#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7c s ARG 4 N 0.00 0.38 0.36 6.28 6.06 -1.26 -5.16 118.95 125.62 2c7c s ARG 4 Ca 0.00 1.03 -0.28 0.00 -2.50 0.00 0.00 55.73 53.99 2c7c s ARG 4 Cb 0.00 0.30 -0.10 0.00 0.06 0.00 0.00 34.95 35.21 2c7c s ARG 4 CO 0.00 -0.22 1.32 -1.25 -2.50 0.00 0.00 175.30 172.65 2c7c s PRO 5 N 2.34 4.19 -1.23 5.12 0.04 -1.26 -4.92 135.00 139.27 2c7c s PRO 5 Ca -0.04 2.22 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 2c7c s PRO 5 Cb -0.11 -2.94 0.10 0.00 0.04 0.00 0.00 34.50 31.59 2c7c s PRO 5 CO -0.14 -0.33 2.46 -0.11 0.04 0.00 0.00 177.00 178.92 2c7c n LEU 6 N 0.51 7.90 -1.65 -3.56 -0.00 -1.26 -4.26 117.00 114.69 2c7c n LEU 6 Ca 0.01 -4.77 0.00 0.00 -0.00 0.00 0.00 56.01 51.25 2c7c n LEU 6 Cb 0.42 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 2c7c n LEU 6 CO 0.58 2.03 -0.47 0.00 -0.00 0.00 0.00 177.39 179.53 2c7c n HIS 7 N 1.72 -4.53 0.00 1.96 1.44 -1.26 -4.68 115.22 109.87 2c7c n HIS 7 Ca 0.62 2.41 0.00 0.00 -2.01 0.00 0.00 57.72 58.74 2c7c n HIS 7 Cb 0.28 -3.60 0.00 0.00 0.12 0.00 0.00 29.99 26.79 2c7c n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2c7c n ASP 8 N -0.80 0.00 -4.68 4.39 2.03 -0.12 -4.86 116.55 112.51 2c7c n ASP 8 Ca 0.00 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.83 2c7c n ASP 8 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2c7c n ASP 8 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c7c n ARG 9 N 0.00 2.18 -3.52 -0.67 5.12 -1.26 -4.08 116.66 114.44 2c7c n ARG 9 Ca 0.00 0.80 -0.36 0.00 -1.93 0.00 0.00 57.85 56.36 2c7c n ARG 9 Cb 0.00 -2.66 -0.06 0.00 -1.16 0.00 0.00 32.46 28.58 2c7c n ARG 9 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2c7c s VAL 10 N 4.24 5.03 -0.11 1.55 1.01 0.10 -1.89 120.40 130.33 2c7c s VAL 10 Ca 0.93 0.65 0.03 0.00 0.00 0.00 0.00 61.98 63.60 2c7c s VAL 10 Cb -0.68 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2c7c s VAL 10 CO 0.51 0.39 -0.23 -0.63 0.00 0.00 0.00 175.10 175.14 2c7c s ILE 11 N -1.29 2.06 0.10 2.22 1.01 0.41 -1.40 121.20 124.31 2c7c s ILE 11 Ca 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2c7c s ILE 11 Cb -0.15 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2c7c s ILE 11 CO 0.16 0.56 -0.01 0.68 0.00 0.00 0.00 174.94 176.33 2c7c s VAL 12 N 0.50 0.37 0.11 2.92 -7.23 0.34 -0.46 120.40 116.94 2c7c s VAL 12 Ca -0.15 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2c7c s VAL 12 Cb -0.17 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2c7c s VAL 12 CO 0.05 -0.77 0.14 -1.59 -0.31 0.00 0.00 175.10 172.62 2c7c s LYS 13 N -3.93 3.03 0.15 4.82 -2.85 -0.11 -0.66 119.74 120.19 2c7c s LYS 13 Ca 0.15 -0.70 -0.21 0.00 -1.00 0.00 0.00 55.97 54.20 2c7c s LYS 13 Cb 0.07 -2.77 -0.08 0.00 -2.06 0.00 0.00 37.83 32.99 2c7c s LYS 13 CO -0.04 0.54 0.68 0.50 0.10 0.00 0.00 175.35 177.13 2c7c s ARG 14 N -2.74 4.31 0.94 1.78 3.52 -1.26 -0.56 118.95 124.95 2c7c s ARG 14 Ca 0.31 0.89 -0.14 0.00 -0.13 0.00 0.00 55.73 56.66 2c7c s ARG 14 Cb -0.11 -3.12 0.16 0.00 -1.56 0.00 0.00 34.95 30.32 2c7c s ARG 14 CO 0.24 0.54 1.19 0.15 -0.81 0.00 0.00 175.30 176.61 2c7c s LYS 15 N -1.44 0.85 -0.16 5.12 1.02 -0.24 -4.91 119.74 120.00 2c7c s LYS 15 Ca 0.36 0.03 -0.39 0.00 0.02 0.00 0.00 55.97 55.99 2c7c s LYS 15 Cb -0.19 -1.83 -0.16 0.00 -0.52 0.00 0.00 37.83 35.13 2c7c s LYS 15 CO 0.22 -2.34 1.63 0.39 -0.92 0.00 0.00 175.35 174.32 2c7c n GLU 16 N -3.81 1.20 -1.95 1.68 -0.58 -1.26 -4.82 120.64 111.09 2c7c n GLU 16 Ca 0.10 0.44 -0.42 0.00 -0.42 0.00 0.00 57.16 56.85 2c7c n GLU 16 Cb 0.60 -2.11 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 2c7c n GLU 16 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2c7c s VAL 17 N 2.61 3.03 -1.23 2.62 1.01 -1.26 -3.21 120.40 123.97 2c7c s VAL 17 Ca 0.94 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.31 2c7c s VAL 17 Cb -1.02 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2c7c s VAL 17 CO 0.59 0.00 0.69 -0.62 0.00 0.00 0.00 175.10 175.76 2c7c n GLU 18 N 5.41 -2.31 -1.35 2.72 1.02 -0.11 -4.68 120.64 121.34 2c7c n GLU 18 Ca 0.15 0.48 -0.53 0.00 -0.02 0.00 0.00 57.16 57.24 2c7c n GLU 18 Cb 0.40 -4.42 -0.11 0.00 -0.02 0.00 0.00 31.44 27.29 2c7c n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2c7c n THR 19 N -4.23 0.03 0.68 2.62 -1.04 -1.20 -4.74 114.28 106.41 2c7c n THR 19 Ca -0.18 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2c7c n THR 19 Cb 0.63 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 2c7c n THR 19 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2c7c n LYS 20 N 7.89 0.68 0.00 -2.82 4.01 -1.26 -1.46 118.16 125.20 2c7c n LYS 20 Ca 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 2c7c n LYS 20 Cb 0.04 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.32 2c7c n LYS 20 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2c7c n SER 21 N 0.44 0.53 -4.66 4.39 3.41 -1.26 -2.40 113.62 114.07 2c7c n SER 21 Ca 0.00 -1.26 -0.44 0.00 -0.26 0.00 0.00 58.87 56.92 2c7c n SER 21 Cb 0.27 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2c7c n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c7c n ALA 22 N -0.13 1.42 0.00 7.33 0.00 -0.53 -1.23 120.51 127.37 2c7c n ALA 22 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2c7c n ALA 22 Cb 0.41 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2c7c n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c7c n GLY 23 N 4.59 1.62 0.00 0.00 0.00 -1.26 -4.67 105.19 105.47 2c7c n GLY 23 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2c7c n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7c n GLY 24 N 0.00 1.00 0.13 -0.02 0.00 -0.37 -4.79 105.19 101.15 2c7c n GLY 24 Ca 0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 2c7c n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2c7c n ILE 25 N 0.00 1.75 -1.70 -0.61 5.41 -1.26 -4.90 119.36 118.05 2c7c n ILE 25 Ca 0.00 -0.68 -0.44 0.00 1.00 0.00 0.00 62.75 62.63 2c7c n ILE 25 Cb 0.00 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.30 2c7c n ILE 25 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2c7c n VAL 26 N -3.40 0.67 -2.56 1.39 0.31 -1.26 -4.91 118.33 108.58 2c7c n VAL 26 Ca -0.29 -0.17 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 2c7c n VAL 26 Cb 1.05 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 32.24 2c7c n VAL 26 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2c7c s LEU 27 N 0.20 3.59 0.23 7.52 0.20 -1.26 -4.40 118.68 124.76 2c7c s LEU 27 Ca 0.70 -1.72 -0.30 0.00 0.69 0.00 0.00 54.13 53.50 2c7c s LEU 27 Cb -0.58 -2.57 -0.09 0.00 -0.43 0.00 0.00 46.19 42.51 2c7c s LEU 27 CO 0.45 -1.44 1.20 0.28 -0.29 0.00 0.00 176.35 176.55 2c7c s THR 28 N 4.88 3.37 -0.14 3.68 -1.32 -1.01 -4.97 115.64 120.13 2c7c s THR 28 Ca 0.49 1.23 -0.12 0.00 -1.21 0.00 0.00 61.69 62.08 2c7c s THR 28 Cb 0.01 -3.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.12 2c7c s THR 28 CO -0.05 0.24 0.14 1.23 -2.21 0.00 0.00 174.62 173.97 2c7c h GLY 29 N 4.62 0.00 0.00 6.08 0.00 -1.92 -3.41 103.07 108.45 2c7c h GLY 29 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2c7c h GLY 29 CO 0.72 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.70 2c7c n SER 30 N -4.64 0.00 0.00 0.19 7.64 -1.26 -4.92 113.62 110.62 2c7c n SER 30 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2c7c n SER 30 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2c7c n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c7c n ALA 31 N -1.00 0.86 0.00 -0.43 0.00 -1.26 -5.04 120.51 113.63 2c7c n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7c n ALA 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2c7c n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c n ALA 32 N -0.56 0.00 -2.05 0.00 0.00 -1.26 -5.14 120.51 111.51 2c7c n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7c n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2c7c n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c n ALA 33 N -0.67 0.00 -2.72 0.00 0.00 -1.26 -5.18 120.51 110.67 2c7c n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7c n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2c7c n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2c7c n LYS 34 N 0.00 0.00 -3.61 0.00 3.00 -1.26 -4.84 118.16 111.44 2c7c n LYS 34 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 2c7c n LYS 34 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2c7c n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2c7c s SER 35 N 1.25 -0.28 0.00 3.14 0.15 -1.26 -0.93 113.70 115.77 2c7c s SER 35 Ca 0.00 0.40 0.16 0.00 0.70 0.00 0.00 55.95 57.20 2c7c s SER 35 Cb 0.00 0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2c7c s SER 35 CO 0.00 -0.19 0.75 0.35 1.20 0.00 0.00 173.24 175.35 2c7c n THR 36 N 1.16 0.00 -3.65 6.45 -2.24 -1.26 -4.90 114.28 109.83 2c7c n THR 36 Ca -0.09 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 2c7c n THR 36 Cb 0.57 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.82 2c7c n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c7c s ARG 37 N -2.16 4.19 0.10 -0.78 3.00 -1.26 -0.86 118.95 121.19 2c7c s ARG 37 Ca 0.10 -0.12 0.07 0.00 0.00 0.00 0.00 55.73 55.78 2c7c s ARG 37 Cb 0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 34.95 31.59 2c7c s ARG 37 CO 0.51 0.23 -0.18 0.20 0.00 0.00 0.00 175.30 176.06 2c7c s GLY 38 N 0.52 1.14 -0.21 -3.53 0.00 -0.12 -1.08 107.32 104.05 2c7c s GLY 38 Ca 0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 2c7c s GLY 38 CO 0.01 -1.23 -0.05 1.85 0.00 0.00 0.00 173.10 173.68 2c7c s GLU 39 N -2.00 3.40 -0.02 2.90 2.12 0.28 -0.51 118.70 124.87 2c7c s GLU 39 Ca 0.05 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 2c7c s GLU 39 Cb -0.09 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2c7c s GLU 39 CO 0.04 -0.12 1.15 0.08 -0.54 0.00 0.00 175.26 175.86 2c7c s VAL 40 N 1.27 4.34 -0.23 3.70 1.01 0.65 -0.94 120.40 130.20 2c7c s VAL 40 Ca 0.03 1.67 0.09 0.00 0.00 0.00 0.00 61.98 63.77 2c7c s VAL 40 Cb -0.14 -4.07 -0.21 0.00 0.00 0.00 0.00 36.38 31.96 2c7c s VAL 40 CO -0.02 0.06 -0.09 0.18 0.00 0.00 0.00 175.10 175.23 2c7c n LEU 41 N 4.59 1.71 -3.52 3.92 4.77 0.39 -2.42 117.00 126.43 2c7c n LEU 41 Ca 0.09 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 2c7c n LEU 41 Cb 0.47 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2c7c n LEU 41 CO 0.54 0.75 0.36 0.00 -1.33 0.00 0.00 177.39 177.72 2c7c s ALA 42 N -2.51 -1.55 0.05 -1.18 0.00 -0.64 -4.77 121.76 111.17 2c7c s ALA 42 Ca -0.24 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.65 2c7c s ALA 42 Cb 0.08 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2c7c s ALA 42 CO 0.70 -0.51 -0.22 0.08 0.00 0.00 0.00 175.76 175.82 2c7c s VAL 43 N -2.23 2.53 0.55 0.00 1.01 -1.26 -0.44 120.40 120.56 2c7c s VAL 43 Ca -0.06 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 2c7c s VAL 43 Cb -0.01 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2c7c s VAL 43 CO 0.00 0.32 1.24 0.61 0.00 0.00 0.00 175.10 177.27 2c7c n GLY 44 N 1.55 0.43 0.38 4.51 0.00 -0.79 -4.80 105.19 106.47 2c7c n GLY 44 Ca -0.17 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 45.99 2c7c n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2c7c h ASN 45 N 1.19 0.62 0.00 1.61 2.35 -1.86 -3.43 115.58 116.06 2c7c h ASN 45 Ca -0.50 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2c7c h ASN 45 Cb 1.32 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2c7c h ASN 45 CO 0.55 0.27 0.00 0.61 -1.65 0.00 0.00 177.43 177.21 2c7c n GLY 46 N -1.43 -2.00 3.50 2.83 0.00 -1.26 -4.97 105.19 101.85 2c7c n GLY 46 Ca 0.20 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 2c7c n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c7c s ARG 47 N -1.96 3.42 0.00 1.61 3.52 -0.05 -0.95 118.95 124.54 2c7c s ARG 47 Ca 0.00 -0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 54.80 2c7c s ARG 47 Cb 0.00 -3.73 -0.32 0.00 -1.56 0.00 0.00 34.95 29.33 2c7c s ARG 47 CO 0.00 -0.45 0.88 0.82 -0.81 0.00 0.00 175.30 175.75 2c7c h ILE 48 N 5.56 1.17 -4.09 4.11 2.04 -1.87 -1.78 117.51 122.63 2c7c h ILE 48 Ca -0.31 -2.68 -0.48 0.00 1.00 0.00 0.00 64.86 62.39 2c7c h ILE 48 Cb 1.15 2.91 0.14 0.00 -0.74 0.00 0.00 36.82 40.28 2c7c h ILE 48 CO 0.63 0.84 0.26 -0.76 0.00 0.00 0.00 178.15 179.12 2c7c s LEU 49 N -7.38 2.18 0.00 1.44 1.43 -1.26 -3.73 118.68 111.36 2c7c s LEU 49 Ca -0.11 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 2c7c s LEU 49 Cb 0.05 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2c7c s LEU 49 CO 0.90 -2.59 0.00 1.21 0.23 0.00 0.00 176.35 176.10 2c7c n GLU 50 N -3.84 0.00 0.00 1.70 4.07 -1.26 -4.76 120.64 116.55 2c7c n GLU 50 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 2c7c n GLU 50 Cb 0.56 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2c7c n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2c7c n ASN 51 N 0.00 0.00 -4.56 4.31 5.15 -1.24 -4.89 115.26 114.02 2c7c n ASN 51 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 2c7c n ASN 51 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 2c7c n ASN 51 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2c7c s GLY 52 N 0.00 0.31 0.32 8.20 0.00 -1.26 -4.71 107.32 110.19 2c7c s GLY 52 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2c7c s GLY 52 CO 0.00 3.38 0.00 1.18 0.00 0.00 0.00 173.10 177.66 2c7c n GLU 53 N 8.88 -2.77 -3.13 2.90 4.71 -1.26 -4.61 120.64 125.37 2c7c n GLU 53 Ca 0.38 1.84 -0.41 0.00 -0.01 0.00 0.00 57.16 58.96 2c7c n GLU 53 Cb 0.48 -3.37 -0.07 0.00 -1.01 0.00 0.00 31.44 27.47 2c7c n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2c7c s VAL 54 N -2.21 4.96 0.17 2.62 1.01 -1.26 -4.82 120.40 120.87 2c7c s VAL 54 Ca 0.00 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 2c7c s VAL 54 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2c7c s VAL 54 CO 0.00 -0.07 0.39 -1.59 0.00 0.00 0.00 175.10 173.82 2c7c s LYS 55 N 2.55 3.58 1.12 2.72 0.00 -0.67 -4.88 119.74 124.16 2c7c s LYS 55 Ca 0.25 -0.17 -0.17 0.00 0.00 0.00 0.00 55.97 55.88 2c7c s LYS 55 Cb -0.15 -2.84 0.25 0.00 0.00 0.00 0.00 37.83 35.09 2c7c s LYS 55 CO 0.11 0.43 1.14 -1.25 0.00 0.00 0.00 175.35 175.77 2c7c s PRO 56 N -2.91 -0.57 0.02 1.78 0.04 -1.26 -0.87 135.00 131.22 2c7c s PRO 56 Ca 0.40 0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.49 2c7c s PRO 56 Cb -0.12 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2c7c s PRO 56 CO 0.26 -3.30 -0.09 -0.51 0.04 0.00 0.00 177.00 173.41 2c7c s LEU 57 N -6.67 3.04 -0.02 -3.56 1.43 -1.26 -4.62 118.68 107.02 2c7c s LEU 57 Ca 0.70 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2c7c s LEU 57 Cb -0.11 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2c7c s LEU 57 CO 0.56 0.27 1.67 -0.67 0.23 0.00 0.00 176.35 178.40 2c7c n ASP 58 N 1.47 4.60 -4.14 2.29 4.64 -1.26 -4.77 116.55 119.37 2c7c n ASP 58 Ca -0.15 -2.31 -0.10 0.00 -1.38 0.00 0.00 54.79 50.85 2c7c n ASP 58 Cb 0.52 -0.91 -0.10 0.00 -1.04 0.00 0.00 41.12 39.59 2c7c n ASP 58 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2c7c s VAL 59 N -0.13 0.10 0.22 5.18 -7.23 -1.26 -5.08 120.40 112.20 2c7c s VAL 59 Ca 0.02 -1.89 0.10 0.00 -1.81 0.00 0.00 61.98 58.40 2c7c s VAL 59 Cb 0.01 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2c7c s VAL 59 CO 0.00 -0.45 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.55 2c7c s LYS 60 N -4.05 1.47 0.18 4.82 -2.85 -1.26 -5.09 119.74 112.97 2c7c s LYS 60 Ca 0.24 -1.58 -0.32 0.00 -1.00 0.00 0.00 55.97 53.31 2c7c s LYS 60 Cb 0.07 -1.55 -0.12 0.00 -2.06 0.00 0.00 37.83 34.18 2c7c s LYS 60 CO 0.02 0.30 1.73 0.28 0.10 0.00 0.00 175.35 177.78 2c7c n VAL 61 N -0.13 0.08 0.00 1.79 0.31 -1.26 -3.54 118.33 115.58 2c7c n VAL 61 Ca -0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2c7c n VAL 61 Cb 0.58 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2c7c n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c7c n GLY 62 N 3.96 1.97 3.73 2.92 0.00 -1.02 -5.05 105.19 111.70 2c7c n GLY 62 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2c7c n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c7c s ASP 63 N -1.53 2.37 -0.15 1.61 1.11 -1.23 -4.52 116.67 114.33 2c7c s ASP 63 Ca 0.00 0.75 0.00 0.00 0.18 0.00 0.00 52.55 53.48 2c7c s ASP 63 Cb 0.00 -1.12 -0.01 0.00 1.07 0.00 0.00 42.92 42.86 2c7c s ASP 63 CO 0.00 -3.24 -0.14 -0.63 1.18 0.00 0.00 175.17 172.34 2c7c s ILE 64 N -3.25 2.79 0.15 0.77 1.01 -1.26 -0.25 121.20 121.15 2c7c s ILE 64 Ca 0.68 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2c7c s ILE 64 Cb -0.12 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2c7c s ILE 64 CO 0.55 0.51 -0.04 0.68 0.00 0.00 0.00 174.94 176.64 2c7c s VAL 65 N 0.70 0.79 -0.13 2.92 -7.23 0.34 -4.85 120.40 112.93 2c7c s VAL 65 Ca -0.07 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 2c7c s VAL 65 Cb -0.16 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2c7c s VAL 65 CO 0.02 -0.65 0.00 -0.63 -0.31 0.00 0.00 175.10 173.53 2c7c s ILE 66 N -3.58 4.30 0.09 -0.62 1.01 0.04 -0.95 121.20 121.50 2c7c s ILE 66 Ca 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2c7c s ILE 66 Cb 0.05 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2c7c s ILE 66 CO 0.01 0.53 -0.06 0.72 0.00 0.00 0.00 174.94 176.13 2c7c s PHE 67 N -0.13 0.86 -0.03 3.97 -0.12 -0.04 0.00 117.98 122.48 2c7c s PHE 67 Ca 0.05 -0.89 -0.14 0.00 -0.05 0.00 0.00 56.93 55.89 2c7c s PHE 67 Cb -0.13 -0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 41.71 2c7c s PHE 67 CO 0.02 -0.16 0.39 1.21 -0.05 0.00 0.00 175.22 176.63 2c7c s ASN 68 N -2.93 6.74 -1.48 1.98 3.04 -0.29 -4.61 114.94 117.39 2c7c s ASN 68 Ca 0.10 0.87 -0.09 0.00 0.04 0.00 0.00 52.86 53.79 2c7c s ASN 68 Cb 0.04 -2.24 0.02 0.00 -1.54 0.00 0.00 41.25 37.53 2c7c s ASN 68 CO -0.05 0.28 2.60 -0.67 -3.04 0.00 0.00 177.10 176.22 2c7c n ASP 69 N 2.19 7.67 -4.95 -4.21 2.03 -1.26 -4.82 116.55 113.19 2c7c n ASP 69 Ca -0.13 -2.84 -0.24 0.00 0.52 0.00 0.00 54.79 52.10 2c7c n ASP 69 Cb 0.52 -1.50 0.02 0.00 -0.72 0.00 0.00 41.12 39.45 2c7c n ASP 69 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2c7c s GLY 70 N 1.57 2.14 0.63 0.27 0.00 -1.26 -5.00 107.32 105.67 2c7c s GLY 70 Ca 0.59 -1.58 0.37 0.00 0.00 0.00 0.00 44.72 44.10 2c7c s GLY 70 CO -0.07 -1.85 2.12 -1.82 0.00 0.00 0.00 173.10 171.47 2c7c h TYR 71 N 0.52 0.00 0.00 1.90 3.20 -2.03 0.29 116.97 120.85 2c7c h TYR 71 Ca -0.34 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.51 2c7c h TYR 71 Cb 1.30 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 2c7c h TYR 71 CO 0.79 0.00 -0.10 0.78 -1.64 0.00 0.00 178.16 177.99 2c7c h GLY 72 N 0.00 0.00 -6.71 1.82 0.00 -1.94 -3.41 103.07 92.83 2c7c h GLY 72 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2c7c h GLY 72 CO 0.00 0.00 1.04 0.14 0.00 0.00 0.00 176.54 177.72 2c7c s VAL 73 N -4.22 3.97 0.43 4.60 1.01 0.09 -4.16 120.40 122.12 2c7c s VAL 73 Ca -0.03 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.02 2c7c s VAL 73 Cb 0.13 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2c7c s VAL 73 CO 0.57 -0.79 0.33 -0.54 0.00 0.00 0.00 175.10 174.67 2c7c s LYS 74 N 4.80 2.42 -0.04 2.72 -0.14 0.36 -4.97 119.74 124.90 2c7c s LYS 74 Ca 0.58 -1.66 -0.23 0.00 -1.36 0.00 0.00 55.97 53.30 2c7c s LYS 74 Cb -0.13 -2.25 0.05 0.00 -1.68 0.00 0.00 37.83 33.82 2c7c s LYS 74 CO 0.32 -0.22 0.50 0.45 -0.76 0.00 0.00 175.35 175.63 2c7c s SER 75 N -4.09 -0.43 0.24 2.83 0.15 -1.26 -1.17 113.70 109.97 2c7c s SER 75 Ca 0.45 0.42 -0.22 0.00 0.70 0.00 0.00 55.95 57.31 2c7c s SER 75 Cb -0.01 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2c7c s SER 75 CO 0.26 -0.52 0.69 -1.61 1.20 0.00 0.00 173.24 173.25 2c7c s GLU 76 N -1.22 1.63 -0.60 5.44 0.41 -0.26 -4.99 118.70 119.11 2c7c s GLU 76 Ca -0.12 -0.83 -0.02 0.00 -0.41 0.00 0.00 54.97 53.59 2c7c s GLU 76 Cb -0.03 0.60 0.16 0.00 -1.78 0.00 0.00 34.13 33.08 2c7c s GLU 76 CO 0.07 -0.74 0.41 0.21 -0.49 0.00 0.00 175.26 174.72 2c7c s LYS 77 N -3.86 2.48 -0.20 1.61 2.47 -1.26 -0.43 119.74 120.55 2c7c s LYS 77 Ca 0.08 -2.49 -0.04 0.00 -1.56 0.00 0.00 55.97 51.96 2c7c s LYS 77 Cb -0.04 -3.69 -0.01 0.00 -1.46 0.00 0.00 37.83 32.62 2c7c s LYS 77 CO 0.01 -1.16 -0.04 0.42 0.16 0.00 0.00 175.35 174.73 2c7c s ILE 78 N 0.00 3.49 -0.69 5.43 1.09 -0.42 -4.52 121.20 125.59 2c7c s ILE 78 Ca 0.16 -0.47 0.00 0.00 -1.10 0.00 0.00 60.65 59.25 2c7c s ILE 78 Cb -0.21 -2.57 0.00 0.00 -1.06 0.00 0.00 42.46 38.63 2c7c s ILE 78 CO -0.03 0.44 0.00 0.47 -0.10 0.00 0.00 174.94 175.72 2c7c n ASP 79 N 4.43 -4.81 0.00 3.58 8.00 -1.26 -0.46 116.55 126.03 2c7c n ASP 79 Ca -0.18 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2c7c n ASP 79 Cb 0.51 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 2c7c n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2c7c n ASN 80 N -0.56 0.00 -4.78 -2.24 2.85 -1.26 -5.09 115.26 104.18 2c7c n ASN 80 Ca -0.06 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.03 2c7c n ASN 80 Cb 0.47 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.43 2c7c n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2c7c s GLU 81 N -0.67 4.58 -0.80 1.20 8.01 0.39 -5.01 118.70 126.41 2c7c s GLU 81 Ca 0.00 1.25 -0.25 0.00 0.01 0.00 0.00 54.97 55.98 2c7c s GLU 81 Cb 0.00 -2.97 0.04 0.00 -4.31 0.00 0.00 34.13 26.89 2c7c s GLU 81 CO 0.00 0.39 1.27 -1.21 0.01 0.00 0.00 175.26 175.72 2c7c s GLU 82 N -1.75 3.28 -0.19 1.61 0.41 -1.26 -1.30 118.70 119.50 2c7c s GLU 82 Ca 0.45 -0.54 -0.09 0.00 -0.41 0.00 0.00 54.97 54.38 2c7c s GLU 82 Cb -0.20 -4.46 -0.05 0.00 -1.78 0.00 0.00 34.13 27.64 2c7c s GLU 82 CO 0.25 -2.11 0.12 0.14 -0.49 0.00 0.00 175.26 173.17 2c7c s VAL 83 N 5.29 5.33 0.06 2.63 -7.23 0.42 -4.73 120.40 122.18 2c7c s VAL 83 Ca 0.36 0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 60.63 2c7c s VAL 83 Cb -0.07 -3.42 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 2c7c s VAL 83 CO 0.08 0.45 0.31 -0.76 -0.31 0.00 0.00 175.10 174.88 2c7c s LEU 84 N 0.27 4.34 -0.02 1.32 1.02 0.17 -1.10 118.68 124.68 2c7c s LEU 84 Ca 0.08 0.56 0.02 0.00 0.02 0.00 0.00 54.13 54.81 2c7c s LEU 84 Cb -0.11 -2.93 0.00 0.00 0.02 0.00 0.00 46.19 43.17 2c7c s LEU 84 CO -0.01 0.18 -0.06 -0.63 0.02 0.00 0.00 176.35 175.84 2c7c s ILE 85 N -1.44 0.51 0.31 -0.59 1.01 -0.31 -0.51 121.20 120.19 2c7c s ILE 85 Ca 0.33 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 2c7c s ILE 85 Cb -0.13 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.90 2c7c s ILE 85 CO 0.20 0.17 0.64 0.00 0.00 0.00 0.00 174.94 175.95 2c7c s MET 86 N 0.16 1.89 0.50 2.79 0.23 -0.49 -0.49 119.30 123.89 2c7c s MET 86 Ca -0.02 -1.32 -0.06 0.00 -1.03 0.00 0.00 55.69 53.26 2c7c s MET 86 Cb -0.06 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 2c7c s MET 86 CO -0.00 -0.84 0.83 -1.54 -2.03 0.00 0.00 175.02 171.44 2c7c s SER 87 N -3.04 6.27 0.39 -1.18 1.04 -1.26 0.00 113.70 115.92 2c7c s SER 87 Ca 0.18 1.03 0.08 0.00 0.48 0.00 0.00 55.95 57.72 2c7c s SER 87 Cb -0.03 -2.29 0.84 0.00 0.10 0.00 0.00 66.02 64.63 2c7c s SER 87 CO 0.11 -0.62 2.00 -0.08 0.98 0.00 0.00 173.24 175.63 2c7c h GLU 88 N 0.18 0.60 0.00 4.02 4.81 -1.96 -1.63 114.58 120.59 2c7c h GLU 88 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2c7c h GLU 88 Cb 1.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2c7c h GLU 88 CO 0.62 0.40 0.00 -1.13 -0.73 0.00 0.00 179.01 178.16 2c7c n SER 89 N -4.47 0.00 0.01 1.04 3.41 -1.26 -1.00 113.62 111.35 2c7c n SER 89 Ca 0.08 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 2c7c n SER 89 Cb 0.19 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 2c7c n SER 89 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2c7c n ASP 90 N -1.33 0.71 -4.72 4.04 8.00 -0.61 -4.98 116.55 117.66 2c7c n ASP 90 Ca 0.01 -0.59 -0.41 0.00 0.71 0.00 0.00 54.79 54.52 2c7c n ASP 90 Cb 0.03 0.98 -0.04 0.00 -0.02 0.00 0.00 41.12 42.07 2c7c n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c7c s ILE 91 N -3.11 4.75 -0.22 0.53 1.01 -0.17 -1.14 121.20 122.86 2c7c s ILE 91 Ca 0.05 1.89 0.02 0.00 0.00 0.00 0.00 60.65 62.62 2c7c s ILE 91 Cb 0.16 -4.24 -0.20 0.00 0.01 0.00 0.00 42.46 38.18 2c7c s ILE 91 CO 0.84 0.26 -0.04 0.18 0.00 0.00 0.00 174.94 176.18 2c7c n LEU 92 N 3.32 2.52 -3.56 2.97 4.77 0.10 -4.92 117.00 122.21 2c7c n LEU 92 Ca 0.02 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 2c7c n LEU 92 Cb 0.50 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2c7c n LEU 92 CO 0.50 0.86 0.80 0.00 -1.33 0.00 0.00 177.39 178.22 2c7c s ALA 93 N -2.53 -1.92 0.00 -1.18 0.00 -1.01 -5.01 121.76 110.11 2c7c s ALA 93 Ca -0.29 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2c7c s ALA 93 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2c7c s ALA 93 CO 0.67 -0.50 0.00 -0.89 0.00 0.00 0.00 175.76 175.04 2c7c n ILE 94 N 0.22 0.00 0.00 0.00 5.41 -1.26 -0.78 119.36 122.95 2c7c n ILE 94 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2c7c n ILE 94 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 2c7c n ILE 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07