#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 6.69 0.40 1.61 0.15 -1.26 -5.01 113.70 116.28 1x64 s SER 2 Ca 0.00 1.48 -0.05 0.00 0.70 0.00 0.00 55.95 58.08 1x64 s SER 2 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1x64 s SER 2 CO 0.00 -1.02 0.70 -0.94 1.20 0.00 0.00 173.24 173.18 1x64 s SER 3 N 2.88 6.36 0.00 5.45 1.04 -1.26 -4.98 113.70 123.20 1x64 s SER 3 Ca 0.60 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1x64 s SER 3 Cb -0.21 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1x64 s SER 3 CO 0.22 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1x64 n GLY 4 N -1.69 2.23 3.39 7.32 0.00 -1.26 -5.14 105.19 110.03 1x64 n GLY 4 Ca -0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 1x64 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 5 N 0.00 -0.63 0.34 1.61 0.15 -1.26 -5.17 113.70 108.74 1x64 s SER 5 Ca 0.00 1.12 0.04 0.00 0.70 0.00 0.00 55.95 57.82 1x64 s SER 5 Cb 0.00 1.15 -0.03 0.00 -1.71 0.00 0.00 66.02 65.43 1x64 s SER 5 CO 0.00 -0.21 0.18 -0.94 1.20 0.00 0.00 173.24 173.47 1x64 s SER 6 N 1.80 1.98 -0.26 5.45 1.04 -1.26 -5.14 113.70 117.31 1x64 s SER 6 Ca -0.08 -1.65 -0.07 0.00 0.48 0.00 0.00 55.95 54.63 1x64 s SER 6 Cb -0.08 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1x64 s SER 6 CO -0.15 -0.95 0.07 -0.83 0.98 0.00 0.00 173.24 172.36 1x64 s GLY 7 N -3.45 1.76 0.34 7.32 0.00 -1.26 -5.09 107.32 106.94 1x64 s GLY 7 Ca 0.33 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1x64 s GLY 7 CO 0.19 0.56 0.05 -1.34 0.00 0.00 0.00 173.10 172.57 1x64 s VAL 8 N 1.58 1.27 -0.21 1.40 -7.23 -1.26 -5.15 120.40 110.80 1x64 s VAL 8 Ca 0.05 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1x64 s VAL 8 Cb -0.16 -2.81 0.10 0.00 0.56 0.00 0.00 36.38 34.07 1x64 s VAL 8 CO 0.03 0.00 0.42 -0.13 -0.31 0.00 0.00 175.10 175.10 1x64 s ARG 9 N -3.87 0.33 0.04 4.82 0.52 -1.26 -5.16 118.95 114.37 1x64 s ARG 9 Ca 0.36 0.97 0.05 0.00 -0.52 0.00 0.00 55.73 56.59 1x64 s ARG 9 Cb 0.09 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 1x64 s ARG 9 CO 0.16 -0.31 -0.10 0.00 0.02 0.00 0.00 175.30 175.07 1x64 s ALA 10 N 2.61 2.93 0.55 2.13 0.00 -1.26 -5.11 121.76 123.60 1x64 s ALA 10 Ca 0.01 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1x64 s ALA 10 Cb -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1x64 s ALA 10 CO -0.13 0.61 1.13 -1.25 0.00 0.00 0.00 175.76 176.12 1x64 s PRO 11 N -1.62 3.31 0.00 0.00 0.04 -1.26 -5.06 135.00 130.41 1x64 s PRO 11 Ca 0.18 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1x64 s PRO 11 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1x64 s PRO 11 CO 0.09 -0.88 0.04 0.14 0.04 0.00 0.00 177.00 176.42 1x64 s VAL 12 N -1.82 0.08 0.00 -0.36 -7.23 -1.26 -5.16 120.40 104.65 1x64 s VAL 12 Ca 0.72 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1x64 s VAL 12 Cb -0.24 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.43 1x64 s VAL 12 CO 0.28 -0.35 -0.04 0.42 -0.31 0.00 0.00 175.10 175.11 1x64 s THR 13 N -1.08 0.31 0.45 5.32 -4.23 -1.26 -5.14 115.64 110.02 1x64 s THR 13 Ca -0.12 -0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 59.90 1x64 s THR 13 Cb -0.07 -0.28 -0.07 0.00 1.34 0.00 0.00 72.50 73.41 1x64 s THR 13 CO -0.00 0.03 1.19 -0.54 -0.54 0.00 0.00 174.62 174.76 1x64 s LYS 14 N -0.25 3.76 -0.21 3.99 1.02 -1.26 -5.04 119.74 121.75 1x64 s LYS 14 Ca -0.00 1.85 -0.17 0.00 0.02 0.00 0.00 55.97 57.67 1x64 s LYS 14 Cb -0.02 -2.46 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 1x64 s LYS 14 CO -0.00 -0.57 0.54 0.54 -0.92 0.00 0.00 175.35 174.94 1x64 s VAL 15 N -1.48 -0.00 -0.53 3.17 0.11 -1.26 -5.12 120.40 115.28 1x64 s VAL 15 Ca 0.63 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 59.45 1x64 s VAL 15 Cb -0.31 -0.76 0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1x64 s VAL 15 CO 0.37 0.01 0.90 -1.00 -3.33 0.00 0.00 175.10 172.05 1x64 s HIS 16 N 0.60 2.85 0.06 1.54 3.76 -1.26 -5.01 115.29 117.83 1x64 s HIS 16 Ca -0.03 0.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1x64 s HIS 16 Cb -0.05 -3.97 -0.04 0.00 1.11 0.00 0.00 32.58 29.63 1x64 s HIS 16 CO -0.04 -1.26 -0.05 0.20 -0.85 0.00 0.00 174.74 172.74 1x64 s GLY 17 N 2.69 0.56 0.00 -2.22 0.00 -1.26 -5.11 107.32 101.99 1x64 s GLY 17 Ca 0.30 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1x64 s GLY 17 CO 0.20 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.71 1x64 n GLY 18 N 0.49 0.37 3.17 0.20 0.00 -1.26 -5.19 105.19 102.97 1x64 n GLY 18 Ca -0.16 0.35 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.97 -0.29 4.61 0.00 -1.26 -5.17 121.76 120.63 1x64 s ALA 19 Ca 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 1x64 s ALA 19 Cb 0.00 0.96 0.12 0.00 0.00 0.00 0.00 23.12 24.20 1x64 s ALA 19 CO 0.00 -0.50 0.82 0.20 0.00 0.00 0.00 175.76 176.28 1x64 s GLY 20 N -3.08 -0.39 0.11 0.00 0.00 -1.26 -5.17 107.32 97.54 1x64 s GLY 20 Ca 0.27 2.73 0.08 0.00 0.00 0.00 0.00 44.72 47.81 1x64 s GLY 20 CO 0.04 2.68 -0.16 -0.56 0.00 0.00 0.00 173.10 175.10 1x64 s SER 21 N 1.84 4.04 0.19 1.64 0.01 -1.26 -5.11 113.70 115.05 1x64 s SER 21 Ca -0.08 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 1x64 s SER 21 Cb -0.06 -0.63 -0.08 0.00 0.21 0.00 0.00 66.02 65.46 1x64 s SER 21 CO -0.18 0.18 1.19 0.00 0.41 0.00 0.00 173.24 174.84 1x64 s ALA 22 N -1.16 3.43 0.16 1.44 0.00 -1.26 -5.03 121.76 119.33 1x64 s ALA 22 Ca 0.19 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 1x64 s ALA 22 Cb -0.11 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.64 1x64 s ALA 22 CO 0.11 -0.35 0.45 -0.65 0.00 0.00 0.00 175.76 175.32 1x64 s GLN 23 N -0.34 1.20 0.00 0.00 -0.21 -1.26 -5.02 119.66 114.03 1x64 s GLN 23 Ca 0.52 -0.78 0.24 0.00 0.02 0.00 0.00 55.36 55.35 1x64 s GLN 23 Cb -0.32 0.49 1.40 0.00 1.00 0.00 0.00 33.01 35.58 1x64 s GLN 23 CO 0.37 -0.49 1.89 0.54 -2.12 0.00 0.00 175.29 175.48 1x64 n ARG 24 N -0.28 0.97 -3.55 2.91 3.00 -1.26 -4.82 116.66 113.64 1x64 n ARG 24 Ca -0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.60 1x64 n ARG 24 Cb 0.63 -1.38 -0.04 0.00 0.00 0.00 0.00 32.46 31.67 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x64 s MET 25 N -2.00 0.71 0.35 5.56 0.23 -1.26 -5.14 119.30 117.75 1x64 s MET 25 Ca 0.35 0.02 -0.27 0.00 -1.03 0.00 0.00 55.69 54.76 1x64 s MET 25 Cb 0.16 0.33 -0.09 0.00 -1.53 0.00 0.00 34.83 33.70 1x64 s MET 25 CO 0.27 -0.25 1.21 -1.25 -2.03 0.00 0.00 175.02 172.97 1x64 s PRO 26 N -1.76 4.26 -0.28 3.16 0.04 -1.26 -4.86 135.00 134.30 1x64 s PRO 26 Ca -0.01 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 1x64 s PRO 26 Cb -0.01 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1x64 s PRO 26 CO -0.01 -0.18 0.15 -1.17 0.04 0.00 0.00 177.00 175.83 1x64 s LEU 27 N -2.05 3.87 -0.22 -3.56 1.98 -1.26 -2.36 118.68 115.08 1x64 s LEU 27 Ca 0.52 -0.19 -0.36 0.00 -2.89 0.00 0.00 54.13 51.21 1x64 s LEU 27 Cb -0.34 -2.03 -0.13 0.00 0.66 0.00 0.00 46.19 44.35 1x64 s LEU 27 CO 0.44 -0.08 1.93 0.00 -1.89 0.00 0.00 176.35 176.76 1x64 n ASP 29 N 7.25 0.00 -0.11 0.00 -0.08 -1.24 0.87 116.55 123.23 1x64 n ASP 29 Ca 0.29 -0.89 -0.18 0.00 -1.51 0.00 0.00 54.79 52.50 1x64 n ASP 29 Cb 0.23 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.63 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1x64 n LYS 30 N -0.91 0.55 -0.21 -0.67 3.00 -1.26 -4.64 118.16 114.02 1x64 n LYS 30 Ca 0.15 0.30 0.06 0.00 -0.00 0.00 0.00 58.31 58.82 1x64 n LYS 30 Cb 0.07 -1.52 0.16 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 -0.02 -0.24 3.15 0.00 0.00 0.25 -4.91 105.19 103.43 1x64 n GLY 32 Ca 0.13 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 33 N -3.80 2.72 0.20 1.61 0.15 -1.24 -4.85 113.70 108.49 1x64 s SER 33 Ca 0.36 -0.49 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 1x64 s SER 33 Cb -0.21 -1.24 -0.16 0.00 -1.71 0.00 0.00 66.02 62.69 1x64 s SER 33 CO 0.97 0.10 0.48 0.61 1.20 0.00 0.00 173.24 176.60 1x64 n GLY 34 N 3.76 -1.73 3.31 9.45 0.00 -1.26 -3.18 105.19 115.54 1x64 n GLY 34 Ca -0.20 0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.99 3.64 -0.15 -0.61 1.01 -0.99 -4.86 121.20 118.25 1x64 s ILE 35 Ca 0.62 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1x64 s ILE 35 Cb -0.89 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 38.80 1x64 s ILE 35 CO 0.54 0.14 0.14 -0.69 0.00 0.00 0.00 174.94 175.08 1x64 s VAL 36 N 1.45 -0.21 0.00 2.92 1.01 -1.26 -4.53 120.40 119.79 1x64 s VAL 36 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1x64 s VAL 36 Cb -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1x64 s VAL 36 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1x64 n GLY 37 N 5.30 3.55 3.53 4.51 0.00 -1.26 -5.03 105.19 115.80 1x64 n GLY 37 Ca -0.06 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.69 0.16 4.61 0.00 -1.26 -5.17 121.76 118.41 1x64 s ALA 38 Ca 0.00 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.11 1x64 s ALA 38 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1x64 s ALA 38 CO 0.00 -0.54 0.04 0.54 0.00 0.00 0.00 175.76 175.80 1x64 s VAL 39 N 2.01 0.37 -0.28 0.00 0.11 -1.26 -4.26 120.40 117.08 1x64 s VAL 39 Ca -0.08 -1.95 -0.01 0.00 -2.93 0.00 0.00 61.98 57.01 1x64 s VAL 39 Cb -0.08 -2.14 0.09 0.00 -1.53 0.00 0.00 36.38 32.72 1x64 s VAL 39 CO -0.18 -0.42 0.08 -0.69 -3.33 0.00 0.00 175.10 170.57 1x64 s VAL 40 N -3.87 0.77 -0.22 2.04 1.01 0.53 -4.76 120.40 115.90 1x64 s VAL 40 Ca 0.26 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1x64 s VAL 40 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1x64 s VAL 40 CO 0.04 -0.57 0.07 -0.75 0.00 0.00 0.00 175.10 173.88 1x64 s LYS 41 N 1.69 3.78 0.00 2.72 2.20 -1.26 0.60 119.74 129.46 1x64 s LYS 41 Ca 0.07 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1x64 s LYS 41 Cb -0.17 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1x64 s LYS 41 CO -0.22 -0.00 0.00 0.00 -0.36 0.00 0.00 175.35 174.76 1x64 n ALA 42 N 4.37 0.00 -0.76 3.13 0.00 -1.13 -4.97 120.51 121.15 1x64 n ALA 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1x64 n ALA 42 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1x64 n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x64 n ARG 43 N -0.43 0.00 -0.01 0.00 0.63 -1.26 -4.94 116.66 110.65 1x64 n ARG 43 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1x64 n ARG 43 Cb 0.00 -0.12 -0.02 0.00 0.45 0.00 0.00 32.46 32.77 1x64 n ARG 43 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x64 n ASP 44 N -1.74 4.49 -4.92 6.15 -0.08 -1.26 -5.05 116.55 114.14 1x64 n ASP 44 Ca 0.00 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.02 1x64 n ASP 44 Cb 0.00 0.80 0.03 0.00 2.34 0.00 0.00 41.12 44.29 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1x64 s LYS 45 N -2.10 2.95 0.09 -0.67 1.02 -1.26 -5.11 119.74 114.67 1x64 s LYS 45 Ca -0.01 -0.09 0.08 0.00 0.02 0.00 0.00 55.97 55.97 1x64 s LYS 45 Cb 0.01 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1x64 s LYS 45 CO 0.09 -0.62 -0.20 0.71 -0.92 0.00 0.00 175.35 174.40 1x64 s TYR 46 N -2.91 1.76 -0.10 3.18 1.51 -1.26 -2.86 117.35 116.66 1x64 s TYR 46 Ca 0.53 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 56.07 1x64 s TYR 46 Cb -0.10 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1x64 s TYR 46 CO 0.44 0.18 0.30 1.03 -1.11 0.00 0.00 175.55 176.39 1x64 s ARG 47 N -1.79 0.39 1.00 -0.62 1.81 0.20 -3.65 118.95 116.28 1x64 s ARG 47 Ca 0.06 0.34 -0.14 0.00 -1.72 0.00 0.00 55.73 54.28 1x64 s ARG 47 Cb -0.10 0.18 0.09 0.00 -0.45 0.00 0.00 34.95 34.67 1x64 s ARG 47 CO 0.04 -0.06 0.47 0.72 -0.68 0.00 0.00 175.30 175.79 1x64 n HIS 48 N 2.73 -1.11 0.47 -0.53 8.25 -1.26 0.20 115.22 123.97 1x64 n HIS 48 Ca -0.14 0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1x64 n HIS 48 Cb 0.58 -1.76 0.34 0.00 1.12 0.00 0.00 29.99 30.27 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 -2.38 0.04 -0.01 -0.41 -0.04 -1.26 -2.17 135.00 128.77 1x64 n PRO 49 Ca 0.06 0.29 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1x64 n PRO 49 Cb 0.55 -1.58 -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 -1.65 2.58 0.04 0.54 0.28 -1.26 -4.67 120.64 116.50 1x64 n GLU 50 Ca 0.03 -0.01 -0.09 0.00 -0.16 0.00 0.00 57.16 56.93 1x64 n GLU 50 Cb 0.18 -1.05 0.05 0.00 1.43 0.00 0.00 31.44 32.04 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 -3.87 1.22 -3.85 0.00 7.35 -0.92 -4.84 117.46 112.54 1x64 n PHE 52 Ca -0.04 0.22 -0.08 0.00 -0.76 0.00 0.00 57.45 56.80 1x64 n PHE 52 Cb 0.67 -2.54 -0.01 0.00 0.35 0.00 0.00 39.48 37.95 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 10.18 0.00 0.96 -2.13 -7.23 -1.26 -3.38 120.40 117.54 1x64 s VAL 53 Ca 1.12 -1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1x64 s VAL 53 Cb -0.64 -2.29 0.16 0.00 0.56 0.00 0.00 36.38 34.18 1x64 s VAL 53 CO 0.38 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.25 1x64 n ALA 55 N -4.12 2.46 -0.01 0.00 0.00 -1.19 -2.91 120.51 114.74 1x64 n ALA 55 Ca 0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1x64 n ALA 55 Cb 0.55 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N 1.05 3.81 -0.00 0.00 2.03 -1.26 -4.81 116.55 117.36 1x64 n ASP 56 Ca 0.11 -0.01 0.01 0.00 0.52 0.00 0.00 54.79 55.42 1x64 n ASP 56 Cb 0.47 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x64 n ASN 58 N -1.28 -3.90 -4.78 0.00 5.15 -1.14 -4.89 115.26 104.42 1x64 n ASN 58 Ca 0.00 -0.43 -0.39 0.00 -0.60 0.00 0.00 54.58 53.16 1x64 n ASN 58 Cb 0.04 -3.94 -0.06 0.00 -0.53 0.00 0.00 39.78 35.29 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x64 s LEU 59 N -5.55 4.44 -0.35 1.20 0.20 -1.26 -4.42 118.68 112.94 1x64 s LEU 59 Ca 0.25 1.15 -0.27 0.00 0.69 0.00 0.00 54.13 55.95 1x64 s LEU 59 Cb -0.11 -2.88 -0.06 0.00 -0.43 0.00 0.00 46.19 42.71 1x64 s LEU 59 CO 0.55 0.15 2.32 0.59 -0.29 0.00 0.00 176.35 179.67 1x64 n ASN 60 N 2.49 2.80 0.09 3.68 4.13 -1.26 -1.17 115.26 126.02 1x64 n ASN 60 Ca -0.08 -0.14 0.12 0.00 1.68 0.00 0.00 54.58 56.16 1x64 n ASN 60 Cb 0.51 -1.57 0.24 0.00 -1.54 0.00 0.00 39.78 37.42 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 17.28 0.00 -0.43 3.41 3.38 -1.87 -3.35 115.31 133.73 1x64 h LEU 61 Ca -0.33 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.56 1x64 h LEU 61 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1x64 h LEU 61 CO 1.06 0.06 -0.25 1.17 0.09 0.00 0.00 178.44 180.56 1x64 n LYS 62 N -2.25 -0.19 0.03 1.13 3.00 -1.26 -1.46 118.16 117.16 1x64 n LYS 62 Ca 0.04 1.11 -0.19 0.00 -0.00 0.00 0.00 58.31 59.27 1x64 n LYS 62 Cb 0.45 -1.65 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 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 0.69 -7.52 1.64 3.07 -1.97 -3.46 115.11 107.56 1x64 h GLN 63 Ca 0.07 -0.71 -0.42 0.00 0.09 0.00 0.00 58.65 57.68 1x64 h GLN 63 Cb 0.18 0.19 0.18 0.00 0.08 0.00 0.00 27.48 28.11 1x64 h GLN 63 CO -0.41 1.29 0.21 0.15 0.09 0.00 0.00 178.83 180.17 1x64 s LYS 64 N -3.39 -0.72 -0.64 0.06 1.02 -0.53 -4.95 119.74 110.59 1x64 s LYS 64 Ca -0.09 -0.17 -0.25 0.00 0.02 0.00 0.00 55.97 55.48 1x64 s LYS 64 Cb 0.07 -1.66 0.05 0.00 -0.52 0.00 0.00 37.83 35.77 1x64 s LYS 64 CO 0.91 -3.36 1.06 0.20 -0.92 0.00 0.00 175.35 173.25 1x64 s GLY 65 N -4.18 1.23 0.93 -3.33 0.00 -1.26 -4.81 107.32 95.90 1x64 s GLY 65 Ca 0.72 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 1x64 s GLY 65 CO 0.55 2.26 1.09 -2.52 0.00 0.00 0.00 173.10 174.49 1x64 s TYR 66 N 4.56 1.99 0.33 1.90 -0.85 -1.26 -3.84 117.35 120.18 1x64 s TYR 66 Ca 0.30 1.42 0.06 0.00 -0.52 0.00 0.00 57.07 58.34 1x64 s TYR 66 Cb -0.12 -3.18 -0.03 0.00 0.38 0.00 0.00 41.96 39.01 1x64 s TYR 66 CO 0.16 -2.69 0.23 -0.06 -1.52 0.00 0.00 175.55 171.67 1x64 s PHE 67 N -2.77 1.70 -0.27 -3.49 0.40 -1.08 -4.95 117.98 107.52 1x64 s PHE 67 Ca 0.65 -1.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1x64 s PHE 67 Cb -0.20 -0.80 0.14 0.00 0.51 0.00 0.00 43.02 42.67 1x64 s PHE 67 CO 0.58 -0.72 0.33 -0.06 0.70 0.00 0.00 175.22 176.05 1x64 s PHE 68 N -3.47 -0.63 -0.09 0.36 0.08 -1.26 -3.97 117.98 108.99 1x64 s PHE 68 Ca 0.37 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.56 1x64 s PHE 68 Cb 0.03 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.20 1x64 s PHE 68 CO 0.23 -0.87 -0.07 0.08 -0.10 0.00 0.00 175.22 174.49 1x64 s VAL 69 N 2.43 0.91 -1.43 -0.44 1.01 0.11 -4.79 120.40 118.20 1x64 s VAL 69 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1x64 s VAL 69 Cb -0.14 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.35 1x64 s VAL 69 CO -0.27 0.34 1.07 -0.62 0.00 0.00 0.00 175.10 175.62 1x64 n GLU 70 N 4.69 -6.73 -1.32 2.72 1.02 -1.26 -0.72 120.64 119.05 1x64 n GLU 70 Ca -0.15 0.72 -0.11 0.00 -0.02 0.00 0.00 57.16 57.60 1x64 n GLU 70 Cb 0.50 -5.68 -0.05 0.00 -0.02 0.00 0.00 31.44 26.19 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 -1.83 1.17 3.28 0.62 0.00 -1.26 -4.98 105.19 102.18 1x64 n GLY 71 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.77 1.12 0.31 1.61 2.56 0.10 -5.13 118.70 116.49 1x64 s GLU 72 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 54.97 53.70 1x64 s GLU 72 Cb 0.00 -1.22 -0.05 0.00 2.00 0.00 0.00 34.13 34.86 1x64 s GLU 72 CO 0.00 0.26 0.57 -0.51 -0.56 0.00 0.00 175.26 175.02 1x64 s LEU 73 N -2.21 4.03 0.07 2.70 1.43 -1.26 0.05 118.68 123.49 1x64 s LEU 73 Ca 0.09 0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 53.62 1x64 s LEU 73 Cb -0.08 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1x64 s LEU 73 CO 0.04 -0.23 0.64 -0.31 0.23 0.00 0.00 176.35 176.73 1x64 s TYR 74 N -2.14 -0.58 0.80 0.29 2.02 -1.25 -3.15 117.35 113.32 1x64 s TYR 74 Ca 0.44 0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 57.68 1x64 s TYR 74 Cb -0.11 0.50 0.07 0.00 -0.40 0.00 0.00 41.96 42.02 1x64 s TYR 74 CO 0.31 -0.74 1.11 0.00 -1.57 0.00 0.00 175.55 174.66 1x64 h GLU 76 N -1.08 0.53 0.00 0.00 4.81 -1.93 0.80 114.58 117.71 1x64 h GLU 76 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1x64 h GLU 76 Cb 1.28 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1x64 h GLU 76 CO 0.61 0.35 0.00 2.41 -0.73 0.00 0.00 179.01 181.65 1x64 n THR 77 N -4.66 0.00 0.21 0.32 -1.04 -1.26 -1.87 114.28 105.98 1x64 n THR 77 Ca 0.23 1.08 -0.15 0.00 -2.04 0.00 0.00 64.05 63.18 1x64 n THR 77 Cb 0.71 -2.05 -0.07 0.00 -1.82 0.00 0.00 70.33 67.09 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 -0.87 -0.63 -1.42 3.86 -1.89 -2.85 115.15 111.35 1x64 h HIS 78 Ca 0.00 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1x64 h HIS 78 Cb 0.00 0.34 -0.12 0.00 1.06 0.00 0.00 27.41 28.69 1x64 h HIS 78 CO 0.13 -0.46 -0.35 0.00 0.86 0.00 0.00 177.93 178.11 1x64 h ALA 79 N -0.15 -0.06 -0.96 2.45 0.00 0.47 0.25 119.26 121.26 1x64 h ALA 79 Ca -0.02 0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.34 1x64 h ALA 79 Cb 0.61 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 1x64 h ALA 79 CO -0.06 -0.69 0.46 0.00 0.00 0.00 0.00 179.25 178.96 1x64 h ARG 80 N -0.15 0.33 -0.14 0.00 3.08 -1.15 0.98 114.38 117.33 1x64 h ARG 80 Ca 0.24 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1x64 h ARG 80 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1x64 h ARG 80 CO -0.71 0.22 -0.25 0.00 -1.07 0.00 0.00 179.97 178.15 1x64 h ALA 81 N 1.80 1.33 0.00 0.04 0.00 -0.36 -2.29 119.26 119.78 1x64 h ALA 81 Ca 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1x64 h ALA 81 Cb 1.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1x64 h ALA 81 CO -0.59 0.46 -0.30 0.00 0.00 0.00 0.00 179.25 178.82 1x64 h ARG 82 N 0.22 0.00 -2.12 0.00 3.08 0.14 -3.42 114.38 112.28 1x64 h ARG 82 Ca 0.04 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.79 1x64 h ARG 82 Cb 0.57 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.29 1x64 h ARG 82 CO 0.04 0.00 -0.61 -0.08 -1.07 0.00 0.00 179.97 178.25 1x64 s THR 83 N -3.15 -0.44 -0.38 2.04 -1.32 0.72 -5.03 115.64 108.09 1x64 s THR 83 Ca 0.08 -0.39 -0.05 0.00 -1.21 0.00 0.00 61.69 60.12 1x64 s THR 83 Cb 0.12 -0.94 0.08 0.00 -1.51 0.00 0.00 72.50 70.25 1x64 s THR 83 CO 0.66 -0.39 0.16 -0.55 -2.21 0.00 0.00 174.62 172.29 1x64 s SER 84 N 2.39 5.29 0.00 8.08 0.15 -1.18 -4.42 113.70 124.02 1x64 s SER 84 Ca 0.09 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.18 1x64 s SER 84 Cb -0.14 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1x64 s SER 84 CO -0.29 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x64 n GLY 85 N 4.73 0.56 3.76 9.45 0.00 -1.26 -5.13 105.19 117.30 1x64 n GLY 85 Ca -0.09 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.46 1.23 1.61 0.04 -1.26 -5.01 135.00 136.06 1x64 s PRO 86 Ca 0.00 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 1x64 s PRO 86 Cb 0.00 -3.12 0.26 0.00 0.04 0.00 0.00 34.50 31.67 1x64 s PRO 86 CO 0.00 -0.05 0.61 -1.13 0.04 0.00 0.00 177.00 176.47 1x64 n SER 87 N 1.07 -2.75 -0.08 6.66 3.41 -1.26 -4.99 113.62 115.67 1x64 n SER 87 Ca 0.00 -0.38 -0.11 0.00 -0.26 0.00 0.00 58.87 58.11 1x64 n SER 87 Cb 0.43 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.28 1x64 n SER 87 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1x64 h SER 88 N -2.80 0.00 0.00 4.04 0.87 -2.00 -3.53 113.55 110.12 1x64 h SER 88 Ca -0.50 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 1x64 h SER 88 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1x64 h SER 88 CO 0.36 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.31