#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 3.26 0.34 6.28 6.06 -1.26 -4.95 118.95 128.68 2c7c s ARG 4 Ca 0.00 -0.49 -0.29 0.00 -2.50 0.00 0.00 55.73 52.46 2c7c s ARG 4 Cb 0.00 -4.04 -0.11 0.00 0.06 0.00 0.00 34.95 30.86 2c7c s ARG 4 CO 0.00 -1.27 1.46 -1.25 -2.50 0.00 0.00 175.30 171.75 2c7c s PRO 5 N 3.20 4.18 -1.08 5.12 0.04 -1.26 -4.94 135.00 140.27 2c7c s PRO 5 Ca 0.24 2.48 -0.07 0.00 0.04 0.00 0.00 61.00 63.68 2c7c s PRO 5 Cb -0.15 -3.01 0.28 0.00 0.04 0.00 0.00 34.50 31.66 2c7c s PRO 5 CO 0.17 -0.47 1.13 -0.11 0.04 0.00 0.00 177.00 177.76 2c7c n LEU 6 N 0.95 5.47 -1.60 -3.56 -0.00 -1.26 -3.54 117.00 113.45 2c7c n LEU 6 Ca 0.02 -5.09 0.00 0.00 -0.00 0.00 0.00 56.01 50.94 2c7c n LEU 6 Cb 0.40 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 2c7c n LEU 6 CO 0.62 1.45 -0.23 0.00 -0.00 0.00 0.00 177.39 179.24 2c7c n HIS 7 N 2.36 -2.25 0.00 1.96 1.44 -1.26 -4.51 115.22 112.96 2c7c n HIS 7 Ca 0.24 1.18 0.00 0.00 -2.01 0.00 0.00 57.72 57.13 2c7c n HIS 7 Cb 0.38 -1.98 0.00 0.00 0.12 0.00 0.00 29.99 28.50 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 0.12 0.00 -4.76 4.39 2.03 0.01 -4.93 116.55 113.41 2c7c n ASP 8 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2c7c n ASP 8 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2c7c n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2c7c s ARG 9 N 0.00 3.31 0.10 -0.67 1.81 -1.26 -2.87 118.95 119.37 2c7c s ARG 9 Ca 0.00 1.96 0.08 0.00 -1.72 0.00 0.00 55.73 56.05 2c7c s ARG 9 Cb 0.00 -2.22 -0.03 0.00 -0.45 0.00 0.00 34.95 32.25 2c7c s ARG 9 CO 0.00 -0.97 -0.21 0.08 -0.68 0.00 0.00 175.30 173.52 2c7c s VAL 10 N -1.47 1.69 -0.13 3.52 1.01 0.10 -0.95 120.40 124.18 2c7c s VAL 10 Ca 0.70 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2c7c s VAL 10 Cb -0.33 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2c7c s VAL 10 CO 0.39 -0.05 -0.21 -0.63 0.00 0.00 0.00 175.10 174.61 2c7c s ILE 11 N -1.14 1.93 0.01 2.22 1.01 0.29 -1.58 121.20 123.94 2c7c s ILE 11 Ca 0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 2c7c s ILE 11 Cb -0.10 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 2c7c s ILE 11 CO 0.04 0.53 0.05 0.68 0.00 0.00 0.00 174.94 176.23 2c7c s VAL 12 N 0.76 0.09 -0.26 2.92 -7.23 0.28 -0.52 120.40 116.45 2c7c s VAL 12 Ca -0.09 -0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 2c7c s VAL 12 Cb -0.16 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 2c7c s VAL 12 CO 0.00 -0.41 0.32 -1.59 -0.31 0.00 0.00 175.10 173.11 2c7c s LYS 13 N -1.31 4.02 0.25 4.82 -2.85 -0.09 -0.70 119.74 123.88 2c7c s LYS 13 Ca -0.14 -0.04 -0.30 0.00 -1.00 0.00 0.00 55.97 54.49 2c7c s LYS 13 Cb -0.08 -3.64 -0.09 0.00 -2.06 0.00 0.00 37.83 31.96 2c7c s LYS 13 CO 0.00 -0.21 1.24 0.50 0.10 0.00 0.00 175.35 176.97 2c7c s ARG 14 N 1.88 4.46 1.10 1.78 3.52 -1.26 -0.82 118.95 129.60 2c7c s ARG 14 Ca 0.13 2.00 -0.13 0.00 -0.13 0.00 0.00 55.73 57.60 2c7c s ARG 14 Cb -0.16 -3.17 0.24 0.00 -1.56 0.00 0.00 34.95 30.31 2c7c s ARG 14 CO 0.10 -0.09 1.06 0.15 -0.81 0.00 0.00 175.30 175.71 2c7c s LYS 15 N -0.91 -0.38 -0.19 5.12 -0.14 -0.52 -4.89 119.74 117.84 2c7c s LYS 15 Ca 0.51 0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 55.38 2c7c s LYS 15 Cb -0.36 -1.64 -0.07 0.00 -1.68 0.00 0.00 37.83 34.08 2c7c s LYS 15 CO 0.43 -3.29 2.15 -0.85 -0.76 0.00 0.00 175.35 173.02 2c7c n GLU 16 N -4.57 1.98 -1.70 1.68 0.00 -1.26 -4.88 120.64 111.89 2c7c n GLU 16 Ca 0.04 0.60 -0.44 0.00 0.00 0.00 0.00 57.16 57.37 2c7c n GLU 16 Cb 0.56 -3.01 -0.02 0.00 0.00 0.00 0.00 31.44 28.97 2c7c n GLU 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2c7c n VAL 17 N 7.04 0.80 -3.47 3.84 0.31 -1.26 -3.25 118.33 122.34 2c7c n VAL 17 Ca 0.30 -0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.29 2c7c n VAL 17 Cb 0.39 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2c7c n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2c7c n GLU 18 N 2.37 -1.44 -1.88 5.55 1.02 -0.49 -4.85 120.64 120.92 2c7c n GLU 18 Ca 0.11 1.09 -0.38 0.00 -0.02 0.00 0.00 57.16 57.97 2c7c n GLU 18 Cb 0.33 -3.84 -0.03 0.00 -0.02 0.00 0.00 31.44 27.88 2c7c n GLU 18 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2c7c s THR 19 N -3.00 3.24 -0.80 2.62 2.01 -1.20 -4.84 115.64 113.66 2c7c s THR 19 Ca 0.00 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 2c7c s THR 19 Cb -0.00 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 2c7c s THR 19 CO 0.83 -0.61 1.97 0.29 -0.69 0.00 0.00 174.62 176.41 2c7c n LYS 20 N 9.13 1.71 -0.23 4.92 4.01 -1.26 -3.51 118.16 132.94 2c7c n LYS 20 Ca 0.26 -1.59 0.00 0.00 -0.51 0.00 0.00 58.31 56.47 2c7c n LYS 20 Cb 0.53 -2.64 0.00 0.00 -0.51 0.00 0.00 35.03 32.41 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 5.76 0.00 0.00 4.39 3.41 -1.17 -4.49 113.62 121.52 2c7c n SER 21 Ca 0.45 -0.57 0.06 0.00 -0.26 0.00 0.00 58.87 58.54 2c7c n SER 21 Cb 0.25 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.00 2.48 0.08 7.33 0.00 -1.23 -3.74 120.51 125.43 2c7c n ALA 22 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2c7c n ALA 22 Cb 0.29 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 0.58 -1.36 0.00 0.00 0.00 -1.24 -5.03 105.19 98.14 2c7c n GLY 23 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.22 0.37 0.27 -0.02 0.00 -1.25 -4.59 105.19 101.19 2c7c n GLY 24 Ca -0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 2c7c n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2c7c h ILE 25 N 0.00 1.27 -2.86 -0.61 2.04 -1.98 -3.46 117.51 111.91 2c7c h ILE 25 Ca 0.00 -1.46 -0.53 0.00 1.00 0.00 0.00 64.86 63.88 2c7c h ILE 25 Cb 0.00 1.25 0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2c7c h ILE 25 CO 0.00 0.49 0.85 -0.69 0.00 0.00 0.00 178.15 178.80 2c7c s VAL 26 N -4.55 2.87 -1.33 1.67 1.01 -1.26 -4.93 120.40 113.88 2c7c s VAL 26 Ca -0.11 0.59 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 2c7c s VAL 26 Cb 0.12 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 33.19 2c7c s VAL 26 CO 0.87 0.04 1.85 -0.11 0.00 0.00 0.00 175.10 177.75 2c7c n LEU 27 N 4.16 5.56 -4.75 3.92 0.00 -1.26 -3.59 117.00 121.05 2c7c n LEU 27 Ca 0.13 -4.07 -0.41 0.00 0.00 0.00 0.00 56.01 51.67 2c7c n LEU 27 Cb 0.40 -1.70 -0.02 0.00 0.00 0.00 0.00 43.42 42.09 2c7c n LEU 27 CO 0.61 0.52 1.04 0.28 0.00 0.00 0.00 177.39 179.84 2c7c s THR 28 N 3.51 2.85 0.00 1.96 -1.32 -1.26 -4.91 115.64 116.48 2c7c s THR 28 Ca 0.50 0.74 0.00 0.00 -1.21 0.00 0.00 61.69 61.72 2c7c s THR 28 Cb 0.06 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 2c7c s THR 28 CO 0.02 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 2c7c n GLY 29 N 2.00 1.87 3.72 6.08 0.00 -1.26 -3.02 105.19 114.59 2c7c n GLY 29 Ca 0.05 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2c7c n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c7c s SER 30 N -1.00 7.12 0.00 1.61 0.01 -1.26 -4.78 113.70 115.40 2c7c s SER 30 Ca 0.00 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2c7c s SER 30 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2c7c s SER 30 CO 0.00 -0.40 0.10 0.00 0.41 0.00 0.00 173.24 173.35 2c7c n ALA 31 N 3.38 0.87 0.00 1.44 0.00 -1.26 -5.04 120.51 119.90 2c7c n ALA 31 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2c7c n ALA 31 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.00 -1.94 0.00 0.00 -1.26 -5.13 120.51 112.18 2c7c n ALA 32 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2c7c n ALA 32 Cb 0.47 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.05 2c7c n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c s ALA 33 N -2.00 2.84 0.00 0.00 0.00 -1.26 -5.13 121.76 116.21 2c7c s ALA 33 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2c7c s ALA 33 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2c7c s ALA 33 CO 0.00 -1.89 0.00 1.17 0.00 0.00 0.00 175.76 175.04 2c7c n LYS 34 N -3.31 1.27 -3.59 0.00 3.00 -1.26 -4.59 118.16 109.67 2c7c n LYS 34 Ca 0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.28 2c7c n LYS 34 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.56 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 0.59 -0.62 0.00 3.14 0.15 -1.26 -1.39 113.70 114.31 2c7c s SER 35 Ca 0.00 0.85 0.09 0.00 0.70 0.00 0.00 55.95 57.60 2c7c s SER 35 Cb 0.00 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 2c7c s SER 35 CO 0.00 -0.46 0.59 0.35 1.20 0.00 0.00 173.24 174.91 2c7c n THR 36 N 1.56 0.00 -3.65 6.45 -2.24 -1.26 -4.90 114.28 110.24 2c7c n THR 36 Ca -0.18 -0.39 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 2c7c n THR 36 Cb 0.56 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.34 3.85 -0.13 -0.78 3.00 -1.26 -0.81 118.95 121.47 2c7c s ARG 37 Ca 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 55.73 55.45 2c7c s ARG 37 Cb 0.07 -3.54 0.01 0.00 0.00 0.00 0.00 34.95 31.49 2c7c s ARG 37 CO 0.25 -0.18 -0.21 0.20 0.00 0.00 0.00 175.30 175.35 2c7c s GLY 38 N 1.70 1.31 -0.39 -3.53 0.00 -0.21 -1.43 107.32 104.77 2c7c s GLY 38 Ca 0.07 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 2c7c s GLY 38 CO 0.08 -0.02 1.08 1.85 0.00 0.00 0.00 173.10 176.10 2c7c s GLU 39 N 0.80 3.88 0.03 2.90 2.12 -0.00 -0.61 118.70 127.81 2c7c s GLU 39 Ca -0.08 0.78 -0.30 0.00 0.36 0.00 0.00 54.97 55.73 2c7c s GLU 39 Cb -0.16 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2c7c s GLU 39 CO -0.01 -1.12 1.13 0.08 -0.54 0.00 0.00 175.26 174.81 2c7c s VAL 40 N 3.97 4.30 -0.13 3.70 1.01 0.44 -0.91 120.40 132.78 2c7c s VAL 40 Ca 0.45 1.65 0.07 0.00 0.00 0.00 0.00 61.98 64.15 2c7c s VAL 40 Cb -0.10 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 2c7c s VAL 40 CO 0.23 0.12 -0.03 0.18 0.00 0.00 0.00 175.10 175.60 2c7c n LEU 41 N 4.04 1.18 -3.51 3.92 4.77 0.32 -1.68 117.00 126.04 2c7c n LEU 41 Ca 0.08 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2c7c n LEU 41 Cb 0.48 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2c7c n LEU 41 CO 0.54 0.47 0.35 0.00 -1.33 0.00 0.00 177.39 177.42 2c7c s ALA 42 N -2.28 -1.50 0.00 -1.18 0.00 -0.75 -4.90 121.76 111.14 2c7c s ALA 42 Ca -0.11 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.58 2c7c s ALA 42 Cb 0.04 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 2c7c s ALA 42 CO 0.42 -0.57 -0.12 0.08 0.00 0.00 0.00 175.76 175.56 2c7c s VAL 43 N -2.68 0.98 1.19 0.00 1.01 -1.26 -0.55 120.40 119.08 2c7c s VAL 43 Ca -0.04 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2c7c s VAL 43 Cb -0.00 -0.84 0.28 0.00 0.00 0.00 0.00 36.38 35.82 2c7c s VAL 43 CO -0.04 0.20 1.07 -0.83 0.00 0.00 0.00 175.10 175.50 2c7c s GLY 44 N -0.50 1.55 0.00 4.51 0.00 -0.13 -4.70 107.32 108.05 2c7c s GLY 44 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2c7c s GLY 44 CO -0.00 0.10 0.79 0.70 0.00 0.00 0.00 173.10 174.69 2c7c n ASN 45 N -4.79 2.24 -0.04 1.64 3.02 -1.23 -4.89 115.26 111.20 2c7c n ASN 45 Ca 0.10 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 2c7c n ASN 45 Cb 0.59 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2c7c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c7c n GLY 46 N 1.07 -0.97 3.09 7.41 0.00 -1.26 -4.85 105.19 109.68 2c7c n GLY 46 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 2.64 -0.07 1.61 3.52 0.03 -0.81 118.95 125.88 2c7c s ARG 47 Ca 0.00 -0.71 0.16 0.00 -0.13 0.00 0.00 55.73 55.05 2c7c s ARG 47 Cb 0.00 -2.26 -0.24 0.00 -1.56 0.00 0.00 34.95 30.90 2c7c s ARG 47 CO 0.00 -0.13 0.26 -0.89 -0.81 0.00 0.00 175.30 173.73 2c7c n ILE 48 N 4.41 0.35 -0.89 4.11 5.41 -1.26 -1.46 119.36 130.03 2c7c n ILE 48 Ca -0.19 -0.47 -0.31 0.00 1.00 0.00 0.00 62.75 62.78 2c7c n ILE 48 Cb 0.51 -0.11 0.15 0.00 -0.71 0.00 0.00 39.64 39.47 2c7c n ILE 48 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2c7c s LEU 49 N -4.48 2.61 0.00 1.39 1.43 -1.26 -3.92 118.68 114.45 2c7c s LEU 49 Ca -0.07 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2c7c s LEU 49 Cb 0.09 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.95 2c7c s LEU 49 CO 0.67 -2.88 0.00 1.21 0.23 0.00 0.00 176.35 175.58 2c7c n GLU 50 N -4.08 0.00 0.00 1.70 2.13 -1.26 -4.73 120.64 114.41 2c7c n GLU 50 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2c7c n GLU 50 Cb 0.53 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.17 2c7c n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2c7c n ASN 51 N 0.00 0.00 -3.22 4.31 5.15 -1.25 -4.84 115.26 115.41 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 -0.30 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 2c7c n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2c7c n GLY 52 N -1.14 3.61 7.00 8.20 0.00 -1.26 -4.89 105.19 116.71 2c7c n GLY 52 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2c7c n GLY 52 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2c7c n GLU 53 N 3.90 0.00 -3.98 1.61 4.07 -1.26 -4.79 120.64 120.19 2c7c n GLU 53 Ca 0.60 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 57.35 2c7c n GLU 53 Cb 0.18 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.47 2c7c n GLU 53 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2c7c s VAL 54 N 0.00 4.90 0.02 6.31 1.01 -1.26 -4.80 120.40 126.58 2c7c s VAL 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2c7c s VAL 54 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2c7c s VAL 54 CO 0.00 0.48 0.11 -1.59 0.00 0.00 0.00 175.10 174.10 2c7c s LYS 55 N 0.18 3.12 0.87 2.72 0.00 -0.53 -4.91 119.74 121.19 2c7c s LYS 55 Ca 0.05 -0.51 -0.13 0.00 0.00 0.00 0.00 55.97 55.38 2c7c s LYS 55 Cb -0.12 -2.88 0.12 0.00 0.00 0.00 0.00 37.83 34.95 2c7c s LYS 55 CO 0.00 0.63 1.20 -1.25 0.00 0.00 0.00 175.35 175.93 2c7c s PRO 56 N -2.03 1.46 0.09 1.78 0.04 -1.26 -0.79 135.00 134.29 2c7c s PRO 56 Ca 0.27 0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.39 2c7c s PRO 56 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2c7c s PRO 56 CO 0.18 -1.93 -0.08 -0.51 0.04 0.00 0.00 177.00 174.71 2c7c s LEU 57 N -5.76 3.13 0.00 -3.56 1.43 -1.26 -4.73 118.68 107.94 2c7c s LEU 57 Ca 0.65 -0.32 0.22 0.00 -1.03 0.00 0.00 54.13 53.65 2c7c s LEU 57 Cb -0.10 -1.90 0.54 0.00 0.03 0.00 0.00 46.19 44.75 2c7c s LEU 57 CO 0.51 0.19 1.45 -0.67 0.23 0.00 0.00 176.35 178.05 2c7c n ASP 58 N 0.75 2.75 -4.98 2.29 4.64 -1.26 -4.91 116.55 115.83 2c7c n ASP 58 Ca -0.13 -1.89 -0.20 0.00 -1.38 0.00 0.00 54.79 51.19 2c7c n ASP 58 Cb 0.52 -0.18 -0.01 0.00 -1.04 0.00 0.00 41.12 40.41 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 -1.63 4.71 0.08 5.18 -7.23 -1.26 -5.15 120.40 115.10 2c7c s VAL 59 Ca 0.36 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 2c7c s VAL 59 Cb 0.21 -3.66 0.02 0.00 0.56 0.00 0.00 36.38 33.51 2c7c s VAL 59 CO 0.29 -0.27 0.31 -1.59 -0.31 0.00 0.00 175.10 173.53 2c7c s LYS 60 N -4.10 0.90 0.14 4.82 0.00 -1.26 -5.01 119.74 115.22 2c7c s LYS 60 Ca 0.39 -0.68 -0.30 0.00 0.00 0.00 0.00 55.97 55.38 2c7c s LYS 60 Cb -0.09 0.39 -0.08 0.00 0.00 0.00 0.00 37.83 38.05 2c7c s LYS 60 CO 0.31 -0.31 1.26 0.08 0.00 0.00 0.00 175.35 176.69 2c7c s VAL 61 N -3.26 3.55 0.00 1.79 1.01 -1.26 -3.15 120.40 119.07 2c7c s VAL 61 Ca -0.00 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2c7c s VAL 61 Cb 0.01 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2c7c s VAL 61 CO -0.08 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2c7c n GLY 62 N 2.77 0.46 3.81 4.51 0.00 -0.68 -5.02 105.19 111.05 2c7c n GLY 62 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.36 4.00 -0.34 1.61 1.01 -1.19 -4.75 116.67 114.65 2c7c s ASP 63 Ca 0.00 1.04 -0.02 0.00 0.71 0.00 0.00 52.55 54.28 2c7c s ASP 63 Cb 0.00 -1.65 0.08 0.00 1.01 0.00 0.00 42.92 42.35 2c7c s ASP 63 CO 0.00 -2.25 0.08 -0.63 0.21 0.00 0.00 175.17 172.58 2c7c s ILE 64 N -3.29 3.07 0.33 0.77 1.01 -1.26 -0.42 121.20 121.41 2c7c s ILE 64 Ca 0.62 -1.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 2c7c s ILE 64 Cb -0.14 -2.93 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 2c7c s ILE 64 CO 0.53 -0.36 0.68 0.68 0.00 0.00 0.00 174.94 176.47 2c7c s VAL 65 N 1.19 4.84 -0.26 2.92 -7.23 0.22 -4.83 120.40 117.24 2c7c s VAL 65 Ca 0.01 0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 60.60 2c7c s VAL 65 Cb -0.21 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 2c7c s VAL 65 CO -0.03 -0.33 0.30 -0.63 -0.31 0.00 0.00 175.10 174.10 2c7c s ILE 66 N -2.14 5.24 0.07 -0.62 1.01 0.29 -1.04 121.20 124.01 2c7c s ILE 66 Ca 0.50 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.61 2c7c s ILE 66 Cb -0.10 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2c7c s ILE 66 CO 0.26 0.21 -0.11 0.72 0.00 0.00 0.00 174.94 176.03 2c7c s PHE 67 N 1.79 1.01 0.47 3.97 -0.12 0.01 -0.31 117.98 124.81 2c7c s PHE 67 Ca 0.12 -0.52 -0.16 0.00 -0.05 0.00 0.00 56.93 56.32 2c7c s PHE 67 Cb -0.15 -0.57 -0.08 0.00 -0.63 0.00 0.00 43.02 41.59 2c7c s PHE 67 CO 0.09 -0.00 0.93 1.21 -0.05 0.00 0.00 175.22 177.40 2c7c s ASN 68 N -1.86 6.65 -1.53 1.98 3.04 -0.07 -4.52 114.94 118.63 2c7c s ASN 68 Ca -0.03 1.48 -0.10 0.00 0.04 0.00 0.00 52.86 54.26 2c7c s ASN 68 Cb -0.08 -2.47 -0.08 0.00 -1.54 0.00 0.00 41.25 37.08 2c7c s ASN 68 CO 0.01 -0.50 2.83 -0.67 -3.04 0.00 0.00 177.10 175.73 2c7c n ASP 69 N -1.34 8.11 -4.93 -4.21 4.64 -1.26 -4.87 116.55 112.68 2c7c n ASP 69 Ca 0.06 -2.55 -0.20 0.00 -1.38 0.00 0.00 54.79 50.71 2c7c n ASP 69 Cb 0.54 -1.50 0.05 0.00 -1.04 0.00 0.00 41.12 39.16 2c7c n ASP 69 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2c7c s GLY 70 N 2.37 1.83 0.54 0.27 0.00 -1.26 -4.99 107.32 106.08 2c7c s GLY 70 Ca 0.65 -1.59 0.26 0.00 0.00 0.00 0.00 44.72 44.04 2c7c s GLY 70 CO -0.06 -1.25 2.14 -1.82 0.00 0.00 0.00 173.10 172.11 2c7c h TYR 71 N 0.09 0.00 0.00 1.90 3.20 -2.01 -1.78 116.97 118.37 2c7c h TYR 71 Ca -0.39 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.43 2c7c h TYR 71 Cb 1.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 2c7c h TYR 71 CO 0.27 0.08 -0.26 0.78 -1.64 0.00 0.00 178.16 177.39 2c7c h GLY 72 N 0.44 0.00 -6.30 1.82 0.00 -1.95 -3.44 103.07 93.64 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 0.01 0.00 1.23 0.14 0.00 0.00 0.00 176.54 177.92 2c7c s VAL 73 N -3.36 3.46 0.08 4.60 1.01 -0.67 -4.11 120.40 121.41 2c7c s VAL 73 Ca 0.03 0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2c7c s VAL 73 Cb 0.08 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2c7c s VAL 73 CO 0.67 -0.24 -0.24 -0.54 0.00 0.00 0.00 175.10 174.75 2c7c s LYS 74 N 5.13 1.70 0.28 2.72 -0.14 -0.09 -4.92 119.74 124.43 2c7c s LYS 74 Ca 0.80 -1.18 0.07 0.00 -1.36 0.00 0.00 55.97 54.30 2c7c s LYS 74 Cb -0.28 -2.00 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 2c7c s LYS 74 CO 0.33 0.49 0.21 0.45 -0.76 0.00 0.00 175.35 176.06 2c7c s SER 75 N -1.69 5.37 0.13 2.83 0.15 -1.26 -1.07 113.70 118.16 2c7c s SER 75 Ca 0.14 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.17 2c7c s SER 75 Cb -0.10 -1.23 0.08 0.00 -1.71 0.00 0.00 66.02 63.06 2c7c s SER 75 CO 0.05 -0.13 1.03 -1.61 1.20 0.00 0.00 173.24 173.78 2c7c s GLU 76 N -3.87 1.07 -0.19 5.44 0.41 -0.16 -4.96 118.70 116.44 2c7c s GLU 76 Ca 0.35 -0.61 -0.00 0.00 -0.41 0.00 0.00 54.97 54.29 2c7c s GLU 76 Cb -0.07 0.35 0.05 0.00 -1.78 0.00 0.00 34.13 32.68 2c7c s GLU 76 CO 0.25 -0.49 -0.04 0.21 -0.49 0.00 0.00 175.26 174.69 2c7c s LYS 77 N -2.94 1.40 -0.05 1.61 2.47 -1.26 -0.48 119.74 120.50 2c7c s LYS 77 Ca 0.14 -0.64 0.06 0.00 -1.56 0.00 0.00 55.97 53.97 2c7c s LYS 77 Cb -0.00 -2.19 -0.02 0.00 -1.46 0.00 0.00 37.83 34.16 2c7c s LYS 77 CO 0.02 -0.50 -0.23 0.42 0.16 0.00 0.00 175.35 175.21 2c7c s ILE 78 N 1.59 2.26 -0.65 5.43 1.09 -1.21 -4.81 121.20 124.89 2c7c s ILE 78 Ca -0.01 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.53 2c7c s ILE 78 Cb -0.16 -1.82 0.00 0.00 -1.06 0.00 0.00 42.46 39.41 2c7c s ILE 78 CO -0.07 0.57 0.00 0.47 -0.10 0.00 0.00 174.94 175.81 2c7c n ASP 79 N 2.72 -4.60 0.00 3.58 8.00 -1.26 -0.30 116.55 124.70 2c7c n ASP 79 Ca -0.17 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2c7c n ASP 79 Cb 0.52 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 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 -0.43 -1.96 -4.81 -2.24 2.85 -1.26 -5.06 115.26 102.35 2c7c n ASN 80 Ca -0.06 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.09 2c7c n ASN 80 Cb 0.45 -0.67 0.02 0.00 1.24 0.00 0.00 39.78 40.82 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 -0.22 3.20 -0.30 1.20 8.01 0.59 -5.05 118.70 126.13 2c7c s GLU 81 Ca 0.00 1.10 -0.27 0.00 0.01 0.00 0.00 54.97 55.80 2c7c s GLU 81 Cb 0.00 -2.02 0.01 0.00 -4.31 0.00 0.00 34.13 27.81 2c7c s GLU 81 CO 0.00 -0.90 0.99 -1.21 0.01 0.00 0.00 175.26 174.15 2c7c s GLU 82 N -4.45 4.08 -0.09 1.61 0.41 -1.26 -3.32 118.70 115.68 2c7c s GLU 82 Ca 0.61 1.00 0.03 0.00 -0.41 0.00 0.00 54.97 56.20 2c7c s GLU 82 Cb -0.15 -3.71 -0.01 0.00 -1.78 0.00 0.00 34.13 28.48 2c7c s GLU 82 CO 0.44 -0.78 -0.21 0.14 -0.49 0.00 0.00 175.26 174.36 2c7c s VAL 83 N 3.36 2.38 0.03 2.63 -7.23 0.37 -4.45 120.40 117.49 2c7c s VAL 83 Ca 0.41 -0.92 0.08 0.00 -1.81 0.00 0.00 61.98 59.74 2c7c s VAL 83 Cb -0.13 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2c7c s VAL 83 CO 0.13 0.56 -0.23 -0.76 -0.31 0.00 0.00 175.10 174.48 2c7c s LEU 84 N 0.14 2.34 -0.06 1.32 1.02 0.13 -0.99 118.68 122.58 2c7c s LEU 84 Ca -0.11 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.60 2c7c s LEU 84 Cb -0.16 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 2c7c s LEU 84 CO 0.06 0.27 -0.21 -0.63 0.02 0.00 0.00 176.35 175.87 2c7c s ILE 85 N -0.82 2.47 0.32 -0.59 1.01 -0.23 -0.55 121.20 122.81 2c7c s ILE 85 Ca 0.12 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 2c7c s ILE 85 Cb -0.10 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2c7c s ILE 85 CO 0.03 0.57 0.69 0.00 0.00 0.00 0.00 174.94 176.22 2c7c s MET 86 N -0.29 1.95 0.52 2.79 0.23 -0.61 -0.91 119.30 122.97 2c7c s MET 86 Ca 0.01 -1.29 -0.05 0.00 -1.03 0.00 0.00 55.69 53.33 2c7c s MET 86 Cb -0.13 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 2c7c s MET 86 CO 0.03 -0.88 0.81 -1.12 -2.03 0.00 0.00 175.02 171.82 2c7c s SER 87 N -3.03 5.93 0.61 -1.18 0.01 -1.26 0.03 113.70 114.81 2c7c s SER 87 Ca 0.17 0.74 0.37 0.00 1.31 0.00 0.00 55.95 58.54 2c7c s SER 87 Cb -0.04 -1.92 1.99 0.00 0.21 0.00 0.00 66.02 66.25 2c7c s SER 87 CO 0.11 -0.79 2.24 -0.08 0.41 0.00 0.00 173.24 175.13 2c7c h GLU 88 N 0.10 0.00 -0.02 12.44 4.81 -1.88 -1.76 114.58 128.27 2c7c h GLU 88 Ca -0.46 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2c7c h GLU 88 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2c7c h GLU 88 CO 0.61 0.02 -0.48 0.77 -0.73 0.00 0.00 179.01 179.20 2c7c h SER 89 N 0.00 0.05 0.88 1.04 0.02 -1.93 -3.11 113.55 110.50 2c7c h SER 89 Ca -0.00 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 2c7c h SER 89 Cb 0.13 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2c7c h SER 89 CO 0.00 0.53 -0.71 0.44 -1.14 0.00 0.00 176.83 175.95 2c7c h ASP 90 N 0.04 0.00 -3.48 3.07 3.32 -1.70 -3.44 116.42 114.23 2c7c h ASP 90 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2c7c h ASP 90 Cb 0.87 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.45 2c7c h ASP 90 CO 0.07 0.71 0.62 -0.63 -1.72 0.00 0.00 179.24 178.29 2c7c s ILE 91 N -3.22 3.24 -0.22 0.35 1.01 -1.11 -0.89 121.20 120.36 2c7c s ILE 91 Ca 0.00 1.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.68 2c7c s ILE 91 Cb 0.11 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.78 2c7c s ILE 91 CO 0.77 0.18 -0.23 0.18 0.00 0.00 0.00 174.94 175.84 2c7c n LEU 92 N 2.33 2.51 -3.74 2.97 4.77 0.58 -4.90 117.00 121.51 2c7c n LEU 92 Ca 0.05 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2c7c n LEU 92 Cb 0.43 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2c7c n LEU 92 CO 0.57 0.73 0.82 0.00 -1.33 0.00 0.00 177.39 178.19 2c7c s ALA 93 N -2.43 -1.81 -0.61 -1.18 0.00 -0.96 -5.04 121.76 109.73 2c7c s ALA 93 Ca -0.30 0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2c7c s ALA 93 Cb 0.09 0.59 0.16 0.00 0.00 0.00 0.00 23.12 23.95 2c7c s ALA 93 CO 0.47 -1.05 0.40 0.42 0.00 0.00 0.00 175.76 176.00 2c7c s ILE 94 N -2.93 2.47 0.00 0.00 1.01 -1.26 -0.55 121.20 119.93 2c7c s ILE 94 Ca 0.14 -3.76 0.00 0.00 0.00 0.00 0.00 60.65 57.03 2c7c s ILE 94 Cb 0.00 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2c7c s ILE 94 CO 0.01 -0.97 0.00 0.52 0.00 0.00 0.00 174.94 174.50