#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 -0.62 0.03 1.61 0.01 -1.26 -5.18 113.70 108.29 1x64 s SER 2 Ca 0.00 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.50 1x64 s SER 2 Cb 0.00 0.55 0.09 0.00 0.21 0.00 0.00 66.02 66.87 1x64 s SER 2 CO 0.00 -0.70 0.77 -0.55 0.41 0.00 0.00 173.24 173.17 1x64 s SER 3 N -1.60 -0.48 -0.15 2.44 0.15 -1.26 -5.19 113.70 107.62 1x64 s SER 3 Ca -0.08 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 1x64 s SER 3 Cb -0.00 0.47 0.13 0.00 -1.71 0.00 0.00 66.02 64.91 1x64 s SER 3 CO 0.04 -0.71 1.03 -0.83 1.20 0.00 0.00 173.24 173.97 1x64 s GLY 4 N -2.22 -0.26 0.17 9.45 0.00 -1.26 -5.18 107.32 108.02 1x64 s GLY 4 Ca 0.00 1.96 -0.20 0.00 0.00 0.00 0.00 44.72 46.48 1x64 s GLY 4 CO -0.06 0.93 0.56 -0.45 0.00 0.00 0.00 173.10 174.08 1x64 s SER 5 N -1.31 -0.41 0.14 1.64 0.15 -1.26 -5.19 113.70 107.47 1x64 s SER 5 Ca 0.00 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.24 1x64 s SER 5 Cb -0.01 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1x64 s SER 5 CO -0.01 -1.00 0.48 -0.94 1.20 0.00 0.00 173.24 172.97 1x64 s SER 6 N -2.80 -0.35 0.30 5.45 1.04 -1.26 -5.19 113.70 110.89 1x64 s SER 6 Ca 0.04 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1x64 s SER 6 Cb -0.01 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1x64 s SER 6 CO -0.09 -0.90 0.17 -0.83 0.98 0.00 0.00 173.24 172.57 1x64 s GLY 7 N -2.79 2.05 -0.10 7.32 0.00 -1.26 -5.16 107.32 107.38 1x64 s GLY 7 Ca 0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 1x64 s GLY 7 CO -0.12 -1.55 0.20 0.54 0.00 0.00 0.00 173.10 172.17 1x64 s VAL 8 N -3.63 -0.27 -0.20 1.40 0.11 -1.26 -5.14 120.40 111.41 1x64 s VAL 8 Ca 0.36 0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 59.62 1x64 s VAL 8 Cb 0.05 -0.34 0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1x64 s VAL 8 CO 0.18 0.13 0.46 -0.13 -3.33 0.00 0.00 175.10 172.41 1x64 s ARG 9 N 2.15 0.43 -0.28 1.54 3.00 -1.26 -5.13 118.95 119.40 1x64 s ARG 9 Ca 0.00 0.94 -0.01 0.00 0.00 0.00 0.00 55.73 56.66 1x64 s ARG 9 Cb -0.12 0.12 0.09 0.00 0.00 0.00 0.00 34.95 35.04 1x64 s ARG 9 CO -0.07 -0.18 0.07 0.00 0.00 0.00 0.00 175.30 175.13 1x64 s ALA 10 N 1.78 1.44 0.68 2.13 0.00 -1.26 -5.13 121.76 121.40 1x64 s ALA 10 Ca -0.08 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1x64 s ALA 10 Cb -0.09 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.53 1x64 s ALA 10 CO -0.14 -1.53 1.11 -1.25 0.00 0.00 0.00 175.76 173.95 1x64 s PRO 11 N 1.66 2.70 -0.22 0.00 0.04 -1.26 -5.07 135.00 132.85 1x64 s PRO 11 Ca 0.06 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1x64 s PRO 11 Cb -0.17 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1x64 s PRO 11 CO -0.20 -1.32 0.50 0.14 0.04 0.00 0.00 177.00 176.15 1x64 s VAL 12 N -2.44 -0.48 0.07 -0.36 -7.23 -1.26 -5.16 120.40 103.54 1x64 s VAL 12 Ca 0.66 0.09 -0.24 0.00 -1.81 0.00 0.00 61.98 60.68 1x64 s VAL 12 Cb -0.20 -0.77 0.06 0.00 0.56 0.00 0.00 36.38 36.04 1x64 s VAL 12 CO 0.44 0.04 0.58 0.28 -0.31 0.00 0.00 175.10 176.13 1x64 s THR 13 N 2.25 0.02 1.04 5.32 -1.32 -1.26 -5.16 115.64 116.53 1x64 s THR 13 Ca -0.06 -0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.17 1x64 s THR 13 Cb -0.10 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.05 1x64 s THR 13 CO -0.15 -0.07 0.74 2.29 -2.21 0.00 0.00 174.62 175.22 1x64 n LYS 14 N 0.19 -1.27 -4.26 7.08 0.00 -1.26 -5.02 118.16 113.62 1x64 n LYS 14 Ca -0.18 -0.33 -0.31 0.00 -0.00 0.00 0.00 58.31 57.50 1x64 n LYS 14 Cb 0.62 -2.08 -0.09 0.00 -0.00 0.00 0.00 35.03 33.48 1x64 n LYS 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1x64 s VAL 15 N -2.44 3.75 -0.04 0.58 1.01 -1.26 -5.10 120.40 116.90 1x64 s VAL 15 Ca 0.63 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1x64 s VAL 15 Cb -0.21 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1x64 s VAL 15 CO 0.64 0.22 0.95 -2.28 0.00 0.00 0.00 175.10 174.63 1x64 s HIS 16 N -1.18 3.60 0.00 5.22 2.46 -1.26 -5.05 115.29 119.09 1x64 s HIS 16 Ca 0.22 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.36 1x64 s HIS 16 Cb -0.11 -3.10 0.00 0.00 -0.13 0.00 0.00 32.58 29.23 1x64 s HIS 16 CO 0.13 -0.07 0.00 0.41 -2.47 0.00 0.00 174.74 172.75 1x64 n GLY 17 N 2.99 2.61 0.00 1.59 0.00 -1.26 -5.14 105.19 105.98 1x64 n GLY 17 Ca 0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 5.00 1.84 3.73 -0.02 0.00 -1.26 -5.14 105.19 109.33 1x64 n GLY 18 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 3.25 0.00 4.61 0.00 -1.26 -4.91 121.76 123.45 1x64 s ALA 19 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1x64 s ALA 19 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1x64 s ALA 19 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1x64 n GLY 20 N 2.44 3.68 3.44 0.00 0.00 -1.26 -5.16 105.19 108.33 1x64 n GLY 20 Ca 0.02 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 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 3.32 0.35 1.61 0.01 -1.26 -5.16 113.70 112.57 1x64 s SER 21 Ca 0.00 -1.03 0.09 0.00 1.31 0.00 0.00 55.95 56.32 1x64 s SER 21 Cb 0.00 -0.26 -0.06 0.00 0.21 0.00 0.00 66.02 65.91 1x64 s SER 21 CO 0.00 -0.02 -0.05 0.00 0.41 0.00 0.00 173.24 173.58 1x64 s ALA 22 N -2.63 3.05 0.84 1.44 0.00 -1.26 -5.12 121.76 118.09 1x64 s ALA 22 Ca 0.28 -2.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 1x64 s ALA 22 Cb -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1x64 s ALA 22 CO 0.13 0.05 0.55 0.94 0.00 0.00 0.00 175.76 177.43 1x64 n GLN 23 N -0.86 0.01 -2.32 0.00 0.00 -1.26 -4.86 117.38 108.09 1x64 n GLN 23 Ca -0.05 0.05 -0.43 0.00 -0.00 0.00 0.00 57.00 56.58 1x64 n GLN 23 Cb 0.64 -1.92 -0.02 0.00 0.00 0.00 0.00 30.24 28.94 1x64 n GLN 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1x64 s ARG 24 N -3.34 3.75 0.02 3.69 1.81 -1.26 -4.99 118.95 118.63 1x64 s ARG 24 Ca 0.62 1.22 -0.00 0.00 -1.72 0.00 0.00 55.73 55.86 1x64 s ARG 24 Cb -0.28 -3.97 -0.02 0.00 -0.45 0.00 0.00 34.95 30.23 1x64 s ARG 24 CO 0.62 -1.33 -0.03 0.00 -0.68 0.00 0.00 175.30 173.87 1x64 s MET 25 N 4.58 0.34 0.37 3.54 0.23 -1.26 -5.15 119.30 121.95 1x64 s MET 25 Ca 0.62 -0.67 -0.27 0.00 -1.03 0.00 0.00 55.69 54.34 1x64 s MET 25 Cb -0.17 0.11 -0.09 0.00 -1.53 0.00 0.00 34.83 33.14 1x64 s MET 25 CO 0.28 -0.05 1.20 -1.25 -2.03 0.00 0.00 175.02 173.17 1x64 s PRO 26 N -1.68 4.19 -0.26 3.16 0.04 -1.26 -4.83 135.00 134.36 1x64 s PRO 26 Ca -0.14 1.95 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1x64 s PRO 26 Cb -0.08 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1x64 s PRO 26 CO -0.02 -0.24 0.16 -1.17 0.04 0.00 0.00 177.00 175.78 1x64 s LEU 27 N -2.19 4.00 -0.23 -3.56 1.98 -1.26 -2.32 118.68 115.10 1x64 s LEU 27 Ca 0.54 0.03 -0.36 0.00 -2.89 0.00 0.00 54.13 51.44 1x64 s LEU 27 Cb -0.34 -2.09 -0.12 0.00 0.66 0.00 0.00 46.19 44.30 1x64 s LEU 27 CO 0.43 0.01 1.96 0.00 -1.89 0.00 0.00 176.35 176.86 1x64 n ASP 29 N 7.57 0.00 -0.10 0.00 8.00 -1.21 0.59 116.55 131.40 1x64 n ASP 29 Ca 0.30 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.77 1x64 n ASP 29 Cb 0.24 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N -0.91 0.53 -0.29 -1.24 3.00 -1.26 -4.64 118.16 113.35 1x64 n LYS 30 Ca 0.15 0.29 0.07 0.00 -0.00 0.00 0.00 58.31 58.82 1x64 n LYS 30 Cb 0.07 -1.50 0.21 0.00 0.00 0.00 0.00 35.03 33.81 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 0.41 -0.18 3.03 0.00 0.00 0.20 -4.92 105.19 103.73 1x64 n GLY 32 Ca 0.16 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.11 2.51 0.17 1.61 0.01 -1.24 -4.86 113.70 107.80 1x64 s SER 33 Ca 0.19 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 1x64 s SER 33 Cb -0.11 -1.10 -0.11 0.00 0.21 0.00 0.00 66.02 64.91 1x64 s SER 33 CO 0.99 -0.02 0.25 0.61 0.41 0.00 0.00 173.24 175.48 1x64 n GLY 34 N 4.49 -1.32 3.33 3.44 0.00 -1.26 -3.34 105.19 110.53 1x64 n GLY 34 Ca -0.18 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.78 3.19 -0.17 -0.61 1.01 -0.98 -4.82 121.20 118.04 1x64 s ILE 35 Ca 0.41 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 1x64 s ILE 35 Cb -0.55 -2.40 0.08 0.00 0.01 0.00 0.00 42.46 39.60 1x64 s ILE 35 CO 0.38 0.47 0.26 -0.69 0.00 0.00 0.00 174.94 175.36 1x64 s VAL 36 N 0.99 -0.40 0.00 2.92 1.01 -1.26 -4.49 120.40 119.17 1x64 s VAL 36 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1x64 s VAL 36 Cb -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1x64 s VAL 36 CO -0.01 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1x64 n GLY 37 N 5.34 2.54 2.78 4.51 0.00 -1.26 -5.02 105.19 114.08 1x64 n GLY 37 Ca -0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 0.45 0.17 4.61 0.00 -1.26 -5.15 121.76 120.58 1x64 s ALA 38 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1x64 s ALA 38 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1x64 s ALA 38 CO 0.00 -0.29 -0.06 0.54 0.00 0.00 0.00 175.76 175.95 1x64 s VAL 39 N 1.59 1.04 -0.28 0.00 0.11 -1.26 -4.19 120.40 117.40 1x64 s VAL 39 Ca -0.02 -2.04 -0.02 0.00 -2.93 0.00 0.00 61.98 56.98 1x64 s VAL 39 Cb -0.13 -1.99 0.09 0.00 -1.53 0.00 0.00 36.38 32.82 1x64 s VAL 39 CO -0.03 -0.62 0.09 -0.69 -3.33 0.00 0.00 175.10 170.52 1x64 s VAL 40 N -3.41 0.56 -0.21 2.04 1.01 0.37 -4.80 120.40 115.96 1x64 s VAL 40 Ca 0.20 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1x64 s VAL 40 Cb 0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1x64 s VAL 40 CO 0.03 -0.60 0.01 -0.75 0.00 0.00 0.00 175.10 173.78 1x64 s LYS 41 N 1.79 3.62 0.00 2.72 2.20 -1.26 0.54 119.74 129.35 1x64 s LYS 41 Ca 0.07 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1x64 s LYS 41 Cb -0.17 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1x64 s LYS 41 CO -0.25 -0.01 0.00 0.00 -0.36 0.00 0.00 175.35 174.73 1x64 n ALA 42 N 4.31 0.00 -0.79 3.13 0.00 -1.17 -4.95 120.51 121.05 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 0.52 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 -0.46 0.00 -0.00 0.00 0.63 -1.26 -4.94 116.66 110.63 1x64 n ARG 43 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1x64 n ARG 43 Cb 0.00 -0.14 -0.00 0.00 0.45 0.00 0.00 32.46 32.76 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 -1.64 4.89 -4.92 6.15 -0.08 -1.26 -5.05 116.55 114.64 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 0.84 0.04 0.00 2.34 0.00 0.00 41.12 44.34 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 -2.02 2.66 0.06 -0.67 1.02 -1.26 -5.10 119.74 114.43 1x64 s LYS 45 Ca -0.00 -0.10 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1x64 s LYS 45 Cb 0.00 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1x64 s LYS 45 CO 0.02 -0.90 -0.16 0.71 -0.92 0.00 0.00 175.35 174.10 1x64 s TYR 46 N -3.08 1.41 -0.06 3.18 1.51 -1.26 -3.02 117.35 116.02 1x64 s TYR 46 Ca 0.56 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 56.11 1x64 s TYR 46 Cb -0.11 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1x64 s TYR 46 CO 0.45 0.08 0.25 1.03 -1.11 0.00 0.00 175.55 176.26 1x64 s ARG 47 N -1.51 0.43 1.00 -0.62 1.81 0.19 -3.33 118.95 116.92 1x64 s ARG 47 Ca 0.02 0.09 -0.13 0.00 -1.72 0.00 0.00 55.73 53.99 1x64 s ARG 47 Cb -0.09 0.20 0.11 0.00 -0.45 0.00 0.00 34.95 34.72 1x64 s ARG 47 CO 0.02 -0.09 0.64 0.72 -0.68 0.00 0.00 175.30 175.91 1x64 n HIS 48 N 2.24 -0.76 0.46 -0.53 8.25 -1.26 0.14 115.22 123.76 1x64 n HIS 48 Ca -0.17 0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.59 1x64 n HIS 48 Cb 0.57 -1.80 0.36 0.00 1.12 0.00 0.00 29.99 30.25 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 -2.94 0.06 -0.01 -0.41 -0.04 -1.26 -2.21 135.00 128.19 1x64 n PRO 49 Ca 0.07 0.31 -0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1x64 n PRO 49 Cb 0.55 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.74 2.10 0.06 0.54 0.28 -1.26 -4.66 120.64 115.97 1x64 n GLU 50 Ca 0.03 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 1x64 n GLU 50 Cb 0.19 -1.06 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 -3.82 1.30 -3.84 0.00 7.35 -0.94 -4.84 117.46 112.66 1x64 n PHE 52 Ca -0.04 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.80 1x64 n PHE 52 Cb 0.70 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 37.97 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 9.81 0.00 1.05 -2.13 -7.23 -1.26 -3.13 120.40 117.51 1x64 s VAL 53 Ca 1.11 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 1x64 s VAL 53 Cb -0.65 -2.14 0.22 0.00 0.56 0.00 0.00 36.38 34.37 1x64 s VAL 53 CO 0.39 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 176.25 1x64 n ALA 55 N -4.43 3.70 -0.08 0.00 0.00 -1.19 -2.94 120.51 115.58 1x64 n ALA 55 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1x64 n ALA 55 Cb 0.56 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.02 2.78 -0.00 0.00 -0.08 -1.26 -4.74 116.55 112.24 1x64 n ASP 56 Ca 0.04 -0.08 0.01 0.00 -1.51 0.00 0.00 54.79 53.25 1x64 n ASP 56 Cb 0.25 -0.19 -0.01 0.00 2.34 0.00 0.00 41.12 43.51 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x64 n ASN 58 N -1.26 -4.16 -4.83 0.00 5.15 -1.15 -4.89 115.26 104.13 1x64 n ASN 58 Ca 0.00 -0.46 -0.38 0.00 -0.60 0.00 0.00 54.58 53.14 1x64 n ASN 58 Cb 0.04 -4.21 -0.06 0.00 -0.53 0.00 0.00 39.78 35.02 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 -5.89 4.49 -0.25 1.20 2.96 -1.26 -4.37 118.68 115.55 1x64 s LEU 59 Ca 0.29 1.08 -0.35 0.00 -0.22 0.00 0.00 54.13 54.93 1x64 s LEU 59 Cb -0.13 -2.72 -0.11 0.00 0.50 0.00 0.00 46.19 43.73 1x64 s LEU 59 CO 0.59 0.30 2.05 0.59 -1.32 0.00 0.00 176.35 178.57 1x64 n ASN 60 N 1.75 2.68 -1.37 3.68 5.03 -1.26 -0.64 115.26 125.13 1x64 n ASN 60 Ca -0.12 0.62 0.11 0.00 0.87 0.00 0.00 54.58 56.06 1x64 n ASN 60 Cb 0.52 -1.31 0.32 0.00 -1.02 0.00 0.00 39.78 38.29 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1x64 n LEU 61 N 8.64 4.00 0.05 3.41 4.77 -1.18 -4.26 117.00 132.43 1x64 n LEU 61 Ca 0.33 -2.00 -0.02 0.00 -0.03 0.00 0.00 56.01 54.28 1x64 n LEU 61 Cb 0.26 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1x64 n LEU 61 CO 0.75 0.92 0.45 0.50 -1.33 0.00 0.00 177.39 178.68 1x64 h LYS 62 N 4.15 -0.13 0.08 3.23 1.63 -1.88 -3.35 116.57 120.30 1x64 h LYS 62 Ca 0.00 0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.53 1x64 h LYS 62 Cb 1.05 0.03 0.02 0.00 -0.60 0.00 0.00 32.23 32.73 1x64 h LYS 62 CO 0.05 -0.09 -1.15 -0.56 -3.45 0.00 0.00 179.45 174.25 1x64 h GLN 63 N -0.14 0.58 -6.87 1.90 3.07 -1.98 -3.45 115.11 108.20 1x64 h GLN 63 Ca -0.01 -0.73 -0.51 0.00 0.09 0.00 0.00 58.65 57.49 1x64 h GLN 63 Cb 0.10 0.23 0.04 0.00 0.08 0.00 0.00 27.48 27.94 1x64 h GLN 63 CO 0.02 1.31 0.54 0.15 0.09 0.00 0.00 178.83 180.94 1x64 s LYS 64 N -3.08 4.36 -0.41 0.06 1.02 -1.26 -4.88 119.74 115.56 1x64 s LYS 64 Ca -0.08 1.95 -0.32 0.00 0.02 0.00 0.00 55.97 57.53 1x64 s LYS 64 Cb 0.07 -2.99 -0.11 0.00 -0.52 0.00 0.00 37.83 34.28 1x64 s LYS 64 CO 0.92 -0.08 2.28 0.41 -0.92 0.00 0.00 175.35 177.95 1x64 n GLY 65 N 0.88 0.42 3.67 -3.33 0.00 -1.26 -4.69 105.19 100.87 1x64 n GLY 65 Ca 0.01 0.89 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 1x64 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x64 s TYR 66 N 8.40 1.73 0.23 1.61 1.13 -1.26 -3.67 117.35 125.52 1x64 s TYR 66 Ca 1.09 0.84 -0.05 0.00 -1.41 0.00 0.00 57.07 57.53 1x64 s TYR 66 Cb -0.72 -3.34 -0.02 0.00 -1.10 0.00 0.00 41.96 36.78 1x64 s TYR 66 CO 0.43 -3.13 0.28 -0.06 -2.51 0.00 0.00 175.55 170.56 1x64 s PHE 67 N -3.01 0.88 -0.27 -3.49 0.40 -1.02 -4.90 117.98 106.57 1x64 s PHE 67 Ca 0.67 -1.14 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1x64 s PHE 67 Cb -0.16 -0.27 0.11 0.00 0.51 0.00 0.00 43.02 43.21 1x64 s PHE 67 CO 0.57 -0.80 0.19 -0.06 0.70 0.00 0.00 175.22 175.82 1x64 s PHE 68 N -4.04 -0.02 -0.14 0.36 0.08 -1.26 -3.55 117.98 109.42 1x64 s PHE 68 Ca 0.33 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.91 1x64 s PHE 68 Cb 0.04 -0.68 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 1x64 s PHE 68 CO 0.12 -0.80 -0.13 0.08 -0.10 0.00 0.00 175.22 174.38 1x64 s VAL 69 N 2.21 1.47 -1.37 -0.44 1.01 0.13 -4.78 120.40 118.64 1x64 s VAL 69 Ca 0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1x64 s VAL 69 Cb -0.15 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1x64 s VAL 69 CO -0.30 0.44 0.77 -0.62 0.00 0.00 0.00 175.10 175.38 1x64 n GLU 70 N 4.72 -5.04 -2.71 2.72 1.02 -1.26 -1.15 120.64 118.93 1x64 n GLU 70 Ca -0.17 0.61 -0.21 0.00 -0.02 0.00 0.00 57.16 57.38 1x64 n GLU 70 Cb 0.50 -5.24 0.01 0.00 -0.02 0.00 0.00 31.44 26.70 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 -1.63 -0.46 3.02 0.62 0.00 -1.26 -4.99 105.19 100.49 1x64 n GLY 71 Ca -0.21 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.35 0.38 0.29 1.61 2.12 -0.30 -5.15 118.70 112.30 1x64 s GLU 72 Ca 0.16 -0.63 -0.07 0.00 0.36 0.00 0.00 54.97 54.79 1x64 s GLU 72 Cb -0.07 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 1x64 s GLU 72 CO 0.20 -0.07 0.59 -0.51 -0.54 0.00 0.00 175.26 174.92 1x64 s LEU 73 N -1.61 4.05 0.09 2.70 1.43 -1.26 0.22 118.68 124.30 1x64 s LEU 73 Ca -0.13 0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 53.56 1x64 s LEU 73 Cb -0.08 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1x64 s LEU 73 CO -0.01 -0.20 0.56 -0.31 0.23 0.00 0.00 176.35 176.61 1x64 s TYR 74 N -2.07 -0.47 0.58 0.29 2.02 -1.23 -3.16 117.35 113.30 1x64 s TYR 74 Ca 0.46 0.43 -0.13 0.00 -0.37 0.00 0.00 57.07 57.46 1x64 s TYR 74 Cb -0.11 0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 41.82 1x64 s TYR 74 CO 0.28 -0.72 1.00 0.00 -1.57 0.00 0.00 175.55 174.54 1x64 h GLU 76 N 0.13 0.25 0.00 0.00 4.81 -1.91 0.64 114.58 118.50 1x64 h GLU 76 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1x64 h GLU 76 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x64 h GLU 76 CO 0.62 0.16 0.00 2.41 -0.73 0.00 0.00 179.01 181.47 1x64 n THR 77 N -4.83 0.00 0.24 0.32 -1.04 -1.26 -1.64 114.28 106.07 1x64 n THR 77 Ca 0.32 1.24 -0.16 0.00 -2.04 0.00 0.00 64.05 63.42 1x64 n THR 77 Cb 1.11 -2.24 -0.08 0.00 -1.82 0.00 0.00 70.33 67.30 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 -0.95 -0.67 -1.42 3.86 -1.78 -2.54 115.15 111.64 1x64 h HIS 78 Ca 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1x64 h HIS 78 Cb 0.00 0.37 -0.12 0.00 1.06 0.00 0.00 27.41 28.72 1x64 h HIS 78 CO 0.17 -0.50 -0.40 0.00 0.86 0.00 0.00 177.93 178.05 1x64 h ALA 79 N -0.31 -0.17 -0.90 2.45 0.00 0.12 0.29 119.26 120.75 1x64 h ALA 79 Ca -0.03 0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.22 1x64 h ALA 79 Cb 0.67 0.93 -0.11 0.00 0.00 0.00 0.00 17.79 19.28 1x64 h ALA 79 CO -0.04 -0.75 0.45 0.00 0.00 0.00 0.00 179.25 178.90 1x64 h ARG 80 N -0.16 0.53 -0.61 0.00 3.08 -1.12 0.40 114.38 116.49 1x64 h ARG 80 Ca 0.22 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1x64 h ARG 80 Cb 0.56 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1x64 h ARG 80 CO -0.75 0.35 0.23 0.00 -1.07 0.00 0.00 179.97 178.73 1x64 h ALA 81 N 1.64 0.79 0.37 0.04 0.00 -0.06 0.71 119.26 122.76 1x64 h ALA 81 Ca 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1x64 h ALA 81 Cb 0.90 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x64 h ALA 81 CO -0.44 0.42 -0.18 0.00 0.00 0.00 0.00 179.25 179.05 1x64 h ARG 82 N 0.85 -0.48 -0.71 0.00 3.08 0.48 -3.22 114.38 114.37 1x64 h ARG 82 Ca 0.20 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1x64 h ARG 82 Cb 0.22 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1x64 h ARG 82 CO -0.01 -0.32 0.00 -2.37 -1.07 0.00 0.00 179.97 176.19 1x64 n THR 83 N -4.73 0.18 -0.26 2.04 5.66 0.12 -4.42 114.28 112.86 1x64 n THR 83 Ca -0.06 -0.10 0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1x64 n THR 83 Cb 0.20 -0.33 0.17 0.00 -1.55 0.00 0.00 70.33 68.81 1x64 n THR 83 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1x64 n SER 84 N -0.06 -0.17 -4.15 1.09 3.41 0.25 -2.18 113.62 111.80 1x64 n SER 84 Ca 0.02 1.27 -0.38 0.00 -0.26 0.00 0.00 58.87 59.52 1x64 n SER 84 Cb 0.25 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1x64 n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x64 s GLY 85 N -4.18 2.90 1.12 5.00 0.00 -1.26 -5.03 107.32 105.86 1x64 s GLY 85 Ca -0.10 -3.63 -0.16 0.00 0.00 0.00 0.00 44.72 40.82 1x64 s GLY 85 CO 0.58 1.19 1.10 2.56 0.00 0.00 0.00 173.10 178.54 1x64 s PRO 86 N -0.83 -0.54 -0.19 2.90 0.04 -0.93 -5.00 135.00 130.46 1x64 s PRO 86 Ca 0.24 0.17 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 1x64 s PRO 86 Cb -0.11 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1x64 s PRO 86 CO -0.09 -3.31 0.70 -1.12 0.04 0.00 0.00 177.00 173.23 1x64 s SER 87 N -3.71 6.79 0.10 6.66 0.01 -1.26 -4.98 113.70 117.31 1x64 s SER 87 Ca 0.69 0.96 -0.35 0.00 1.31 0.00 0.00 55.95 58.56 1x64 s SER 87 Cb -0.14 -2.39 -0.15 0.00 0.21 0.00 0.00 66.02 63.56 1x64 s SER 87 CO 0.57 -0.32 1.55 0.77 0.41 0.00 0.00 173.24 176.22 1x64 h SER 88 N 7.42 -1.59 0.00 2.44 4.64 -2.05 -3.56 113.55 120.86 1x64 h SER 88 Ca -0.31 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1x64 h SER 88 Cb 1.14 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1x64 h SER 88 CO 0.80 -0.57 0.00 0.61 -0.87 0.00 0.00 176.83 176.80