 0.00 0.00 0.00 175.10 174.47 1x64 n GLU 70 N 4.32 -4.39 0.00 2.72 1.02 -1.26 -2.51 120.64 120.55 1x64 n GLU 70 Ca -0.01 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1x64 n GLU 70 Cb 0.42 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.85 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x64 n GLY 71 N -1.42 2.36 3.84 0.62 0.00 -1.26 -5.00 105.19 104.33 1x64 n GLY 71 Ca -0.05 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N 0.00 3.39 0.28 1.61 2.56 -1.04 -5.00 118.70 120.49 1x64 s GLU 72 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 54.97 55.93 1x64 s GLU 72 Cb 0.00 -2.05 -0.03 0.00 2.00 0.00 0.00 34.13 34.05 1x64 s GLU 72 CO 0.00 -0.74 0.36 -0.51 -0.56 0.00 0.00 175.26 173.81 1x64 s LEU 73 N -5.07 4.07 0.04 2.70 1.43 -1.26 -0.44 118.68 120.15 1x64 s LEU 73 Ca 0.58 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.30 1x64 s LEU 73 Cb -0.12 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.50 1x64 s LEU 73 CO 0.49 -0.19 0.75 -0.31 0.23 0.00 0.00 176.35 177.32 1x64 s TYR 74 N -2.09 -0.48 0.93 0.29 2.02 -1.12 -3.13 117.35 113.77 1x64 s TYR 74 Ca 0.37 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 1x64 s TYR 74 Cb -0.09 0.52 0.15 0.00 -0.40 0.00 0.00 41.96 42.14 1x64 s TYR 74 CO 0.29 -0.66 1.16 0.00 -1.57 0.00 0.00 175.55 174.77 1x64 h GLU 76 N -1.54 0.66 0.00 0.00 4.81 -1.92 0.38 114.58 116.96 1x64 h GLU 76 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1x64 h GLU 76 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1x64 h GLU 76 CO 0.57 0.43 0.00 2.41 -0.73 0.00 0.00 179.01 181.70 1x64 n THR 77 N -4.48 0.00 0.12 0.32 -1.04 -1.26 -1.99 114.28 105.95 1x64 n THR 77 Ca 0.10 1.02 -0.13 0.00 -2.04 0.00 0.00 64.05 63.00 1x64 n THR 77 Cb 0.24 -1.98 -0.06 0.00 -1.82 0.00 0.00 70.33 66.72 1x64 n THR 77 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1x64 h HIS 78 N 0.00 -0.80 -0.46 -1.42 3.86 -1.93 -2.59 115.15 111.81 1x64 h HIS 78 Ca 0.00 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1x64 h HIS 78 Cb 0.00 0.33 -0.09 0.00 1.06 0.00 0.00 27.41 28.71 1x64 h HIS 78 CO 0.12 -0.40 -0.51 0.00 0.86 0.00 0.00 177.93 178.00 1x64 h ALA 79 N 0.16 -0.61 -0.92 2.45 0.00 -0.40 0.11 119.26 120.04 1x64 h ALA 79 Ca 0.03 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1x64 h ALA 79 Cb 0.54 1.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 1x64 h ALA 79 CO -0.16 -0.97 0.39 0.00 0.00 0.00 0.00 179.25 178.51 1x64 h ARG 80 N -0.34 0.31 -0.18 0.00 3.08 -1.19 0.90 114.38 116.96 1x64 h ARG 80 Ca 0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1x64 h ARG 80 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1x64 h ARG 80 CO -0.62 0.21 -0.00 0.00 -1.07 0.00 0.00 179.97 178.48 1x64 h ALA 81 N 1.77 1.66 0.00 0.04 0.00 -0.42 1.49 119.26 123.81 1x64 h ALA 81 Ca 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x64 h ALA 81 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1x64 h ALA 81 CO -0.59 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 178.84 1x64 h ARG 82 N 0.26 0.00 -0.53 0.00 3.08 0.14 -3.38 114.38 113.96 1x64 h ARG 82 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1x64 h ARG 82 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1x64 h ARG 82 CO 0.00 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.81 1x64 h THR 83 N -0.71 1.27 -6.22 2.04 1.03 -0.71 -3.47 112.91 106.13 1x64 h THR 83 Ca 0.00 -1.23 -0.48 0.00 -0.01 0.00 0.00 66.41 64.70 1x64 h THR 83 Cb 0.08 0.96 -0.07 0.00 -1.07 0.00 0.00 68.15 68.05 1x64 h THR 83 CO 0.00 0.43 -0.74 -1.54 -0.01 0.00 0.00 175.52 173.66 1x64 n SER 84 N -4.15 -4.54 0.00 0.00 3.41 0.51 -4.38 113.62 104.46 1x64 n SER 84 Ca 0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1x64 n SER 84 Cb 0.39 -3.65 0.00 0.00 -0.26 0.00 0.00 64.21 60.69 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x64 n GLY 85 N -1.58 0.24 3.70 5.00 0.00 -1.26 -5.06 105.19 106.23 1x64 n GLY 85 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1x64 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x64 s PRO 86 N -0.01 4.31 -0.00 1.61 0.04 -1.26 -4.94 135.00 134.73 1x64 s PRO 86 Ca 0.00 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1x64 s PRO 86 Cb 0.00 -3.40 -0.20 0.00 0.04 0.00 0.00 34.50 30.95 1x64 s PRO 86 CO 0.00 -0.49 1.18 0.77 0.04 0.00 0.00 177.00 178.50 1x64 h SER 87 N 7.27 0.32 -0.53 6.66 0.02 -1.97 -3.30 113.55 122.02 1x64 h SER 87 Ca -0.41 -0.64 0.09 0.00 -0.84 0.00 0.00 61.79 60.00 1x64 h SER 87 Cb 1.20 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 1x64 h SER 87 CO 0.88 0.90 -0.38 0.28 -1.14 0.00 0.00 176.83 177.37 1x64 h SER 88 N -0.25 -1.30 0.00 3.07 0.02 -2.04 -3.57 113.55 109.48 1x64 h SER 88 Ca -0.01 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1x64 h SER 88 Cb 0.89 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1x64 h SER 88 CO 0.05 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.02