#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1svt s ASN 2 N 0.00 7.62 1.02 7.83 4.22 -1.26 -4.78 114.94 129.59 1svt s ASN 2 Ca 0.00 1.92 -0.14 0.00 -2.14 0.00 0.00 52.86 52.49 1svt s ASN 2 Cb 0.00 -2.60 0.20 0.00 1.28 0.00 0.00 41.25 40.13 1svt s ASN 2 CO 0.00 0.15 1.13 0.27 -2.04 0.00 0.00 177.10 176.61 1svt s ILE 3 N -1.11 1.91 -0.33 0.54 -5.25 -1.26 -5.09 121.20 110.61 1svt s ILE 3 Ca 0.41 0.00 0.02 0.00 -0.99 0.00 0.00 60.65 60.09 1svt s ILE 3 Cb -0.26 -2.63 0.15 0.00 2.95 0.00 0.00 42.46 42.68 1svt s ILE 3 CO 0.31 0.00 0.39 -0.60 -1.79 0.00 0.00 174.94 173.25 1svt s ARG 4 N -5.26 0.52 0.49 0.37 6.06 -1.26 -5.01 118.95 114.85 1svt s ARG 4 Ca 0.67 -0.37 -0.22 0.00 -2.50 0.00 0.00 55.73 53.31 1svt s ARG 4 Cb -0.14 -0.53 -0.07 0.00 0.06 0.00 0.00 34.95 34.28 1svt s ARG 4 CO 0.55 -1.11 1.18 -1.25 -2.50 0.00 0.00 175.30 172.17 1svt s PRO 5 N 2.00 3.59 -0.93 5.12 0.04 -1.26 -4.95 135.00 138.61 1svt s PRO 5 Ca 0.13 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1svt s PRO 5 Cb -0.13 -2.31 0.24 0.00 0.04 0.00 0.00 34.50 32.34 1svt s PRO 5 CO -0.18 -0.70 0.88 -1.17 0.04 0.00 0.00 177.00 175.87 1svt s LEU 6 N -3.24 6.45 0.00 -3.56 1.98 -1.26 -4.10 118.68 114.94 1svt s LEU 6 Ca 0.66 -3.12 0.00 0.00 -2.89 0.00 0.00 54.13 48.79 1svt s LEU 6 Cb -0.29 -2.17 0.00 0.00 0.66 0.00 0.00 46.19 44.39 1svt s LEU 6 CO 0.35 -0.43 0.00 0.00 -1.89 0.00 0.00 176.35 174.38 1svt n HIS 7 N 3.35 0.00 0.00 5.38 1.44 -1.26 -4.15 115.22 119.98 1svt n HIS 7 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1svt n HIS 7 Cb 0.43 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 30.15 1svt n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1svt n ASP 8 N 0.54 0.00 -4.83 4.39 2.03 -1.15 -4.78 116.55 112.75 1svt n ASP 8 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 1svt n ASP 8 Cb 0.00 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1svt n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1svt s ARG 9 N 0.00 4.07 -0.01 -0.67 1.81 -1.26 -2.07 118.95 120.82 1svt s ARG 9 Ca 0.00 0.59 0.07 0.00 -1.72 0.00 0.00 55.73 54.68 1svt s ARG 9 Cb 0.00 -3.09 -0.02 0.00 -0.45 0.00 0.00 34.95 31.39 1svt s ARG 9 CO 0.00 0.57 -0.23 0.08 -0.68 0.00 0.00 175.30 175.03 1svt s VAL 10 N -1.28 1.85 -0.27 3.52 1.01 0.12 -2.44 120.40 122.91 1svt s VAL 10 Ca 0.33 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1svt s VAL 10 Cb -0.17 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1svt s VAL 10 CO 0.19 0.48 0.06 -0.63 0.00 0.00 0.00 175.10 175.19 1svt s ILE 11 N -0.59 4.00 0.13 2.22 1.01 -0.76 -2.62 121.20 124.59 1svt s ILE 11 Ca 0.09 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.33 1svt s ILE 11 Cb -0.09 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1svt s ILE 11 CO -0.00 0.22 -0.18 0.68 0.00 0.00 0.00 174.94 175.65 1svt s VAL 12 N 1.54 1.64 -0.17 2.92 -7.23 -0.81 -0.28 120.40 118.01 1svt s VAL 12 Ca 0.04 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1svt s VAL 12 Cb -0.16 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1svt s VAL 12 CO 0.02 -0.24 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.89 1svt s LYS 13 N -2.41 3.40 0.94 4.82 -2.85 -0.04 -0.73 119.74 122.87 1svt s LYS 13 Ca 0.10 -0.64 -0.12 0.00 -1.00 0.00 0.00 55.97 54.31 1svt s LYS 13 Cb -0.07 -2.83 0.06 0.00 -2.06 0.00 0.00 37.83 32.94 1svt s LYS 13 CO 0.05 0.02 0.60 -2.13 0.10 0.00 0.00 175.35 173.99 1svt n ARG 14 N 4.12 -0.33 0.00 1.78 0.63 -1.26 -1.66 116.66 119.94 1svt n ARG 14 Ca -0.18 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 1svt n ARG 14 Cb 0.52 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1svt n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1svt n LYS 15 N -2.34 0.81 -3.44 -0.14 5.02 -0.89 -4.78 118.16 112.40 1svt n LYS 15 Ca 0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1svt n LYS 15 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.48 1svt n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1svt s GLU 16 N 3.65 4.29 -0.87 1.97 0.41 -1.26 -4.97 118.70 121.92 1svt s GLU 16 Ca 0.00 0.25 -0.26 0.00 -0.41 0.00 0.00 54.97 54.55 1svt s GLU 16 Cb 0.00 -3.43 -0.14 0.00 -1.78 0.00 0.00 34.13 28.78 1svt s GLU 16 CO 0.00 0.20 2.28 0.08 -0.49 0.00 0.00 175.26 177.34 1svt s VAL 17 N 0.54 3.09 -0.72 2.63 1.01 -1.26 -3.60 120.40 122.08 1svt s VAL 17 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1svt s VAL 17 Cb -0.14 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1svt s VAL 17 CO 0.07 -0.17 0.64 -0.62 0.00 0.00 0.00 175.10 175.02 1svt n GLU 18 N 8.69 -1.59 -1.30 2.72 1.02 -1.26 -4.69 120.64 124.22 1svt n GLU 18 Ca 0.45 1.21 -0.57 0.00 -0.02 0.00 0.00 57.16 58.23 1svt n GLU 18 Cb 0.44 -3.72 -0.11 0.00 -0.02 0.00 0.00 31.44 28.03 1svt n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1svt n THR 19 N -1.83 0.05 -1.53 2.62 -1.04 -1.24 -4.55 114.28 106.76 1svt n THR 19 Ca -0.15 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 1svt n THR 19 Cb 0.61 -0.79 -0.10 0.00 -1.82 0.00 0.00 70.33 68.23 1svt n THR 19 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1svt n LYS 20 N 7.70 0.35 0.00 -2.82 4.01 -1.26 -3.73 118.16 122.40 1svt n LYS 20 Ca 0.52 -0.91 0.00 0.00 -0.51 0.00 0.00 58.31 57.40 1svt n LYS 20 Cb 0.03 -3.30 0.00 0.00 -0.51 0.00 0.00 35.03 31.25 1svt n LYS 20 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1svt n SER 21 N 16.78 0.00 -4.59 4.39 3.41 -1.25 -4.70 113.62 127.65 1svt n SER 21 Ca 0.46 -0.06 -0.59 0.00 -0.26 0.00 0.00 58.87 58.42 1svt n SER 21 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1svt n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1svt n ALA 22 N 0.00 -2.22 0.00 7.33 0.00 -1.24 -0.69 120.51 123.69 1svt n ALA 22 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1svt n ALA 22 Cb 0.02 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1svt n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1svt n GLY 23 N 2.46 3.01 0.00 0.00 0.00 -1.26 -4.60 105.19 104.80 1svt n GLY 23 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1svt n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1svt n GLY 24 N 0.00 -1.08 0.16 -0.02 0.00 0.13 -4.93 105.19 99.45 1svt n GLY 24 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.46 1svt n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1svt h ILE 25 N 0.00 0.66 -3.14 -0.61 2.04 -1.89 -3.46 117.51 111.11 1svt h ILE 25 Ca 0.00 -1.92 -0.56 0.00 1.00 0.00 0.00 64.86 63.38 1svt h ILE 25 Cb 0.00 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1svt h ILE 25 CO 0.00 0.37 0.67 -0.69 0.00 0.00 0.00 178.15 178.51 1svt s VAL 26 N -3.03 4.48 -0.87 1.67 1.01 -1.26 -4.97 120.40 117.44 1svt s VAL 26 Ca 0.05 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 1svt s VAL 26 Cb 0.07 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1svt s VAL 26 CO 0.73 -0.02 1.23 -0.22 0.00 0.00 0.00 175.10 176.81 1svt s LEU 27 N 2.31 4.04 -0.29 3.92 0.20 -1.26 -3.60 118.68 124.00 1svt s LEU 27 Ca 0.52 -1.33 -0.28 0.00 0.69 0.00 0.00 54.13 53.73 1svt s LEU 27 Cb -0.21 -2.49 -0.04 0.00 -0.43 0.00 0.00 46.19 43.01 1svt s LEU 27 CO 0.19 -1.44 2.15 0.28 -0.29 0.00 0.00 176.35 177.24 1svt s THR 28 N 4.31 3.11 0.62 3.68 -1.32 -1.26 -4.90 115.64 119.88 1svt s THR 28 Ca 0.35 0.11 -0.19 0.00 -1.21 0.00 0.00 61.69 60.76 1svt s THR 28 Cb -0.06 -3.17 -0.02 0.00 -1.51 0.00 0.00 72.50 67.74 1svt s THR 28 CO -0.01 -0.12 1.28 -0.83 -2.21 0.00 0.00 174.62 172.73 1svt s GLY 29 N 8.36 2.83 -0.57 6.08 0.00 -1.26 -4.77 107.32 117.99 1svt s GLY 29 Ca 0.95 1.17 -0.30 0.00 0.00 0.00 0.00 44.72 46.54 1svt s GLY 29 CO 0.33 1.60 2.41 -1.26 0.00 0.00 0.00 173.10 176.18 1svt n SER 30 N -1.71 1.76 -2.20 1.64 2.88 -1.26 -4.82 113.62 109.92 1svt n SER 30 Ca 0.15 -0.02 -0.24 0.00 -1.33 0.00 0.00 58.87 57.43 1svt n SER 30 Cb 0.48 -1.31 0.17 0.00 -0.75 0.00 0.00 64.21 62.80 1svt n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1svt n ALA 31 N 12.50 5.56 -2.83 -1.46 0.00 -1.26 -4.93 120.51 128.09 1svt n ALA 31 Ca 0.46 -2.85 -0.07 0.00 0.00 0.00 0.00 53.44 50.98 1svt n ALA 31 Cb 0.31 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.32 1svt n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1svt n ALA 32 N -1.11 -3.10 -3.57 0.00 0.00 -1.26 -5.10 120.51 106.37 1svt n ALA 32 Ca 0.59 1.07 -0.07 0.00 0.00 0.00 0.00 53.44 55.03 1svt n ALA 32 Cb 1.63 -3.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 1svt n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1svt s ALA 33 N -2.44 -1.80 0.45 0.00 0.00 -1.26 -5.20 121.76 111.51 1svt s ALA 33 Ca 0.21 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1svt s ALA 33 Cb -0.06 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 1svt s ALA 33 CO 0.77 -0.78 0.04 1.17 0.00 0.00 0.00 175.76 176.96 1svt n LYS 34 N -0.30 0.78 -3.81 0.00 3.00 -1.26 -4.73 118.16 111.85 1svt n LYS 34 Ca -0.08 -3.42 -0.37 0.00 -0.00 0.00 0.00 58.31 54.45 1svt n LYS 34 Cb 0.61 1.15 -0.06 0.00 0.00 0.00 0.00 35.03 36.73 1svt n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1svt s SER 35 N -3.55 6.40 -0.00 3.14 0.15 -1.26 -4.61 113.70 113.97 1svt s SER 35 Ca 0.05 0.48 0.21 0.00 0.70 0.00 0.00 55.95 57.40 1svt s SER 35 Cb 0.00 -2.09 -0.22 0.00 -1.71 0.00 0.00 66.02 62.00 1svt s SER 35 CO 0.04 0.36 0.85 0.35 1.20 0.00 0.00 173.24 176.03 1svt n THR 36 N 2.25 0.01 -2.89 6.45 -2.24 -1.26 -4.88 114.28 111.71 1svt n THR 36 Ca -0.19 -0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 1svt n THR 36 Cb 0.54 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 1svt n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1svt s ARG 37 N -3.09 3.75 -0.04 -0.78 3.00 -1.26 -2.51 118.95 118.01 1svt s ARG 37 Ca 0.05 0.41 -0.30 0.00 0.00 0.00 0.00 55.73 55.89 1svt s ARG 37 Cb 0.16 -2.42 0.11 0.00 0.00 0.00 0.00 34.95 32.80 1svt s ARG 37 CO 0.87 -0.02 1.04 0.20 0.00 0.00 0.00 175.30 177.39 1svt s GLY 38 N -3.20 -0.37 -0.05 -3.53 0.00 -0.69 -2.10 107.32 97.38 1svt s GLY 38 Ca 0.50 1.03 0.02 0.00 0.00 0.00 0.00 44.72 46.27 1svt s GLY 38 CO 0.32 0.32 -0.09 1.85 0.00 0.00 0.00 173.10 175.50 1svt s GLU 39 N -2.85 2.64 0.37 2.90 2.12 -0.67 -0.18 118.70 123.03 1svt s GLU 39 Ca 0.08 -0.62 -0.25 0.00 0.36 0.00 0.00 54.97 54.54 1svt s GLU 39 Cb -0.00 -2.50 -0.09 0.00 0.26 0.00 0.00 34.13 31.79 1svt s GLU 39 CO -0.05 0.64 1.06 0.08 -0.54 0.00 0.00 175.26 176.44 1svt s VAL 40 N -0.80 3.69 0.00 3.70 1.01 -0.83 -0.86 120.40 126.30 1svt s VAL 40 Ca 0.13 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1svt s VAL 40 Cb -0.11 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1svt s VAL 40 CO 0.02 0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.39 1svt n LEU 41 N 0.23 1.86 -3.79 3.92 4.77 0.62 -3.17 117.00 121.44 1svt n LEU 41 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1svt n LEU 41 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1svt n LEU 41 CO 0.47 0.29 -0.02 0.00 -1.33 0.00 0.00 177.39 176.80 1svt s ALA 42 N -1.90 -0.54 -0.04 -1.18 0.00 -1.22 -4.80 121.76 112.07 1svt s ALA 42 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1svt s ALA 42 Cb 0.00 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1svt s ALA 42 CO 0.00 -0.43 0.10 0.08 0.00 0.00 0.00 175.76 175.51 1svt s VAL 43 N -2.85 -0.03 1.06 0.00 1.01 -1.26 -1.82 120.40 116.50 1svt s VAL 43 Ca -0.03 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1svt s VAL 43 Cb 0.00 -0.17 0.24 0.00 0.00 0.00 0.00 36.38 36.46 1svt s VAL 43 CO -0.05 0.05 1.28 -0.83 0.00 0.00 0.00 175.10 175.54 1svt s GLY 44 N 0.70 1.75 0.00 4.51 0.00 -1.02 -4.78 107.32 108.47 1svt s GLY 44 Ca -0.05 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1svt s GLY 44 CO -0.03 -0.37 0.86 0.70 0.00 0.00 0.00 173.10 174.26 1svt n ASN 45 N -4.14 0.00 0.00 1.64 3.02 -1.26 -4.58 115.26 109.94 1svt n ASN 45 Ca 0.16 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1svt n ASN 45 Cb 0.59 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1svt n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1svt n GLY 46 N -0.89 -1.21 3.74 7.41 0.00 -1.26 -3.48 105.19 109.50 1svt n GLY 46 Ca 0.00 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1svt n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1svt s ARG 47 N -1.29 4.63 0.01 1.61 3.52 -1.18 -2.92 118.95 123.33 1svt s ARG 47 Ca 0.00 1.68 -0.04 0.00 -0.13 0.00 0.00 55.73 57.24 1svt s ARG 47 Cb 0.00 -3.28 -0.28 0.00 -1.56 0.00 0.00 34.95 29.83 1svt s ARG 47 CO 0.00 0.14 0.89 0.82 -0.81 0.00 0.00 175.30 176.34 1svt h ILE 48 N 3.65 1.19 -1.06 4.11 2.04 -1.93 -3.26 117.51 122.25 1svt h ILE 48 Ca -0.44 -2.81 -0.41 0.00 1.00 0.00 0.00 64.86 62.20 1svt h ILE 48 Cb 1.21 2.80 0.10 0.00 -0.74 0.00 0.00 36.82 40.19 1svt h ILE 48 CO 0.71 0.83 -0.60 0.18 0.00 0.00 0.00 178.15 179.27 1svt n LEU 49 N -3.48 -1.80 0.00 1.44 4.77 -1.26 -3.08 117.00 113.59 1svt n LEU 49 Ca -0.16 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1svt n LEU 49 Cb 1.05 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1svt n LEU 49 CO 0.51 -2.68 0.00 1.21 -1.33 0.00 0.00 177.39 175.11 1svt n GLU 50 N 0.85 0.00 0.00 3.23 4.07 -1.26 -4.65 120.64 122.89 1svt n GLU 50 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1svt n GLU 50 Cb 0.25 -2.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.13 1svt n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1svt n ASN 51 N 0.00 0.00 0.00 4.31 5.15 -1.18 -4.89 115.26 118.65 1svt n ASN 51 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1svt n ASN 51 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1svt n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1svt n GLY 52 N 0.00 0.00 1.61 8.20 0.00 -1.26 -4.58 105.19 109.16 1svt n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1svt n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1svt n GLU 53 N 0.00 0.00 -3.38 1.61 4.71 -1.26 -4.57 120.64 117.75 1svt n GLU 53 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1svt n GLU 53 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 1svt n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1svt s VAL 54 N 0.00 -0.81 -0.07 2.62 1.01 -1.26 -4.72 120.40 117.17 1svt s VAL 54 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1svt s VAL 54 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1svt s VAL 54 CO 0.00 -0.03 0.84 -1.59 0.00 0.00 0.00 175.10 174.32 1svt s LYS 55 N 2.72 4.44 0.98 2.72 0.00 -1.23 -4.86 119.74 124.51 1svt s LYS 55 Ca 0.10 1.11 -0.11 0.00 0.00 0.00 0.00 55.97 57.07 1svt s LYS 55 Cb -0.14 -3.49 0.18 0.00 0.00 0.00 0.00 37.83 34.38 1svt s LYS 55 CO -0.18 -0.09 1.09 -1.25 0.00 0.00 0.00 175.35 174.92 1svt s PRO 56 N 1.28 0.56 0.43 1.78 0.04 -1.26 -3.12 135.00 134.71 1svt s PRO 56 Ca 0.43 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1svt s PRO 56 Cb -0.18 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1svt s PRO 56 CO 0.20 -2.78 0.67 -0.51 0.04 0.00 0.00 177.00 174.62 1svt s LEU 57 N -6.61 3.74 0.00 -3.56 1.43 -1.23 -4.90 118.68 107.55 1svt s LEU 57 Ca 0.66 0.53 0.18 0.00 -1.03 0.00 0.00 54.13 54.47 1svt s LEU 57 Cb -0.21 -3.42 0.55 0.00 0.03 0.00 0.00 46.19 43.14 1svt s LEU 57 CO 0.59 -0.56 1.43 0.47 0.23 0.00 0.00 176.35 178.52 1svt n ASP 58 N -2.06 2.19 -4.35 2.29 9.92 -1.26 -4.78 116.55 118.49 1svt n ASP 58 Ca -0.01 -1.87 -0.35 0.00 -0.53 0.00 0.00 54.79 52.03 1svt n ASP 58 Cb 0.56 -0.20 -0.14 0.00 -0.64 0.00 0.00 41.12 40.71 1svt n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1svt s VAL 59 N -1.60 3.66 0.20 2.53 -7.23 -1.26 -5.10 120.40 111.60 1svt s VAL 59 Ca 0.32 -0.40 -0.20 0.00 -1.81 0.00 0.00 61.98 59.89 1svt s VAL 59 Cb 0.17 -2.68 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 1svt s VAL 59 CO 0.24 0.40 0.72 -1.59 -0.31 0.00 0.00 175.10 174.56 1svt s LYS 60 N 1.52 4.28 -0.76 4.82 -2.85 -1.26 -4.95 119.74 120.55 1svt s LYS 60 Ca 0.06 0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 55.63 1svt s LYS 60 Cb -0.14 -2.95 -0.15 0.00 -2.06 0.00 0.00 37.83 32.53 1svt s LYS 60 CO -0.01 0.43 2.57 0.28 0.10 0.00 0.00 175.35 178.72 1svt n VAL 61 N 0.90 -0.04 0.00 1.79 0.31 -1.26 -2.78 118.33 117.25 1svt n VAL 61 Ca -0.03 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1svt n VAL 61 Cb 0.51 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1svt n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1svt n GLY 62 N 6.27 1.08 3.83 2.92 0.00 -1.19 -4.95 105.19 113.15 1svt n GLY 62 Ca 0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 1svt n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1svt s ASP 63 N -1.58 6.21 -0.42 1.61 1.01 -1.12 -4.73 116.67 117.65 1svt s ASP 63 Ca 0.00 1.63 -0.19 0.00 0.71 0.00 0.00 52.55 54.70 1svt s ASP 63 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.44 1svt s ASP 63 CO 0.00 -0.88 0.56 -0.63 0.21 0.00 0.00 175.17 174.43 1svt s ILE 64 N -2.67 4.94 0.05 0.77 1.01 -1.26 -1.97 121.20 122.07 1svt s ILE 64 Ca 0.60 -0.02 0.09 0.00 0.00 0.00 0.00 60.65 61.31 1svt s ILE 64 Cb -0.12 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1svt s ILE 64 CO 0.38 -0.49 -0.25 0.68 0.00 0.00 0.00 174.94 175.25 1svt s VAL 65 N 2.53 2.25 -0.18 2.92 -7.23 0.75 -0.30 120.40 121.14 1svt s VAL 65 Ca 0.18 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 1svt s VAL 65 Cb -0.15 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1svt s VAL 65 CO 0.16 0.36 0.32 -0.63 -0.31 0.00 0.00 175.10 175.00 1svt s ILE 66 N -0.83 5.28 0.28 -0.62 1.01 -0.96 -1.70 121.20 123.66 1svt s ILE 66 Ca 0.12 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.39 1svt s ILE 66 Cb -0.10 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1svt s ILE 66 CO 0.03 0.34 -0.01 0.72 0.00 0.00 0.00 174.94 176.02 1svt s PHE 67 N 0.80 1.84 -0.35 3.97 -0.12 -1.04 -0.99 117.98 122.08 1svt s PHE 67 Ca 0.17 -0.84 -0.14 0.00 -0.05 0.00 0.00 56.93 56.07 1svt s PHE 67 Cb -0.14 -1.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.13 1svt s PHE 67 CO 0.05 0.11 0.28 1.21 -0.05 0.00 0.00 175.22 176.82 1svt s ASN 68 N -3.42 6.10 -0.70 1.98 3.84 -0.60 -4.83 114.94 117.32 1svt s ASN 68 Ca 0.31 -0.44 -0.10 0.00 0.21 0.00 0.00 52.86 52.84 1svt s ASN 68 Cb 0.06 -2.16 -0.09 0.00 -0.55 0.00 0.00 41.25 38.52 1svt s ASN 68 CO 0.12 -0.29 1.87 -0.67 -2.79 0.00 0.00 177.10 175.34 1svt n ASP 69 N 5.19 3.39 -2.91 -4.21 -0.08 -1.26 -4.86 116.55 111.81 1svt n ASP 69 Ca -0.11 -2.37 0.00 0.00 -1.51 0.00 0.00 54.79 50.79 1svt n ASP 69 Cb 0.49 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1svt n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1svt n GLY 70 N 4.05 -0.84 0.14 0.27 0.00 -1.26 -4.97 105.19 102.59 1svt n GLY 70 Ca 0.39 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 1svt n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1svt h TYR 71 N -0.12 0.61 0.00 1.61 3.20 -2.04 -3.29 116.97 116.94 1svt h TYR 71 Ca 0.00 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1svt h TYR 71 Cb 0.00 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1svt h TYR 71 CO 0.00 1.12 0.00 0.41 -1.64 0.00 0.00 178.16 178.05 1svt n GLY 72 N 0.99 -0.32 3.62 1.82 0.00 -1.26 -4.62 105.19 105.42 1svt n GLY 72 Ca -0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1svt n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1svt s VAL 73 N -2.44 4.77 0.22 1.61 1.01 -1.24 -4.56 120.40 119.77 1svt s VAL 73 Ca 0.03 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1svt s VAL 73 Cb 0.02 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1svt s VAL 73 CO 0.04 -0.24 0.07 -0.54 0.00 0.00 0.00 175.10 174.43 1svt s LYS 74 N 3.00 2.58 -0.11 2.72 -0.14 -0.67 -4.94 119.74 122.18 1svt s LYS 74 Ca 0.34 -1.14 -0.01 0.00 -1.36 0.00 0.00 55.97 53.80 1svt s LYS 74 Cb -0.14 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 1svt s LYS 74 CO 0.12 0.42 -0.07 0.45 -0.76 0.00 0.00 175.35 175.51 1svt s SER 75 N -3.39 4.54 0.17 2.83 0.15 -1.26 -1.61 113.70 115.13 1svt s SER 75 Ca 0.30 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 1svt s SER 75 Cb -0.08 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 1svt s SER 75 CO 0.21 0.26 0.08 -1.61 1.20 0.00 0.00 173.24 173.38 1svt s GLU 76 N -0.21 1.06 -0.21 5.44 0.41 0.43 -5.00 118.70 120.62 1svt s GLU 76 Ca 0.03 -1.53 0.01 0.00 -0.41 0.00 0.00 54.97 53.06 1svt s GLU 76 Cb -0.13 0.16 0.05 0.00 -1.78 0.00 0.00 34.13 32.43 1svt s GLU 76 CO 0.03 -0.29 -0.08 0.21 -0.49 0.00 0.00 175.26 174.64 1svt s LYS 77 N -4.07 1.82 -0.14 1.61 2.47 -1.26 -1.91 119.74 118.26 1svt s LYS 77 Ca 0.30 -0.88 -0.01 0.00 -1.56 0.00 0.00 55.97 53.82 1svt s LYS 77 Cb 0.07 -2.45 0.03 0.00 -1.46 0.00 0.00 37.83 34.02 1svt s LYS 77 CO 0.06 -0.50 -0.06 0.42 0.16 0.00 0.00 175.35 175.43 1svt s ILE 78 N 1.41 1.05 -0.17 5.43 1.09 -1.05 -4.70 121.20 124.25 1svt s ILE 78 Ca -0.03 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 1svt s ILE 78 Cb -0.17 -1.15 0.00 0.00 -1.06 0.00 0.00 42.46 40.07 1svt s ILE 78 CO -0.07 0.24 0.00 0.47 -0.10 0.00 0.00 174.94 175.48 1svt n ASP 79 N 4.91 -4.96 -0.29 3.58 8.00 -1.26 -0.52 116.55 126.01 1svt n ASP 79 Ca -0.12 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1svt n ASP 79 Cb 0.49 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 1svt n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1svt n ASN 80 N -0.39 -1.31 -4.30 -2.24 2.85 -1.26 -5.12 115.26 103.49 1svt n ASN 80 Ca -0.02 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.14 1svt n ASN 80 Cb 0.43 -0.36 -0.16 0.00 1.24 0.00 0.00 39.78 40.93 1svt n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1svt s GLU 81 N -3.55 2.14 -0.58 1.20 8.01 0.32 -5.10 118.70 121.15 1svt s GLU 81 Ca 0.00 -0.92 -0.28 0.00 0.01 0.00 0.00 54.97 53.78 1svt s GLU 81 Cb 0.00 -2.04 0.02 0.00 -4.31 0.00 0.00 34.13 27.80 1svt s GLU 81 CO 0.00 0.54 1.31 -1.21 0.01 0.00 0.00 175.26 175.91 1svt s GLU 82 N -0.56 3.39 0.22 1.61 0.41 -1.26 -2.53 118.70 119.97 1svt s GLU 82 Ca 0.09 0.34 0.08 0.00 -0.41 0.00 0.00 54.97 55.07 1svt s GLU 82 Cb -0.10 -4.08 -0.05 0.00 -1.78 0.00 0.00 34.13 28.12 1svt s GLU 82 CO -0.01 -1.83 -0.15 0.14 -0.49 0.00 0.00 175.26 172.93 1svt s VAL 83 N 5.55 1.86 0.07 2.63 -7.23 -0.80 -4.31 120.40 118.16 1svt s VAL 83 Ca 0.48 -2.24 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1svt s VAL 83 Cb -0.09 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 1svt s VAL 83 CO 0.25 -0.54 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.59 1svt s LEU 84 N -3.36 2.26 -0.12 1.32 1.02 0.09 -0.43 118.68 119.46 1svt s LEU 84 Ca 0.24 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.78 1svt s LEU 84 Cb -0.01 -0.55 0.04 0.00 0.02 0.00 0.00 46.19 45.69 1svt s LEU 84 CO 0.09 -0.05 0.01 -0.63 0.02 0.00 0.00 176.35 175.78 1svt s ILE 85 N -1.20 0.48 0.22 -0.59 1.01 -0.63 -1.92 121.20 118.57 1svt s ILE 85 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1svt s ILE 85 Cb -0.10 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1svt s ILE 85 CO 0.02 0.08 0.18 0.00 0.00 0.00 0.00 174.94 175.23 1svt s MET 86 N 1.91 1.31 0.58 2.79 0.23 -1.08 -1.68 119.30 123.37 1svt s MET 86 Ca 0.03 -1.65 -0.03 0.00 -1.03 0.00 0.00 55.69 53.01 1svt s MET 86 Cb -0.14 0.30 0.03 0.00 -1.53 0.00 0.00 34.83 33.48 1svt s MET 86 CO -0.07 -0.45 0.85 -1.54 -2.03 0.00 0.00 175.02 171.78 1svt s SER 87 N -3.18 5.35 0.37 -1.18 1.04 -1.26 0.13 113.70 114.97 1svt s SER 87 Ca 0.38 0.35 0.09 0.00 0.48 0.00 0.00 55.95 57.24 1svt s SER 87 Cb 0.06 -1.27 0.82 0.00 0.10 0.00 0.00 66.02 65.73 1svt s SER 87 CO 0.14 -1.15 1.91 -0.08 0.98 0.00 0.00 173.24 175.04 1svt h GLU 88 N -0.09 0.66 -0.89 4.02 4.81 -1.78 -1.30 114.58 120.01 1svt h GLU 88 Ca -0.44 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 58.96 1svt h GLU 88 Cb 1.28 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 1svt h GLU 88 CO 0.57 0.43 0.60 0.77 -0.73 0.00 0.00 179.01 180.66 1svt h SER 89 N 0.68 0.29 1.24 1.04 0.02 -1.93 0.34 113.55 115.22 1svt h SER 89 Ca 0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1svt h SER 89 Cb 0.58 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1svt h SER 89 CO -0.16 0.11 -0.06 0.47 -1.14 0.00 0.00 176.83 176.05 1svt n ASP 90 N -4.45 0.53 -4.76 3.07 8.00 -0.49 -4.81 116.55 113.65 1svt n ASP 90 Ca 0.19 0.49 -0.38 0.00 0.71 0.00 0.00 54.79 55.79 1svt n ASP 90 Cb 0.76 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 1svt n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1svt s ILE 91 N -3.07 5.04 -0.16 0.53 1.01 0.12 -1.56 121.20 123.11 1svt s ILE 91 Ca 0.11 1.07 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1svt s ILE 91 Cb 0.15 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 1svt s ILE 91 CO 0.59 0.41 -0.10 0.18 0.00 0.00 0.00 174.94 176.02 1svt n LEU 92 N 2.95 2.15 -3.83 2.97 4.77 -0.17 -4.98 117.00 120.86 1svt n LEU 92 Ca -0.08 -0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.76 1svt n LEU 92 Cb 0.51 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1svt n LEU 92 CO 0.42 0.66 0.58 0.00 -1.33 0.00 0.00 177.39 177.73 1svt s ALA 93 N -2.34 -1.01 0.11 -1.18 0.00 -1.08 -5.01 121.76 111.25 1svt s ALA 93 Ca -0.18 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 51.30 1svt s ALA 93 Cb 0.05 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1svt s ALA 93 CO 0.44 -1.01 -0.25 0.42 0.00 0.00 0.00 175.76 175.36 1svt s ILE 94 N -2.55 2.03 -0.80 0.00 1.01 -1.26 -2.26 121.20 117.38 1svt s ILE 94 Ca 0.16 -1.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.06 1svt s ILE 94 Cb -0.05 -1.80 0.21 0.00 0.01 0.00 0.00 42.46 40.83 1svt s ILE 94 CO 0.09 0.08 0.73 -0.69 0.00 0.00 0.00 174.94 175.15 1svt s VAL 95 N -1.05 5.44 0.44 2.92 1.01 0.59 -4.94 120.40 124.80 1svt s VAL 95 Ca 0.11 -2.46 0.04 0.00 0.00 0.00 0.00 61.98 59.66 1svt s VAL 95 Cb -0.10 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.91 1svt s VAL 95 CO 0.05 -1.01 0.62 -1.61 0.00 0.00 0.00 175.10 173.15 1svt s GLU 96 N 0.22 2.91 0.00 2.72 2.02 -1.26 -4.58 118.70 120.73 1svt s GLU 96 Ca 0.17 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1svt s GLU 96 Cb -0.12 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1svt s GLU 96 CO -0.08 -0.28 0.00 0.00 0.02 0.00 0.00 175.26 174.92