#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 0.53 0.12 1.61 0.01 -1.26 -5.17 113.70 109.54 1x64 s SER 2 Ca 0.00 -0.92 -0.11 0.00 1.31 0.00 0.00 55.95 56.22 1x64 s SER 2 Cb 0.00 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.41 1x64 s SER 2 CO 0.00 -0.54 0.29 -0.44 0.41 0.00 0.00 173.24 172.96 1x64 s SER 3 N -2.70 -0.02 0.10 2.44 0.01 -1.26 -5.18 113.70 107.09 1x64 s SER 3 Ca 0.04 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x64 s SER 3 Cb 0.05 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.69 1x64 s SER 3 CO -0.08 -0.81 0.13 0.61 0.41 0.00 0.00 173.24 173.50 1x64 n GLY 4 N -0.15 3.11 3.51 3.44 0.00 -1.26 -5.13 105.19 108.72 1x64 n GLY 4 Ca -0.14 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1x64 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 5 N -1.67 6.19 -0.21 1.61 0.01 -1.26 -5.06 113.70 113.32 1x64 s SER 5 Ca 0.10 -0.47 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 1x64 s SER 5 Cb -0.00 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1x64 s SER 5 CO 0.07 -0.47 0.09 -0.44 0.41 0.00 0.00 173.24 172.90 1x64 s SER 6 N 1.77 5.64 0.00 2.44 0.01 -1.26 -4.97 113.70 117.33 1x64 s SER 6 Ca 0.12 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1x64 s SER 6 Cb -0.17 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1x64 s SER 6 CO 0.13 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1x64 n GLY 7 N 4.02 -0.39 3.42 3.44 0.00 -1.26 -5.16 105.19 109.25 1x64 n GLY 7 Ca -0.16 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1x64 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x64 s VAL 8 N 0.00 0.01 -0.35 1.61 -7.23 -1.26 -5.13 120.40 108.05 1x64 s VAL 8 Ca 0.00 -0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.06 1x64 s VAL 8 Cb 0.00 -0.77 0.07 0.00 0.56 0.00 0.00 36.38 36.24 1x64 s VAL 8 CO 0.00 -0.04 0.09 -0.13 -0.31 0.00 0.00 175.10 174.71 1x64 s ARG 9 N -0.26 2.28 -0.03 4.82 0.52 -1.26 -5.08 118.95 119.93 1x64 s ARG 9 Ca -0.04 -1.47 0.04 0.00 -0.52 0.00 0.00 55.73 53.74 1x64 s ARG 9 Cb -0.03 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1x64 s ARG 9 CO 0.03 -0.80 -0.16 0.00 0.02 0.00 0.00 175.30 174.39 1x64 s ALA 10 N 1.22 1.36 0.70 2.13 0.00 -1.26 -5.14 121.76 120.78 1x64 s ALA 10 Ca 0.01 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 1x64 s ALA 10 Cb -0.21 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1x64 s ALA 10 CO -0.02 0.27 1.10 -1.25 0.00 0.00 0.00 175.76 175.87 1x64 s PRO 11 N -0.07 2.59 -0.02 0.00 0.04 -1.26 -5.06 135.00 131.22 1x64 s PRO 11 Ca -0.00 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.42 1x64 s PRO 11 Cb -0.09 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1x64 s PRO 11 CO 0.01 -1.40 -0.25 0.08 0.04 0.00 0.00 177.00 175.48 1x64 s VAL 12 N -2.56 1.97 0.25 -0.36 1.01 -1.26 -5.14 120.40 114.31 1x64 s VAL 12 Ca 0.65 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1x64 s VAL 12 Cb -0.19 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1x64 s VAL 12 CO 0.47 0.54 0.21 0.28 0.00 0.00 0.00 175.10 176.60 1x64 s THR 13 N -0.60 4.50 -0.18 3.92 -1.32 -1.26 -5.12 115.64 115.59 1x64 s THR 13 Ca 0.10 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.20 1x64 s THR 13 Cb -0.10 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.47 1x64 s THR 13 CO -0.01 -0.35 -0.17 -1.59 -2.21 0.00 0.00 174.62 170.30 1x64 s LYS 14 N -3.85 3.11 0.08 7.08 -2.85 -1.26 -5.12 119.74 116.93 1x64 s LYS 14 Ca 0.33 -0.78 0.07 0.00 -1.00 0.00 0.00 55.97 54.59 1x64 s LYS 14 Cb -0.08 -2.64 -0.03 0.00 -2.06 0.00 0.00 37.83 33.02 1x64 s LYS 14 CO 0.25 -0.13 -0.19 0.54 0.10 0.00 0.00 175.35 175.92 1x64 s VAL 15 N 1.15 1.51 -0.06 1.79 0.11 -1.26 -5.15 120.40 118.49 1x64 s VAL 15 Ca 0.01 -1.38 0.05 0.00 -2.93 0.00 0.00 61.98 57.73 1x64 s VAL 15 Cb -0.14 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1x64 s VAL 15 CO -0.07 -0.04 -0.22 -1.38 -3.33 0.00 0.00 175.10 170.06 1x64 s HIS 16 N -1.09 2.52 -0.07 1.54 -3.43 -1.26 -5.11 115.29 108.39 1x64 s HIS 16 Ca 0.04 -0.64 -0.32 0.00 -0.80 0.00 0.00 55.06 53.35 1x64 s HIS 16 Cb -0.10 -1.63 0.12 0.00 -1.43 0.00 0.00 32.58 29.54 1x64 s HIS 16 CO 0.03 -0.16 1.17 0.20 -2.00 0.00 0.00 174.74 173.98 1x64 s GLY 17 N -0.18 -0.35 0.00 -1.38 0.00 -1.26 -5.17 107.32 98.98 1x64 s GLY 17 Ca -0.02 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1x64 s GLY 17 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.05 1x64 n GLY 18 N -0.29 2.23 3.38 0.20 0.00 -1.26 -5.09 105.19 104.36 1x64 n GLY 18 Ca -0.05 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.62 -1.37 0.00 4.61 0.00 -1.26 -5.15 121.76 115.96 1x64 s ALA 19 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1x64 s ALA 19 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1x64 s ALA 19 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1x64 n GLY 20 N 4.91 3.72 2.99 0.00 0.00 -1.26 -5.16 105.19 110.39 1x64 n GLY 20 Ca -0.15 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1x64 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x64 s SER 21 N 0.00 0.64 0.13 1.61 1.04 -1.26 -5.15 113.70 110.71 1x64 s SER 21 Ca 0.00 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.00 1x64 s SER 21 Cb 0.00 -0.02 -0.07 0.00 0.10 0.00 0.00 66.02 66.04 1x64 s SER 21 CO 0.00 -0.06 0.55 0.00 0.98 0.00 0.00 173.24 174.71 1x64 s ALA 22 N -0.65 3.58 -0.31 5.32 0.00 -1.26 -5.01 121.76 123.43 1x64 s ALA 22 Ca -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1x64 s ALA 22 Cb -0.05 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.63 1x64 s ALA 22 CO -0.00 0.45 0.03 -1.14 0.00 0.00 0.00 175.76 175.10 1x64 s GLN 23 N -1.83 1.39 -1.14 0.00 0.74 -1.26 -4.76 119.66 112.80 1x64 s GLN 23 Ca 0.36 -1.55 -0.03 0.00 0.05 0.00 0.00 55.36 54.19 1x64 s GLN 23 Cb -0.16 -2.84 0.02 0.00 1.10 0.00 0.00 33.01 31.14 1x64 s GLN 23 CO 0.19 -0.88 0.19 -2.13 -0.55 0.00 0.00 175.29 172.11 1x64 n ARG 24 N 4.45 -2.77 -3.59 1.67 0.63 -1.26 -4.89 116.66 110.89 1x64 n ARG 24 Ca -0.01 0.57 -0.07 0.00 -0.92 0.00 0.00 57.85 57.42 1x64 n ARG 24 Cb 0.42 -5.22 -0.04 0.00 0.45 0.00 0.00 32.46 28.07 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x64 s MET 25 N -5.37 0.42 0.65 -0.14 0.23 -1.26 -5.09 119.30 108.74 1x64 s MET 25 Ca 0.14 0.05 -0.15 0.00 -1.03 0.00 0.00 55.69 54.69 1x64 s MET 25 Cb -0.07 0.20 -0.00 0.00 -1.53 0.00 0.00 34.83 33.42 1x64 s MET 25 CO 0.17 -0.14 1.11 -1.25 -2.03 0.00 0.00 175.02 172.88 1x64 s PRO 26 N -1.38 2.84 -0.25 3.16 0.04 -1.26 -4.67 135.00 133.49 1x64 s PRO 26 Ca 0.03 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1x64 s PRO 26 Cb -0.01 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1x64 s PRO 26 CO -0.03 -1.22 0.00 -1.17 0.04 0.00 0.00 177.00 174.63 1x64 s LEU 27 N -4.80 3.24 -0.09 -3.56 1.98 -1.26 -1.61 118.68 112.59 1x64 s LEU 27 Ca 0.67 -0.48 -0.36 0.00 -2.89 0.00 0.00 54.13 51.07 1x64 s LEU 27 Cb -0.21 -1.80 -0.14 0.00 0.66 0.00 0.00 46.19 44.71 1x64 s LEU 27 CO 0.41 -0.07 1.73 0.00 -1.89 0.00 0.00 176.35 176.52 1x64 n ASP 29 N 5.25 0.00 -0.11 0.00 2.03 -1.23 0.13 116.55 122.62 1x64 n ASP 29 Ca 0.22 -1.11 -0.17 0.00 0.52 0.00 0.00 54.79 54.26 1x64 n ASP 29 Cb 0.23 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.94 0.54 -0.23 -0.67 3.00 -1.26 -4.63 118.16 113.97 1x64 n LYS 30 Ca 0.21 0.33 0.06 0.00 -0.00 0.00 0.00 58.31 58.91 1x64 n LYS 30 Cb 0.09 -1.53 0.17 0.00 0.00 0.00 0.00 35.03 33.76 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 -0.30 -0.23 3.26 0.00 0.00 0.12 -4.91 105.19 103.14 1x64 n GLY 32 Ca 0.14 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.72 3.19 0.18 1.61 0.15 -1.24 -4.84 113.70 109.03 1x64 s SER 33 Ca 0.36 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 1x64 s SER 33 Cb -0.21 -1.15 -0.17 0.00 -1.71 0.00 0.00 66.02 62.78 1x64 s SER 33 CO 0.94 0.21 0.67 0.61 1.20 0.00 0.00 173.24 176.87 1x64 n GLY 34 N 3.21 -1.31 3.32 9.45 0.00 -1.26 -2.83 105.19 115.77 1x64 n GLY 34 Ca -0.18 0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.83 3.27 -0.24 -0.61 1.01 -0.63 -4.85 121.20 118.32 1x64 s ILE 35 Ca 0.68 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 1x64 s ILE 35 Cb -0.95 -2.46 0.12 0.00 0.01 0.00 0.00 42.46 39.18 1x64 s ILE 35 CO 0.56 0.45 0.47 0.54 0.00 0.00 0.00 174.94 176.97 1x64 s VAL 36 N 1.18 -0.74 0.00 2.92 0.11 -1.26 -4.19 120.40 118.42 1x64 s VAL 36 Ca 0.02 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1x64 s VAL 36 Cb -0.14 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1x64 s VAL 36 CO -0.02 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1x64 n GLY 37 N 5.40 3.25 3.50 6.54 0.00 -1.26 -5.02 105.19 117.61 1x64 n GLY 37 Ca -0.08 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.04 -1.64 0.16 4.61 0.00 -1.26 -5.17 121.76 118.41 1x64 s ALA 38 Ca 0.00 2.05 -0.00 0.00 0.00 0.00 0.00 51.96 54.00 1x64 s ALA 38 Cb 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1x64 s ALA 38 CO 0.00 -0.65 0.07 0.54 0.00 0.00 0.00 175.76 175.72 1x64 s VAL 39 N 2.29 0.19 -0.28 0.00 0.11 -1.26 -4.23 120.40 117.22 1x64 s VAL 39 Ca -0.07 -1.94 -0.03 0.00 -2.93 0.00 0.00 61.98 57.01 1x64 s VAL 39 Cb -0.10 -2.18 0.09 0.00 -1.53 0.00 0.00 36.38 32.67 1x64 s VAL 39 CO -0.17 -0.35 0.11 -0.69 -3.33 0.00 0.00 175.10 170.67 1x64 s VAL 40 N -4.00 0.27 -0.19 2.04 1.01 0.42 -4.76 120.40 115.19 1x64 s VAL 40 Ca 0.28 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1x64 s VAL 40 Cb 0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1x64 s VAL 40 CO 0.05 -0.62 -0.00 -0.75 0.00 0.00 0.00 175.10 173.78 1x64 s LYS 41 N 1.94 3.66 0.00 2.72 2.20 -1.26 -0.05 119.74 128.95 1x64 s LYS 41 Ca 0.08 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1x64 s LYS 41 Cb -0.16 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1x64 s LYS 41 CO -0.28 0.08 0.00 0.00 -0.36 0.00 0.00 175.35 174.79 1x64 n ALA 42 N 4.04 0.00 -1.08 3.13 0.00 -1.20 -4.96 120.51 120.44 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 0.54 0.00 0.00 0.00 177.50 178.04 1x64 n ARG 43 N -0.79 0.00 -0.00 0.00 1.74 -1.26 -4.94 116.66 111.40 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 -0.02 -0.02 0.00 -1.02 0.00 0.00 32.46 31.40 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x64 n ASP 44 N -1.33 4.49 -4.92 0.55 8.00 -1.26 -5.05 116.55 117.03 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1x64 n ASP 44 Cb 0.00 0.95 0.05 0.00 -0.02 0.00 0.00 41.12 42.10 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1x64 s LYS 45 N -2.12 2.53 0.06 -1.24 1.02 -1.26 -5.10 119.74 113.62 1x64 s LYS 45 Ca -0.01 -0.08 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1x64 s LYS 45 Cb 0.01 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1x64 s LYS 45 CO 0.09 -1.02 -0.15 0.71 -0.92 0.00 0.00 175.35 174.06 1x64 s TYR 46 N -3.17 1.33 -0.08 3.18 1.51 -1.26 -3.22 117.35 115.64 1x64 s TYR 46 Ca 0.58 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 56.13 1x64 s TYR 46 Cb -0.11 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1x64 s TYR 46 CO 0.46 0.07 0.26 1.03 -1.11 0.00 0.00 175.55 176.26 1x64 s ARG 47 N -1.46 0.39 1.00 -0.62 1.81 0.93 -3.50 118.95 117.49 1x64 s ARG 47 Ca 0.01 0.21 -0.13 0.00 -1.72 0.00 0.00 55.73 54.09 1x64 s ARG 47 Cb -0.09 0.18 0.09 0.00 -0.45 0.00 0.00 34.95 34.69 1x64 s ARG 47 CO 0.02 -0.07 0.53 0.72 -0.68 0.00 0.00 175.30 175.82 1x64 n HIS 48 N 2.51 -0.98 0.46 -0.53 8.25 -1.26 0.16 115.22 123.84 1x64 n HIS 48 Ca -0.15 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1x64 n HIS 48 Cb 0.57 -1.78 0.36 0.00 1.12 0.00 0.00 29.99 30.26 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 -2.56 0.05 -0.01 -0.41 -0.04 -1.26 -2.49 135.00 128.29 1x64 n PRO 49 Ca 0.06 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.82 1x64 n PRO 49 Cb 0.55 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.71 3.27 0.12 0.54 0.28 -1.26 -4.65 120.64 117.23 1x64 n GLU 50 Ca 0.03 -0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1x64 n GLU 50 Cb 0.18 -1.05 0.27 0.00 1.43 0.00 0.00 31.44 32.27 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 -4.05 1.22 -3.88 0.00 7.35 -1.04 -4.84 117.46 112.22 1x64 n PHE 52 Ca -0.01 0.21 -0.08 0.00 -0.76 0.00 0.00 57.45 56.81 1x64 n PHE 52 Cb 0.45 -2.55 -0.02 0.00 0.35 0.00 0.00 39.48 37.72 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 10.37 0.00 1.01 -2.13 -7.23 -1.26 -2.91 120.40 118.25 1x64 s VAL 53 Ca 1.11 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.06 1x64 s VAL 53 Cb -0.61 -2.30 0.19 0.00 0.56 0.00 0.00 36.38 34.23 1x64 s VAL 53 CO 0.37 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.24 1x64 n ALA 55 N -4.25 3.37 -0.05 0.00 0.00 -1.18 -2.98 120.51 115.43 1x64 n ALA 55 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 1x64 n ALA 55 Cb 0.56 -0.56 -0.05 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 -0.43 3.20 -0.00 0.00 -0.08 -1.26 -4.77 116.55 113.21 1x64 n ASP 56 Ca 0.06 -0.05 0.01 0.00 -1.51 0.00 0.00 54.79 53.30 1x64 n ASP 56 Cb 0.31 -0.12 -0.01 0.00 2.34 0.00 0.00 41.12 43.64 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 -1.23 -3.29 -4.74 0.00 5.15 -1.16 -4.88 115.26 105.11 1x64 n ASN 58 Ca 0.00 -0.45 -0.38 0.00 -0.60 0.00 0.00 54.58 53.16 1x64 n ASN 58 Cb 0.04 -3.99 -0.06 0.00 -0.53 0.00 0.00 39.78 35.24 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 -5.50 4.30 -0.46 1.20 0.20 -1.26 -4.35 118.68 112.81 1x64 s LEU 59 Ca 0.17 0.78 -0.32 0.00 0.69 0.00 0.00 54.13 55.45 1x64 s LEU 59 Cb -0.07 -2.63 -0.11 0.00 -0.43 0.00 0.00 46.19 42.95 1x64 s LEU 59 CO 0.55 0.06 2.32 -3.20 -0.29 0.00 0.00 176.35 175.79 1x64 n ASN 60 N 3.42 2.04 -1.01 3.68 2.85 -1.26 -0.76 115.26 124.21 1x64 n ASN 60 Ca -0.09 0.15 0.05 0.00 -0.11 0.00 0.00 54.58 54.58 1x64 n ASN 60 Cb 0.52 -1.32 0.20 0.00 1.24 0.00 0.00 39.78 40.41 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x64 n LEU 61 N 11.53 2.88 0.14 1.20 4.77 -1.15 -4.23 117.00 132.15 1x64 n LEU 61 Ca 0.43 -1.45 -0.06 0.00 -0.03 0.00 0.00 56.01 54.89 1x64 n LEU 61 Cb 0.30 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1x64 n LEU 61 CO 0.76 0.48 0.32 0.50 -1.33 0.00 0.00 177.39 178.12 1x64 h LYS 62 N 2.17 -0.37 -0.14 3.23 1.63 -1.86 -3.35 116.57 117.89 1x64 h LYS 62 Ca 0.00 0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.61 1x64 h LYS 62 Cb 0.95 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1x64 h LYS 62 CO 0.15 -0.25 -0.75 -0.56 -3.45 0.00 0.00 179.45 174.59 1x64 h GLN 63 N -0.56 0.75 -7.44 1.90 3.07 -1.97 -3.46 115.11 107.40 1x64 h GLN 63 Ca -0.04 -0.62 -0.45 0.00 0.09 0.00 0.00 58.65 57.62 1x64 h GLN 63 Cb 0.29 0.13 0.14 0.00 0.08 0.00 0.00 27.48 28.13 1x64 h GLN 63 CO 0.06 1.23 0.25 0.15 0.09 0.00 0.00 178.83 180.62 1x64 s LYS 64 N -3.71 0.75 -0.51 0.06 1.02 -1.26 -4.95 119.74 111.15 1x64 s LYS 64 Ca -0.11 0.36 -0.28 0.00 0.02 0.00 0.00 55.97 55.96 1x64 s LYS 64 Cb 0.08 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 1x64 s LYS 64 CO 0.89 -2.48 1.33 0.20 -0.92 0.00 0.00 175.35 174.38 1x64 s GLY 65 N -3.79 1.05 0.85 -3.33 0.00 -1.26 -4.82 107.32 96.01 1x64 s GLY 65 Ca 0.65 -0.53 -0.11 0.00 0.00 0.00 0.00 44.72 44.73 1x64 s GLY 65 CO 0.55 2.69 1.09 -2.52 0.00 0.00 0.00 173.10 174.91 1x64 s TYR 66 N 5.47 2.48 0.18 1.90 -0.85 -1.25 -3.72 117.35 121.55 1x64 s TYR 66 Ca 0.53 1.31 -0.01 0.00 -0.52 0.00 0.00 57.07 58.37 1x64 s TYR 66 Cb -0.10 -3.12 -0.04 0.00 0.38 0.00 0.00 41.96 39.08 1x64 s TYR 66 CO 0.28 -2.13 0.11 -0.06 -1.52 0.00 0.00 175.55 172.23 1x64 s PHE 67 N -2.97 1.04 -0.27 -3.49 0.40 -1.06 -4.95 117.98 106.68 1x64 s PHE 67 Ca 0.62 -1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1x64 s PHE 67 Cb -0.17 -0.51 0.09 0.00 0.51 0.00 0.00 43.02 42.94 1x64 s PHE 67 CO 0.56 -0.60 0.12 -0.06 0.70 0.00 0.00 175.22 175.94 1x64 s PHE 68 N -4.12 0.37 0.05 0.36 0.40 -1.26 -3.37 117.98 110.41 1x64 s PHE 68 Ca 0.33 -0.81 0.09 0.00 -0.60 0.00 0.00 56.93 55.95 1x64 s PHE 68 Cb 0.07 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.67 1x64 s PHE 68 CO 0.08 -0.77 -0.26 0.08 0.70 0.00 0.00 175.22 175.06 1x64 s VAL 69 N 2.08 2.10 -0.63 -0.44 1.01 0.12 -4.71 120.40 119.92 1x64 s VAL 69 Ca 0.08 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 1x64 s VAL 69 Cb -0.16 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.50 1x64 s VAL 69 CO -0.31 0.35 0.20 -1.84 0.00 0.00 0.00 175.10 173.51 1x64 n GLU 70 N 1.78 -1.58 -2.82 2.72 0.28 -1.26 0.28 120.64 120.04 1x64 n GLU 70 Ca -0.17 0.05 -0.09 0.00 -0.16 0.00 0.00 57.16 56.79 1x64 n GLU 70 Cb 0.52 -3.11 0.03 0.00 1.43 0.00 0.00 31.44 30.31 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x64 n GLY 71 N -0.61 0.30 3.32 -1.84 0.00 -1.26 -5.05 105.19 100.06 1x64 n GLY 71 Ca 0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.22 0.75 0.34 1.61 2.12 0.79 -5.15 118.70 113.94 1x64 s GLU 72 Ca 0.16 0.03 -0.15 0.00 0.36 0.00 0.00 54.97 55.37 1x64 s GLU 72 Cb -0.07 0.34 -0.09 0.00 0.26 0.00 0.00 34.13 34.57 1x64 s GLU 72 CO 0.28 -0.20 0.77 -0.51 -0.54 0.00 0.00 175.26 175.06 1x64 s LEU 73 N -1.08 4.02 0.10 2.70 1.43 -1.26 0.12 118.68 124.72 1x64 s LEU 73 Ca -0.11 1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 54.11 1x64 s LEU 73 Cb -0.04 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.09 1x64 s LEU 73 CO 0.05 -0.24 0.50 -0.31 0.23 0.00 0.00 176.35 176.58 1x64 s TYR 74 N -2.05 -0.38 0.57 0.29 2.02 -1.22 -3.09 117.35 113.49 1x64 s TYR 74 Ca 0.55 0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 1x64 s TYR 74 Cb -0.10 0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.78 1x64 s TYR 74 CO 0.18 -0.71 1.00 0.00 -1.57 0.00 0.00 175.55 174.45 1x64 h GLU 76 N 0.16 0.23 0.00 0.00 4.81 -1.93 0.66 114.58 118.51 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 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1x64 h GLU 76 CO 0.62 0.15 0.00 2.41 -0.73 0.00 0.00 179.01 181.46 1x64 n THR 77 N -4.84 0.00 0.25 0.32 -1.04 -1.26 -1.86 114.28 105.84 1x64 n THR 77 Ca 0.33 1.22 -0.16 0.00 -2.04 0.00 0.00 64.05 63.40 1x64 n THR 77 Cb 1.14 -2.22 -0.08 0.00 -1.82 0.00 0.00 70.33 67.35 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 -0.98 -0.82 -1.42 3.86 -1.78 -2.82 115.15 111.20 1x64 h HIS 78 Ca 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1x64 h HIS 78 Cb 0.00 0.37 -0.14 0.00 1.06 0.00 0.00 27.41 28.70 1x64 h HIS 78 CO 0.17 -0.52 -0.34 0.00 0.86 0.00 0.00 177.93 178.10 1x64 h ALA 79 N -0.35 0.16 -1.01 2.45 0.00 0.17 0.56 119.26 121.24 1x64 h ALA 79 Ca -0.03 0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.35 1x64 h ALA 79 Cb 0.68 0.86 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1x64 h ALA 79 CO -0.04 -0.60 0.60 0.00 0.00 0.00 0.00 179.25 179.21 1x64 h ARG 80 N -0.06 0.62 -0.83 0.00 3.08 -1.13 0.26 114.38 116.32 1x64 h ARG 80 Ca 0.32 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1x64 h ARG 80 Cb 0.59 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1x64 h ARG 80 CO -0.85 0.41 0.38 0.00 -1.07 0.00 0.00 179.97 178.84 1x64 h ALA 81 N 1.70 1.10 0.28 0.04 0.00 0.31 0.51 119.26 123.20 1x64 h ALA 81 Ca 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1x64 h ALA 81 Cb 1.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x64 h ALA 81 CO -0.44 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.34 1x64 h ARG 82 N 1.19 -0.36 -0.77 0.00 3.08 -0.10 -3.23 114.38 114.19 1x64 h ARG 82 Ca 0.28 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1x64 h ARG 82 Cb 0.15 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1x64 h ARG 82 CO -0.03 -0.15 0.00 -2.37 -1.07 0.00 0.00 179.97 176.35 1x64 n THR 83 N -5.03 0.19 -1.51 2.04 5.66 0.33 -4.87 114.28 111.09 1x64 n THR 83 Ca -0.06 -0.10 -0.41 0.00 -3.05 0.00 0.00 64.05 60.43 1x64 n THR 83 Cb 0.20 -0.37 -0.08 0.00 -1.55 0.00 0.00 70.33 68.53 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 -0.03 1.70 -0.61 1.09 2.88 0.18 -2.61 113.62 116.22 1x64 n SER 84 Ca 0.02 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1x64 n SER 84 Cb 0.26 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 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 6.28 0.69 3.58 0.46 0.00 -1.26 -5.05 105.19 109.88 1x64 n GLY 85 Ca 0.46 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.41 -1.46 0.12 1.61 0.04 -1.07 -4.92 135.00 126.92 1x64 s PRO 86 Ca 0.00 -0.15 -0.24 0.00 0.04 0.00 0.00 61.00 60.65 1x64 s PRO 86 Cb 0.00 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 1x64 s PRO 86 CO 0.00 -3.85 1.34 0.45 0.04 0.00 0.00 177.00 174.97 1x64 n SER 87 N -4.84 -0.82 -4.82 6.66 2.88 -1.26 -4.43 113.62 106.98 1x64 n SER 87 Ca 0.14 1.52 -0.32 0.00 -1.33 0.00 0.00 58.87 58.89 1x64 n SER 87 Cb 0.60 -0.25 0.04 0.00 -0.75 0.00 0.00 64.21 63.84 1x64 n SER 87 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x64 s SER 88 N -5.08 5.55 0.00 -3.46 1.04 -1.26 -5.30 113.70 105.19 1x64 s SER 88 Ca -0.09 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1x64 s SER 88 Cb 0.09 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1x64 s SER 88 CO 0.48 -1.32 0.12 0.61 0.98 0.00 0.00 173.24 174.11