#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 n SER 2 N 0.00 1.94 -3.96 1.61 7.64 -1.26 -5.00 113.62 114.59 1x64 n SER 2 Ca 0.00 0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.93 1x64 n SER 2 Cb 0.00 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 62.36 1x64 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x64 n SER 3 N -4.30 -4.37 -5.01 6.43 3.41 -1.26 -4.96 113.62 103.56 1x64 n SER 3 Ca -0.49 -0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 57.09 1x64 n SER 3 Cb 0.84 -3.70 0.05 0.00 -0.26 0.00 0.00 64.21 61.14 1x64 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x64 s GLY 4 N -3.36 1.84 -0.03 5.00 0.00 -1.26 -5.14 107.32 104.36 1x64 s GLY 4 Ca 0.64 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 1x64 s GLY 4 CO 0.85 -1.75 0.24 -0.45 0.00 0.00 0.00 173.10 171.99 1x64 s SER 5 N -4.61 -0.15 0.30 1.64 0.15 -1.26 -5.18 113.70 104.60 1x64 s SER 5 Ca 0.57 0.13 0.03 0.00 0.70 0.00 0.00 55.95 57.38 1x64 s SER 5 Cb -0.05 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1x64 s SER 5 CO 0.36 -0.31 0.14 -0.94 1.20 0.00 0.00 173.24 173.68 1x64 s SER 6 N -0.89 1.58 0.00 5.45 1.04 -1.26 -5.16 113.70 114.45 1x64 s SER 6 Ca -0.10 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1x64 s SER 6 Cb -0.05 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1x64 s SER 6 CO 0.02 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1x64 n GLY 7 N -0.58 0.73 3.26 7.32 0.00 -1.26 -5.18 105.19 109.48 1x64 n GLY 7 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 0.02 -0.20 1.61 0.11 -1.26 -5.15 120.40 115.53 1x64 s VAL 8 Ca 0.00 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1x64 s VAL 8 Cb 0.00 -0.57 0.10 0.00 -1.53 0.00 0.00 36.38 34.38 1x64 s VAL 8 CO 0.00 -0.09 0.30 -0.13 -3.33 0.00 0.00 175.10 171.86 1x64 s ARG 9 N -0.36 0.25 -0.32 1.54 0.52 -1.26 -5.12 118.95 114.20 1x64 s ARG 9 Ca -0.05 0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.70 1x64 s ARG 9 Cb -0.03 -0.57 0.09 0.00 0.52 0.00 0.00 34.95 34.96 1x64 s ARG 9 CO 0.02 -0.54 0.02 0.00 0.02 0.00 0.00 175.30 174.82 1x64 s ALA 10 N 2.45 2.81 1.11 2.13 0.00 -1.26 -5.11 121.76 123.88 1x64 s ALA 10 Ca 0.07 -2.37 -0.16 0.00 0.00 0.00 0.00 51.96 49.51 1x64 s ALA 10 Cb -0.15 -1.89 0.24 0.00 0.00 0.00 0.00 23.12 21.33 1x64 s ALA 10 CO -0.13 -1.59 1.10 -1.25 0.00 0.00 0.00 175.76 173.90 1x64 s PRO 11 N 0.95 -0.47 0.05 0.00 0.04 -1.26 -5.09 135.00 129.23 1x64 s PRO 11 Ca 0.07 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.32 1x64 s PRO 11 Cb -0.19 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1x64 s PRO 11 CO -0.08 -3.27 -0.06 0.14 0.04 0.00 0.00 177.00 173.78 1x64 s VAL 12 N -2.99 0.46 0.02 -0.36 -7.23 -1.26 -5.17 120.40 103.87 1x64 s VAL 12 Ca 0.68 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1x64 s VAL 12 Cb -0.14 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 1x64 s VAL 12 CO 0.57 -0.61 -0.03 0.28 -0.31 0.00 0.00 175.10 175.00 1x64 s THR 13 N -2.29 0.15 0.17 5.32 -1.32 -1.26 -5.16 115.64 111.24 1x64 s THR 13 Ca -0.03 -0.68 0.11 0.00 -1.21 0.00 0.00 61.69 59.87 1x64 s THR 13 Cb -0.04 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 1x64 s THR 13 CO -0.02 -0.33 -0.23 -0.54 -2.21 0.00 0.00 174.62 171.28 1x64 s LYS 14 N -1.06 1.58 -0.09 7.08 -0.14 -1.26 -5.14 119.74 120.70 1x64 s LYS 14 Ca -0.11 -1.42 -0.07 0.00 -1.36 0.00 0.00 55.97 53.02 1x64 s LYS 14 Cb -0.07 -1.92 0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1x64 s LYS 14 CO -0.01 0.43 0.22 0.08 -0.76 0.00 0.00 175.35 175.31 1x64 s VAL 15 N -1.46 -0.02 -0.03 3.17 1.01 -1.26 -5.15 120.40 116.67 1x64 s VAL 15 Ca 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1x64 s VAL 15 Cb -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.99 1x64 s VAL 15 CO 0.09 0.02 0.05 -2.28 0.00 0.00 0.00 175.10 172.98 1x64 s HIS 16 N 0.54 0.01 0.00 5.22 5.04 -1.26 -5.14 115.29 119.70 1x64 s HIS 16 Ca -0.03 0.18 0.00 0.00 -1.54 0.00 0.00 55.06 53.66 1x64 s HIS 16 Cb -0.05 -0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.34 1x64 s HIS 16 CO -0.03 -0.10 0.00 0.41 -2.34 0.00 0.00 174.74 172.68 1x64 n GLY 17 N 4.25 1.64 3.44 1.59 0.00 -1.26 -5.17 105.19 109.68 1x64 n GLY 17 Ca -0.26 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1x64 n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x64 s GLY 18 N 0.00 -0.44 0.00 -0.02 0.00 -1.26 -5.16 107.32 100.44 1x64 s GLY 18 Ca 0.00 1.77 0.05 0.00 0.00 0.00 0.00 44.72 46.54 1x64 s GLY 18 CO 0.00 1.72 -0.16 0.00 0.00 0.00 0.00 173.10 174.66 1x64 s ALA 19 N 0.98 1.31 0.00 3.20 0.00 -1.26 -5.02 121.76 120.97 1x64 s ALA 19 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1x64 s ALA 19 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1x64 s ALA 19 CO -0.09 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.39 1x64 n GLY 20 N 2.45 -1.05 3.20 0.00 0.00 -1.26 -5.13 105.19 103.41 1x64 n GLY 20 Ca -0.15 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.00 -0.31 0.13 1.61 0.01 -1.26 -5.17 113.70 104.71 1x64 s SER 21 Ca 0.00 0.57 -0.26 0.00 1.31 0.00 0.00 55.95 57.58 1x64 s SER 21 Cb 0.00 0.61 0.07 0.00 0.21 0.00 0.00 66.02 66.91 1x64 s SER 21 CO 0.00 -0.14 1.01 0.00 0.41 0.00 0.00 173.24 174.51 1x64 s ALA 22 N 0.01 -1.74 -1.11 1.44 0.00 -1.26 -5.02 121.76 114.09 1x64 s ALA 22 Ca -0.01 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.22 1x64 s ALA 22 Cb -0.03 0.60 0.35 0.00 0.00 0.00 0.00 23.12 24.04 1x64 s ALA 22 CO 0.01 -1.05 1.13 0.94 0.00 0.00 0.00 175.76 176.79 1x64 n GLN 23 N -0.48 2.44 -3.62 0.00 -0.06 -1.26 -4.89 117.38 109.51 1x64 n GLN 23 Ca -0.06 -1.36 -0.21 0.00 -2.00 0.00 0.00 57.00 53.37 1x64 n GLN 23 Cb 0.61 -1.65 0.06 0.00 -4.06 0.00 0.00 30.24 25.20 1x64 n GLN 23 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1x64 n ARG 24 N 0.35 -5.89 -3.90 3.69 5.12 -1.26 -5.00 116.66 109.77 1x64 n ARG 24 Ca 0.12 0.72 -0.11 0.00 -1.93 0.00 0.00 57.85 56.65 1x64 n ARG 24 Cb 0.55 -5.52 -0.13 0.00 -1.16 0.00 0.00 32.46 26.20 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x64 s MET 25 N -5.88 0.12 0.41 5.56 0.23 -1.26 -5.15 119.30 113.34 1x64 s MET 25 Ca 0.14 -0.17 -0.25 0.00 -1.03 0.00 0.00 55.69 54.38 1x64 s MET 25 Cb -0.07 0.05 -0.08 0.00 -1.53 0.00 0.00 34.83 33.20 1x64 s MET 25 CO 0.78 -0.02 1.18 -1.25 -2.03 0.00 0.00 175.02 173.68 1x64 s PRO 26 N -0.47 3.98 -0.31 3.16 0.04 -1.26 -4.83 135.00 135.31 1x64 s PRO 26 Ca -0.05 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1x64 s PRO 26 Cb -0.03 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1x64 s PRO 26 CO -0.00 -0.39 0.20 -1.17 0.04 0.00 0.00 177.00 175.68 1x64 s LEU 27 N -2.60 4.26 -0.26 -3.56 1.98 -1.26 -2.27 118.68 114.97 1x64 s LEU 27 Ca 0.58 -0.33 -0.35 0.00 -2.89 0.00 0.00 54.13 51.14 1x64 s LEU 27 Cb -0.31 -2.10 -0.12 0.00 0.66 0.00 0.00 46.19 44.33 1x64 s LEU 27 CO 0.39 -0.17 2.04 0.00 -1.89 0.00 0.00 176.35 176.72 1x64 n ASP 29 N 8.41 0.00 -0.11 0.00 -0.08 -1.24 0.13 116.55 123.66 1x64 n ASP 29 Ca 0.33 -0.71 -0.18 0.00 -1.51 0.00 0.00 54.79 52.72 1x64 n ASP 29 Cb 0.24 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.64 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 -0.93 0.55 -0.21 -0.67 3.00 -1.26 -4.64 118.16 114.00 1x64 n LYS 30 Ca 0.13 0.31 0.06 0.00 -0.00 0.00 0.00 58.31 58.81 1x64 n LYS 30 Cb 0.06 -1.52 0.16 0.00 0.00 0.00 0.00 35.03 33.72 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 -0.07 -0.14 2.99 0.00 0.00 0.34 -4.90 105.19 103.40 1x64 n GLY 32 Ca 0.13 0.14 -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 -3.96 2.48 0.10 1.61 0.01 -1.24 -4.86 113.70 107.84 1x64 s SER 33 Ca 0.12 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 56.78 1x64 s SER 33 Cb -0.07 -1.06 -0.11 0.00 0.21 0.00 0.00 66.02 65.00 1x64 s SER 33 CO 0.85 -0.07 0.37 0.61 0.41 0.00 0.00 173.24 175.41 1x64 n GLY 34 N 4.76 -0.93 3.51 3.44 0.00 -1.26 -3.65 105.19 111.07 1x64 n GLY 34 Ca -0.16 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.51 4.22 -0.20 -0.61 1.01 -0.96 -4.87 121.20 119.27 1x64 s ILE 35 Ca 0.42 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 1x64 s ILE 35 Cb -0.60 -2.90 0.10 0.00 0.01 0.00 0.00 42.46 39.07 1x64 s ILE 35 CO 0.34 0.44 0.39 -0.69 0.00 0.00 0.00 174.94 175.42 1x64 s VAL 36 N 0.74 -0.61 0.00 2.92 1.01 -1.26 -4.52 120.40 118.68 1x64 s VAL 36 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1x64 s VAL 36 Cb -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1x64 s VAL 36 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1x64 n GLY 37 N 5.38 3.20 3.26 4.51 0.00 -1.26 -5.02 105.19 115.26 1x64 n GLY 37 Ca -0.07 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.06 0.21 4.61 0.00 -1.26 -5.17 121.76 119.09 1x64 s ALA 38 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1x64 s ALA 38 Cb 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1x64 s ALA 38 CO 0.00 -0.45 0.03 0.54 0.00 0.00 0.00 175.76 175.88 1x64 s VAL 39 N 1.86 0.72 -0.28 0.00 0.11 -1.26 -4.23 120.40 117.31 1x64 s VAL 39 Ca -0.06 -2.00 -0.03 0.00 -2.93 0.00 0.00 61.98 56.96 1x64 s VAL 39 Cb -0.10 -2.30 0.09 0.00 -1.53 0.00 0.00 36.38 32.54 1x64 s VAL 39 CO -0.13 -0.32 0.10 -0.69 -3.33 0.00 0.00 175.10 170.74 1x64 s VAL 40 N -3.63 0.38 -0.21 2.04 1.01 0.31 -4.76 120.40 115.54 1x64 s VAL 40 Ca 0.28 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1x64 s VAL 40 Cb 0.06 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1x64 s VAL 40 CO 0.07 -0.61 0.02 -0.75 0.00 0.00 0.00 175.10 173.84 1x64 s LYS 41 N 1.88 3.67 0.00 2.72 2.20 -1.26 -0.04 119.74 128.90 1x64 s LYS 41 Ca 0.07 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1x64 s LYS 41 Cb -0.17 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1x64 s LYS 41 CO -0.27 0.00 0.00 0.00 -0.36 0.00 0.00 175.35 174.72 1x64 n ALA 42 N 4.31 0.00 -0.82 3.13 0.00 -1.19 -4.96 120.51 120.98 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 -0.55 0.00 -0.00 0.00 0.63 -1.26 -4.94 116.66 110.54 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 -0.12 -0.00 0.00 0.45 0.00 0.00 32.46 32.79 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x64 n ASP 44 N -1.62 4.96 -4.91 6.15 9.92 -1.26 -5.06 116.55 124.73 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1x64 n ASP 44 Cb 0.00 0.77 0.05 0.00 -0.64 0.00 0.00 41.12 41.30 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x64 s LYS 45 N -2.01 2.59 0.03 -1.24 1.02 -1.26 -5.10 119.74 113.77 1x64 s LYS 45 Ca -0.00 0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.06 1x64 s LYS 45 Cb 0.00 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1x64 s LYS 45 CO 0.01 -1.02 -0.14 0.71 -0.92 0.00 0.00 175.35 173.99 1x64 s TYR 46 N -3.20 1.22 -0.06 3.18 1.51 -1.26 -3.17 117.35 115.56 1x64 s TYR 46 Ca 0.57 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 56.23 1x64 s TYR 46 Cb -0.11 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1x64 s TYR 46 CO 0.47 0.02 0.23 1.03 -1.11 0.00 0.00 175.55 176.19 1x64 s ARG 47 N -0.92 0.36 0.99 -0.62 1.81 0.94 -3.66 118.95 117.85 1x64 s ARG 47 Ca 0.02 0.14 -0.13 0.00 -1.72 0.00 0.00 55.73 54.04 1x64 s ARG 47 Cb -0.07 0.17 0.08 0.00 -0.45 0.00 0.00 34.95 34.68 1x64 s ARG 47 CO 0.01 -0.07 0.49 0.72 -0.68 0.00 0.00 175.30 175.77 1x64 n HIS 48 N 2.48 -1.07 0.47 -0.53 8.25 -1.26 0.11 115.22 123.67 1x64 n HIS 48 Ca -0.16 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1x64 n HIS 48 Cb 0.58 -1.77 0.33 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 -2.39 0.03 -0.01 -0.41 -0.04 -1.26 -2.23 135.00 128.70 1x64 n PRO 49 Ca 0.06 0.28 -0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1x64 n PRO 49 Cb 0.55 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.53 0.05 0.54 0.28 -1.26 -4.67 120.64 116.49 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 0.18 -1.05 0.06 0.00 1.43 0.00 0.00 31.44 32.06 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 -3.88 1.24 -3.89 0.00 7.35 -0.95 -4.85 117.46 112.49 1x64 n PHE 52 Ca -0.03 0.21 -0.08 0.00 -0.76 0.00 0.00 57.45 56.79 1x64 n PHE 52 Cb 0.65 -2.55 -0.02 0.00 0.35 0.00 0.00 39.48 37.91 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 10.25 0.00 1.03 -2.13 -7.23 -1.26 -3.13 120.40 117.93 1x64 s VAL 53 Ca 1.11 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.04 1x64 s VAL 53 Cb -0.61 -2.19 0.20 0.00 0.56 0.00 0.00 36.38 34.34 1x64 s VAL 53 CO 0.37 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 176.24 1x64 n ALA 55 N -4.37 3.04 -0.03 0.00 0.00 -1.23 -2.89 120.51 115.04 1x64 n ALA 55 Ca 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 1x64 n ALA 55 Cb 0.55 -0.62 -0.03 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 0.22 3.55 -0.00 0.00 2.03 -1.26 -4.79 116.55 116.30 1x64 n ASP 56 Ca 0.08 -0.03 0.01 0.00 0.52 0.00 0.00 54.79 55.37 1x64 n ASP 56 Cb 0.39 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.14 -3.30 -4.73 0.00 5.15 -1.14 -4.87 115.26 105.23 1x64 n ASN 58 Ca 0.00 -0.56 -0.38 0.00 -0.60 0.00 0.00 54.58 53.04 1x64 n ASN 58 Cb 0.04 -4.86 -0.06 0.00 -0.53 0.00 0.00 39.78 34.37 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 -6.39 4.29 -0.44 1.20 0.20 -1.26 -4.38 118.68 111.90 1x64 s LEU 59 Ca 0.17 0.82 -0.30 0.00 0.69 0.00 0.00 54.13 55.51 1x64 s LEU 59 Cb -0.08 -2.68 -0.10 0.00 -0.43 0.00 0.00 46.19 42.91 1x64 s LEU 59 CO 0.69 0.03 2.33 0.59 -0.29 0.00 0.00 176.35 179.70 1x64 n ASN 60 N 3.53 2.24 0.11 3.68 4.13 -1.26 -1.33 115.26 126.36 1x64 n ASN 60 Ca -0.08 0.03 0.12 0.00 1.68 0.00 0.00 54.58 56.34 1x64 n ASN 60 Cb 0.52 -1.40 0.22 0.00 -1.54 0.00 0.00 39.78 37.58 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 15.34 0.00 -0.44 3.41 3.38 -1.86 -3.34 115.31 131.80 1x64 h LEU 61 Ca -0.27 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1x64 h LEU 61 Cb 1.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1x64 h LEU 61 CO 1.09 0.04 -0.26 1.17 0.09 0.00 0.00 178.44 180.57 1x64 n LYS 62 N -2.45 -0.19 0.06 1.13 3.00 -1.26 -1.42 118.16 117.03 1x64 n LYS 62 Ca 0.04 1.05 -0.21 0.00 -0.00 0.00 0.00 58.31 59.19 1x64 n LYS 62 Cb 0.47 -1.56 -0.12 0.00 0.00 0.00 0.00 35.03 33.82 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 0.63 -7.47 1.64 3.07 -1.97 -3.46 115.11 107.55 1x64 h GLN 63 Ca 0.07 -0.77 -0.41 0.00 0.09 0.00 0.00 58.65 57.62 1x64 h GLN 63 Cb 0.18 0.24 0.19 0.00 0.08 0.00 0.00 27.48 28.17 1x64 h GLN 63 CO -0.41 1.34 0.17 0.15 0.09 0.00 0.00 178.83 180.17 1x64 s LYS 64 N -3.11 -1.12 -0.62 0.06 1.02 -0.51 -4.95 119.74 110.51 1x64 s LYS 64 Ca -0.10 -0.20 -0.24 0.00 0.02 0.00 0.00 55.97 55.45 1x64 s LYS 64 Cb 0.06 -1.62 0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1x64 s LYS 64 CO 0.92 -3.62 1.03 0.20 -0.92 0.00 0.00 175.35 172.96 1x64 s GLY 65 N -4.11 1.28 0.84 -3.33 0.00 -1.26 -4.81 107.32 95.92 1x64 s GLY 65 Ca 0.72 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 1x64 s GLY 65 CO 0.55 2.20 1.10 -2.52 0.00 0.00 0.00 173.10 174.44 1x64 s TYR 66 N 4.39 2.25 0.05 1.90 -0.85 -1.26 -3.66 117.35 120.17 1x64 s TYR 66 Ca 0.29 1.58 -0.01 0.00 -0.52 0.00 0.00 57.07 58.41 1x64 s TYR 66 Cb -0.13 -3.14 -0.04 0.00 0.38 0.00 0.00 41.96 39.03 1x64 s TYR 66 CO 0.16 -2.20 -0.03 -0.06 -1.52 0.00 0.00 175.55 171.90 1x64 s PHE 67 N -2.83 0.49 -0.30 -3.49 0.40 -0.90 -4.94 117.98 106.41 1x64 s PHE 67 Ca 0.63 -1.01 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1x64 s PHE 67 Cb -0.19 -0.37 0.09 0.00 0.51 0.00 0.00 43.02 43.06 1x64 s PHE 67 CO 0.57 -0.36 0.06 -0.06 0.70 0.00 0.00 175.22 176.12 1x64 s PHE 68 N -3.66 2.41 -0.30 0.36 0.08 -1.26 -2.93 117.98 112.69 1x64 s PHE 68 Ca 0.05 -2.09 0.03 0.00 0.12 0.00 0.00 56.93 55.04 1x64 s PHE 68 Cb 0.06 -2.03 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 1x64 s PHE 68 CO -0.09 -0.87 -0.03 0.08 -0.10 0.00 0.00 175.22 174.21 1x64 s VAL 69 N 1.38 2.19 -1.20 -0.44 1.01 0.66 -4.70 120.40 119.29 1x64 s VAL 69 Ca 0.07 -1.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.04 1x64 s VAL 69 Cb -0.18 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1x64 s VAL 69 CO -0.16 -0.30 0.67 -0.62 0.00 0.00 0.00 175.10 174.68 1x64 n GLU 70 N 4.36 -4.90 0.00 2.72 1.02 -1.26 -2.31 120.64 120.26 1x64 n GLU 70 Ca -0.05 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1x64 n GLU 70 Cb 0.42 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 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 -1.51 2.31 3.85 0.62 0.00 -1.26 -5.00 105.19 104.20 1x64 n GLY 71 Ca -0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 3.83 0.41 1.61 2.56 -0.98 -5.00 118.70 121.14 1x64 s GLU 72 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 54.97 55.92 1x64 s GLU 72 Cb 0.00 -2.12 -0.00 0.00 2.00 0.00 0.00 34.13 34.01 1x64 s GLU 72 CO 0.00 -0.37 0.61 -0.51 -0.56 0.00 0.00 175.26 174.43 1x64 s LEU 73 N -4.35 3.74 0.01 2.70 1.43 -1.26 -0.25 118.68 120.70 1x64 s LEU 73 Ca 0.58 0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.50 1x64 s LEU 73 Cb -0.10 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1x64 s LEU 73 CO 0.37 -0.63 0.81 -0.31 0.23 0.00 0.00 176.35 176.82 1x64 s TYR 74 N -2.43 -0.43 0.69 0.29 2.02 -1.15 -3.51 117.35 112.82 1x64 s TYR 74 Ca 0.48 0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 57.48 1x64 s TYR 74 Cb -0.10 0.51 0.01 0.00 -0.40 0.00 0.00 41.96 41.99 1x64 s TYR 74 CO 0.35 -0.59 1.07 0.00 -1.57 0.00 0.00 175.55 174.81 1x64 h GLU 76 N -0.57 0.56 0.00 0.00 4.81 -1.92 0.85 114.58 118.31 1x64 h GLU 76 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x64 h GLU 76 Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1x64 h GLU 76 CO 0.63 0.37 0.00 2.41 -0.73 0.00 0.00 179.01 181.69 1x64 n THR 77 N -4.82 0.00 0.23 0.32 -1.04 -1.26 -1.51 114.28 106.19 1x64 n THR 77 Ca 0.26 1.27 -0.15 0.00 -2.04 0.00 0.00 64.05 63.39 1x64 n THR 77 Cb 0.74 -2.27 -0.08 0.00 -1.82 0.00 0.00 70.33 66.91 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 -0.85 -0.62 -1.42 3.86 -1.87 -2.92 115.15 111.34 1x64 h HIS 78 Ca 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1x64 h HIS 78 Cb 0.00 0.32 -0.11 0.00 1.06 0.00 0.00 27.41 28.68 1x64 h HIS 78 CO 0.18 -0.46 -0.40 0.00 0.86 0.00 0.00 177.93 178.11 1x64 h ALA 79 N -0.18 -0.21 -0.96 2.45 0.00 0.60 0.24 119.26 121.20 1x64 h ALA 79 Ca -0.03 0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.30 1x64 h ALA 79 Cb 0.61 0.91 -0.14 0.00 0.00 0.00 0.00 17.79 19.17 1x64 h ALA 79 CO -0.03 -0.77 0.47 0.00 0.00 0.00 0.00 179.25 178.92 1x64 h ARG 80 N -0.19 0.32 -0.74 0.00 3.08 -1.10 0.59 114.38 116.34 1x64 h ARG 80 Ca 0.21 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 1x64 h ARG 80 Cb 0.56 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1x64 h ARG 80 CO -0.71 0.21 0.22 0.00 -1.07 0.00 0.00 179.97 178.63 1x64 h ALA 81 N 1.81 0.99 0.37 0.04 0.00 -0.36 0.39 119.26 122.50 1x64 h ALA 81 Ca 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1x64 h ALA 81 Cb 1.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1x64 h ALA 81 CO -0.60 0.67 -0.18 0.00 0.00 0.00 0.00 179.25 179.14 1x64 h ARG 82 N 1.11 -0.47 -0.78 0.00 3.08 0.62 -3.22 114.38 114.72 1x64 h ARG 82 Ca 0.24 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1x64 h ARG 82 Cb 0.32 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x64 h ARG 82 CO -0.01 -0.28 0.00 -2.37 -1.07 0.00 0.00 179.97 176.25 1x64 n THR 83 N -5.10 0.20 -1.60 2.04 5.66 0.64 -4.89 114.28 111.23 1x64 n THR 83 Ca -0.07 -0.11 -0.51 0.00 -3.05 0.00 0.00 64.05 60.31 1x64 n THR 83 Cb 0.21 -0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 68.56 1x64 n THR 83 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1x64 n SER 84 N -0.02 2.68 -2.26 1.09 2.88 0.14 -2.53 113.62 115.60 1x64 n SER 84 Ca 0.02 0.75 -0.04 0.00 -1.33 0.00 0.00 58.87 58.27 1x64 n SER 84 Cb 0.27 -1.28 0.02 0.00 -0.75 0.00 0.00 64.21 62.47 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 85 N 5.24 -0.31 3.71 0.46 0.00 -1.26 -5.03 105.19 108.00 1x64 n GLY 85 Ca 0.31 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.37 1.12 0.46 1.61 0.04 -1.05 -5.05 135.00 128.76 1x64 s PRO 86 Ca 0.12 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 61.89 1x64 s PRO 86 Cb -0.02 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1x64 s PRO 86 CO 0.34 -2.32 0.74 -1.54 0.04 0.00 0.00 177.00 174.26 1x64 s SER 87 N -3.43 6.25 -0.32 6.66 1.04 -1.26 -5.00 113.70 117.63 1x64 s SER 87 Ca 0.64 0.83 -0.29 0.00 0.48 0.00 0.00 55.95 57.61 1x64 s SER 87 Cb -0.18 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 1x64 s SER 87 CO 0.57 -0.54 1.65 -0.94 0.98 0.00 0.00 173.24 174.97 1x64 s SER 88 N -4.10 6.13 0.00 7.02 1.04 -1.26 -5.27 113.70 117.26 1x64 s SER 88 Ca 0.46 1.27 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1x64 s SER 88 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1x64 s SER 88 CO 0.43 -1.52 0.34 0.61 0.98 0.00 0.00 173.24 174.09