#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsp s ARG 2 N 0.00 3.45 -1.09 2.12 1.81 -1.26 -4.87 118.95 119.12 1vsp s ARG 2 Ca 0.00 1.92 -0.25 0.00 -1.72 0.00 0.00 55.73 55.68 1vsp s ARG 2 Cb 0.00 -4.24 -0.17 0.00 -0.45 0.00 0.00 34.95 30.09 1vsp s ARG 2 CO 0.00 -1.73 2.08 0.14 -0.68 0.00 0.00 175.30 175.11 1vsp s VAL 3 N 6.84 3.20 -0.29 3.52 -7.23 -1.26 -4.78 120.40 120.39 1vsp s VAL 3 Ca 0.89 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.77 1vsp s VAL 3 Cb -0.31 -4.10 0.19 0.00 0.56 0.00 0.00 36.38 32.72 1vsp s VAL 3 CO 0.35 -0.37 0.58 -0.75 -0.31 0.00 0.00 175.10 174.60 1vsp s LYS 4 N 7.85 0.55 0.00 4.82 2.20 -1.26 -5.14 119.74 128.76 1vsp s LYS 4 Ca 0.78 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1vsp s LYS 4 Cb -0.04 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1vsp s LYS 4 CO 0.15 -0.87 0.00 -1.33 -0.36 0.00 0.00 175.35 172.94 1vsp n MET 5 N 5.42 0.00 -1.49 4.03 2.81 -1.26 -5.16 117.12 121.47 1vsp n MET 5 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1vsp n MET 5 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1vsp n MET 5 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1vsp n HIS 6 N 0.00 0.00 0.00 2.03 -0.00 -1.26 -5.17 115.22 110.82 1vsp n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1vsp n HIS 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1vsp n HIS 6 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1vsp n VAL 7 N 0.00 0.00 -0.04 1.59 0.24 -1.26 -5.10 118.33 113.75 1vsp n VAL 7 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsp n VAL 7 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vsp n VAL 7 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1vsp n LYS 8 N 0.00 0.00 0.00 7.34 2.85 -1.26 -5.03 118.16 122.06 1vsp n LYS 8 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vsp n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vsp n LYS 8 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1vsp n LYS 9 N 0.00 0.00 0.00 -1.58 2.85 -1.26 -4.72 118.16 113.45 1vsp n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vsp n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vsp n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vsp n GLY 10 N 3.76 0.46 0.18 2.58 0.00 -1.26 -3.23 105.19 107.68 1vsp n GLY 10 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1vsp n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vsp n ASP 11 N 1.32 0.00 -1.40 1.61 2.03 -1.26 -5.05 116.55 113.80 1vsp n ASP 11 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1vsp n ASP 11 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1vsp n ASP 11 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1vsp n THR 12 N -1.17 -0.73 -3.63 5.18 -1.04 -1.20 -2.82 114.28 108.86 1vsp n THR 12 Ca 0.00 0.82 -0.11 0.00 -2.04 0.00 0.00 64.05 62.72 1vsp n THR 12 Cb 0.00 -1.28 -0.07 0.00 -1.82 0.00 0.00 70.33 67.16 1vsp n THR 12 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1vsp s VAL 13 N -4.19 0.00 1.05 12.58 1.01 -1.13 -3.90 120.40 125.81 1vsp s VAL 13 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1vsp s VAL 13 Cb 0.00 -1.00 0.24 0.00 0.00 0.00 0.00 36.38 35.62 1vsp s VAL 13 CO 0.00 0.00 1.28 -1.48 0.00 0.00 0.00 175.10 174.90 1vsp s LEU 14 N 0.55 2.17 0.00 3.92 0.05 -1.24 -2.72 118.68 121.41 1vsp s LEU 14 Ca -0.01 0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.45 1vsp s LEU 14 Cb -0.05 -2.17 0.00 0.00 -2.05 0.00 0.00 46.19 41.92 1vsp s LEU 14 CO -0.05 -3.24 0.00 0.55 -0.55 0.00 0.00 176.35 173.06 1vsp n VAL 15 N -4.11 0.00 0.00 1.48 3.14 -1.26 -4.67 118.33 112.91 1vsp n VAL 15 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1vsp n VAL 15 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 1vsp n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vsp n ALA 16 N -3.00 0.00 0.43 1.55 0.00 -1.26 -4.07 120.51 114.16 1vsp n ALA 16 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1vsp n ALA 16 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 1vsp n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vsp n SER 17 N 0.00 2.44 0.00 0.00 2.88 -1.26 -4.34 113.62 113.34 1vsp n SER 17 Ca 0.00 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.26 1vsp n SER 17 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1vsp n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vsp n GLY 18 N 0.19 0.05 0.00 0.46 0.00 -1.26 -5.11 105.19 99.51 1vsp n GLY 18 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1vsp n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsp n LYS 19 N -0.45 0.00 0.00 1.61 3.00 -1.26 -5.17 118.16 115.90 1vsp n LYS 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsp n LYS 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1vsp n LYS 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1vsp n TYR 20 N 0.00 0.00 -1.44 5.64 9.36 -1.26 -4.98 117.16 124.49 1vsp n TYR 20 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1vsp n TYR 20 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1vsp n TYR 20 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1vsp n LYS 21 N -1.84 0.00 0.00 2.98 5.02 -1.26 -4.94 118.16 118.12 1vsp n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vsp n LYS 21 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vsp n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vsp n GLY 22 N 0.00 1.49 3.50 0.72 0.00 -1.26 -4.67 105.19 104.97 1vsp n GLY 22 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1vsp n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsp s ARG 23 N -1.94 1.19 -0.79 1.61 3.52 -1.26 -4.91 118.95 116.37 1vsp s ARG 23 Ca 0.00 -0.48 -0.25 0.00 -0.13 0.00 0.00 55.73 54.87 1vsp s ARG 23 Cb 0.00 0.52 -0.01 0.00 -1.56 0.00 0.00 34.95 33.91 1vsp s ARG 23 CO 0.00 -0.53 1.71 0.54 -0.81 0.00 0.00 175.30 176.21 1vsp s VAL 24 N -3.57 3.55 0.34 7.11 0.11 -1.25 -3.33 120.40 123.36 1vsp s VAL 24 Ca 0.03 -0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 1vsp s VAL 24 Cb -0.01 -4.34 -0.11 0.00 -1.53 0.00 0.00 36.38 30.38 1vsp s VAL 24 CO -0.09 -1.28 -0.02 0.61 -3.33 0.00 0.00 175.10 170.99 1vsp n GLY 25 N 6.19 -2.21 0.21 6.54 0.00 -1.13 -4.96 105.19 109.83 1vsp n GLY 25 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1vsp n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsp n LYS 26 N 1.05 0.00 -3.35 1.61 4.81 -1.26 -4.64 118.16 116.38 1vsp n LYS 26 Ca 0.07 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.25 1vsp n LYS 26 Cb 0.32 -0.39 -0.09 0.00 0.02 0.00 0.00 35.03 34.90 1vsp n LYS 26 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1vsp n VAL 27 N -2.47 -0.58 -2.79 3.15 0.24 -1.23 -4.77 118.33 109.87 1vsp n VAL 27 Ca 0.00 -3.87 -0.43 0.00 -2.04 0.00 0.00 64.34 58.00 1vsp n VAL 27 Cb 0.00 -1.84 -0.04 0.00 -1.47 0.00 0.00 33.84 30.49 1vsp n VAL 27 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1vsp s LYS 28 N -0.70 3.75 0.00 7.34 0.00 -1.26 -3.93 119.74 124.94 1vsp s LYS 28 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 55.97 56.77 1vsp s LYS 28 Cb 0.09 -3.84 0.00 0.00 0.00 0.00 0.00 37.83 34.08 1vsp s LYS 28 CO -0.15 -1.05 0.00 -0.85 0.00 0.00 0.00 175.35 173.30 1vsp n GLU 29 N 6.95 1.04 0.14 1.78 0.28 -1.19 -4.96 120.64 124.69 1vsp n GLU 29 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1vsp n GLU 29 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1vsp n GLU 29 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1vsp n VAL 30 N 0.00 0.00 0.00 3.84 0.31 -1.26 -4.94 118.33 116.28 1vsp n VAL 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vsp n VAL 30 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1vsp n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vsp n LEU 31 N -3.19 0.00 0.00 7.52 7.99 -1.26 0.40 117.00 128.46 1vsp n LEU 31 Ca 0.00 0.18 0.03 0.00 -0.01 0.00 0.00 56.01 56.21 1vsp n LEU 31 Cb 0.00 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 43.47 1vsp n LEU 31 CO 0.00 0.00 0.58 -0.81 -1.51 0.00 0.00 177.39 175.65 1vsp n PRO 32 N -0.48 0.96 0.00 3.23 -0.04 -1.26 -4.83 135.00 132.57 1vsp n PRO 32 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vsp n PRO 32 Cb 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1vsp n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vsp n LYS 33 N -0.59 0.00 -0.88 0.54 5.02 0.16 -4.94 118.16 117.48 1vsp n LYS 33 Ca 0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1vsp n LYS 33 Cb 0.02 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.12 1vsp n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vsp n LYS 34 N 0.00 -0.33 0.00 1.97 5.02 -1.25 -4.63 118.16 118.94 1vsp n LYS 34 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1vsp n LYS 34 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1vsp n LYS 34 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1vsp n TYR 35 N -3.30 0.00 -3.49 2.13 0.18 -1.14 -3.17 117.16 108.38 1vsp n TYR 35 Ca 0.02 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.63 1vsp n TYR 35 Cb 0.58 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.42 1vsp n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1vsp s ALA 36 N -2.00 -0.37 -1.12 -3.48 0.00 -1.25 -3.25 121.76 110.29 1vsp s ALA 36 Ca 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 1vsp s ALA 36 Cb 0.00 -1.34 0.28 0.00 0.00 0.00 0.00 23.12 22.06 1vsp s ALA 36 CO 0.00 -1.18 1.17 1.33 0.00 0.00 0.00 175.76 177.08 1vsp n VAL 37 N 5.33 4.68 0.00 0.00 0.24 -1.26 -3.55 118.33 123.77 1vsp n VAL 37 Ca -0.05 -5.46 0.00 0.00 -2.04 0.00 0.00 64.34 56.79 1vsp n VAL 37 Cb 0.50 -2.52 0.00 0.00 -1.47 0.00 0.00 33.84 30.35 1vsp n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsp n ILE 38 N 2.51 0.00 0.00 1.34 3.06 -1.26 -4.71 119.36 120.29 1vsp n ILE 38 Ca 0.24 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.49 1vsp n ILE 38 Cb 0.38 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.56 1vsp n ILE 38 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1vsp n VAL 39 N 0.00 0.00 -1.28 9.51 0.31 -1.26 -4.20 118.33 121.41 1vsp n VAL 39 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 1vsp n VAL 39 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1vsp n VAL 39 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1vsp n GLU 40 N 0.00 -2.58 -3.60 5.55 2.13 -1.26 -4.06 120.64 116.81 1vsp n GLU 40 Ca 0.00 1.97 -0.40 0.00 0.66 0.00 0.00 57.16 59.39 1vsp n GLU 40 Cb 0.00 -3.17 -0.09 0.00 0.27 0.00 0.00 31.44 28.45 1vsp n GLU 40 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1vsp s GLY 41 N -6.50 2.19 0.03 8.31 0.00 -1.26 -4.73 107.32 105.35 1vsp s GLY 41 Ca 0.00 -2.76 -0.06 0.00 0.00 0.00 0.00 44.72 41.90 1vsp s GLY 41 CO 0.00 1.11 0.12 0.14 0.00 0.00 0.00 173.10 174.47 1vsp s VAL 42 N 0.92 0.12 -0.30 1.40 1.01 -1.26 -5.04 120.40 117.26 1vsp s VAL 42 Ca 0.10 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1vsp s VAL 42 Cb -0.23 -0.79 0.19 0.00 0.00 0.00 0.00 36.38 35.55 1vsp s VAL 42 CO -0.03 -0.54 1.30 0.54 0.00 0.00 0.00 175.10 176.37 1vsp s ASN 43 N -1.97 -0.11 0.11 3.32 2.20 -1.24 -4.22 114.94 113.03 1vsp s ASN 43 Ca -0.07 0.19 -0.25 0.00 -0.94 0.00 0.00 52.86 51.79 1vsp s ASN 43 Cb -0.03 0.69 -0.07 0.00 -2.00 0.00 0.00 41.25 39.85 1vsp s ASN 43 CO -0.03 -0.03 0.77 0.27 -2.94 0.00 0.00 177.10 175.14 1vsp s ILE 44 N 0.65 4.53 -0.32 0.54 -4.36 -1.26 -4.84 121.20 116.13 1vsp s ILE 44 Ca -0.02 1.67 -0.00 0.00 -0.26 0.00 0.00 60.65 62.04 1vsp s ILE 44 Cb -0.03 -4.13 0.25 0.00 1.25 0.00 0.00 42.46 39.80 1vsp s ILE 44 CO -0.12 0.45 1.92 1.33 0.24 0.00 0.00 174.94 178.76 1vsp n VAL 45 N 2.12 2.71 -0.78 8.37 0.24 -1.26 -0.58 118.33 129.15 1vsp n VAL 45 Ca -0.04 -1.61 -0.14 0.00 -2.04 0.00 0.00 64.34 60.51 1vsp n VAL 45 Cb 0.49 -1.22 0.03 0.00 -1.47 0.00 0.00 33.84 31.68 1vsp n VAL 45 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vsp n LYS 46 N 0.15 -0.39 -1.96 7.34 5.02 -1.26 -4.42 118.16 122.64 1vsp n LYS 46 Ca 0.32 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 56.09 1vsp n LYS 46 Cb 0.68 -1.09 -0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1vsp n LYS 46 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1vsp s LYS 47 N -2.26 4.04 -0.66 1.97 1.02 -1.26 -3.69 119.74 118.90 1vsp s LYS 47 Ca 0.17 2.32 -0.25 0.00 0.02 0.00 0.00 55.97 58.23 1vsp s LYS 47 Cb 0.02 -2.86 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1vsp s LYS 47 CO 0.24 -0.49 1.09 0.00 -0.92 0.00 0.00 175.35 175.27 1vsp s ALA 48 N -1.19 2.99 0.00 5.17 0.00 -1.26 -4.35 121.76 123.12 1vsp s ALA 48 Ca 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1vsp s ALA 48 Cb -0.42 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1vsp s ALA 48 CO 0.55 -2.87 0.00 0.28 0.00 0.00 0.00 175.76 173.72 1vsp n VAL 49 N 6.20 0.00 -0.09 0.00 0.31 -1.19 -4.86 118.33 118.69 1vsp n VAL 49 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 1vsp n VAL 49 Cb 0.47 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.28 1vsp n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vsp n ARG 50 N 0.00 1.05 -0.27 5.55 3.00 -1.26 -4.18 116.66 120.55 1vsp n ARG 50 Ca 0.00 0.02 0.04 0.00 -0.01 0.00 0.00 57.85 57.91 1vsp n ARG 50 Cb 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 32.46 31.20 1vsp n ARG 50 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1vsp h VAL 51 N 0.00 0.79 -1.23 1.55 -1.51 -1.98 -3.38 116.25 110.49 1vsp h VAL 51 Ca -0.47 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1vsp h VAL 51 Cb 1.99 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1vsp h VAL 51 CO 0.00 0.11 0.00 -1.20 -1.23 0.00 0.00 177.57 175.25 1vsp n SER 52 N -4.87 -0.89 0.00 4.19 7.64 -1.26 -4.79 113.62 113.64 1vsp n SER 52 Ca 0.14 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1vsp n SER 52 Cb 0.35 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.57 1vsp n SER 52 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1vsp n PRO 53 N -1.24 0.01 0.00 1.43 -0.04 -1.26 -4.86 135.00 129.05 1vsp n PRO 53 Ca 0.00 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1vsp n PRO 53 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1vsp n PRO 53 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1vsp n LYS 54 N -1.16 0.00 -0.75 0.54 3.00 -1.26 -5.08 118.16 113.45 1vsp n LYS 54 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.00 1vsp n LYS 54 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.18 1vsp n LYS 54 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1vsp n TYR 55 N 0.00 0.22 0.00 5.64 0.18 -1.26 -3.20 117.16 118.74 1vsp n TYR 55 Ca 0.00 0.35 0.00 0.00 1.88 0.00 0.00 57.90 60.13 1vsp n TYR 55 Cb 0.00 -1.95 0.00 0.00 -0.38 0.00 0.00 39.34 37.01 1vsp n TYR 55 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1vsp n PRO 56 N -3.41 0.00 -0.01 -3.48 -0.04 -1.26 -4.61 135.00 122.18 1vsp n PRO 56 Ca 0.11 0.66 -0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1vsp n PRO 56 Cb 0.52 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1vsp n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1vsp n GLN 57 N -2.04 0.47 0.00 0.54 6.02 -1.24 -4.10 117.38 117.02 1vsp n GLN 57 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1vsp n GLN 57 Cb 0.00 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.22 1vsp n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vsp n GLY 58 N -0.01 3.87 0.00 1.08 0.00 0.25 -4.72 105.19 105.66 1vsp n GLY 58 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1vsp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsp n GLY 59 N 1.88 2.78 2.98 -0.02 0.00 -1.26 -4.88 105.19 106.66 1vsp n GLY 59 Ca 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1vsp n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vsp n PHE 60 N 0.00 -3.31 0.00 1.61 3.72 -1.26 -3.68 117.46 114.54 1vsp n PHE 60 Ca 0.00 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1vsp n PHE 60 Cb 0.00 -1.52 0.00 0.00 -0.94 0.00 0.00 39.48 37.02 1vsp n PHE 60 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1vsp n ILE 61 N -1.66 0.00 -3.50 4.37 5.41 -1.26 -4.78 119.36 117.94 1vsp n ILE 61 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1vsp n ILE 61 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1vsp n ILE 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1vsp n GLU 62 N -0.87 0.00 0.00 0.38 1.02 -1.26 -4.15 120.64 115.77 1vsp n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vsp n GLU 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1vsp n GLU 62 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vsp n LYS 63 N 0.00 0.00 0.00 3.49 5.02 -1.23 -4.67 118.16 120.77 1vsp n LYS 63 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vsp n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vsp n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1vsp n GLU 64 N -0.04 -1.29 0.13 1.97 0.00 -1.20 -5.00 120.64 115.20 1vsp n GLU 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1vsp n GLU 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1vsp n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vsp n ALA 65 N -0.08 3.00 -1.00 4.31 0.00 -1.26 -2.87 120.51 122.61 1vsp n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 65 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1vsp n ALA 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vsp n PRO 66 N -3.47 0.72 0.00 0.00 -0.02 -1.26 -4.63 135.00 126.35 1vsp n PRO 66 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vsp n PRO 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1vsp n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1vsp n LEU 67 N 0.00 0.00 -0.89 2.45 -0.00 -1.26 -4.95 117.00 112.35 1vsp n LEU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsp n LEU 67 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vsp n LEU 67 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 178.80 1vsp n HIS 68 N 0.00 0.00 -4.16 1.96 8.25 -1.26 -5.13 115.22 114.88 1vsp n HIS 68 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1vsp n HIS 68 Cb 0.00 -1.55 -0.04 0.00 1.12 0.00 0.00 29.99 29.52 1vsp n HIS 68 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vsp n ALA 69 N -0.89 0.38 -3.67 -1.41 0.00 -1.26 -4.40 120.51 109.26 1vsp n ALA 69 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 53.44 52.42 1vsp n ALA 69 Cb 0.33 0.84 0.00 0.00 0.00 0.00 0.00 19.45 20.62 1vsp n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vsp s SER 70 N -2.26 -0.02 0.00 0.00 0.15 -1.10 -4.78 113.70 105.69 1vsp s SER 70 Ca 0.20 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1vsp s SER 70 Cb 0.01 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1vsp s SER 70 CO 0.14 -0.13 0.00 2.29 1.20 0.00 0.00 173.24 176.74 1vsp n LYS 71 N -0.59 0.53 -3.55 5.44 0.00 -1.26 -2.84 118.16 115.88 1vsp n LYS 71 Ca -0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.84 1vsp n LYS 71 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.58 1vsp n LYS 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vsp s VAL 72 N 3.72 4.44 -0.45 0.58 0.11 -1.26 -4.81 120.40 122.72 1vsp s VAL 72 Ca 0.00 -2.47 0.05 0.00 -2.93 0.00 0.00 61.98 56.63 1vsp s VAL 72 Cb 0.00 -3.84 0.20 0.00 -1.53 0.00 0.00 36.38 31.20 1vsp s VAL 72 CO 0.00 -0.89 0.43 0.54 -3.33 0.00 0.00 175.10 171.85 1vsp n ARG 73 N 4.04 0.65 -0.18 1.54 1.74 -1.26 -4.83 116.66 118.37 1vsp n ARG 73 Ca 0.05 -3.43 -0.04 0.00 -0.77 0.00 0.00 57.85 53.66 1vsp n ARG 73 Cb 0.41 -1.65 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 1vsp n ARG 73 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1vsp h PRO 74 N 5.08 0.95 0.00 5.56 0.11 -1.95 -3.42 132.00 138.33 1vsp h PRO 74 Ca 0.20 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1vsp h PRO 74 Cb 0.87 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1vsp h PRO 74 CO 0.46 0.83 -0.60 1.51 -0.21 0.00 0.00 178.00 179.99 1vsp n ILE 75 N -4.27 0.03 -1.28 4.15 3.06 -1.26 -5.12 119.36 114.67 1vsp n ILE 75 Ca 0.05 0.01 -0.33 0.00 -2.50 0.00 0.00 62.75 59.98 1vsp n ILE 75 Cb 0.22 -1.13 0.10 0.00 0.54 0.00 0.00 39.64 39.38 1vsp n ILE 75 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vsp n PRO 77 N -3.17 0.00 0.00 0.00 -0.02 -1.26 -4.89 135.00 125.67 1vsp n PRO 77 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1vsp n PRO 77 Cb 0.51 -0.27 0.00 0.00 -0.02 0.00 0.00 33.50 33.73 1vsp n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsp n ALA 78 N -3.00 0.00 -2.37 3.55 0.00 -1.26 -4.94 120.51 112.49 1vsp n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsp n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsp n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsp n GLY 80 N 5.00 -2.06 2.70 0.00 0.00 -1.26 -5.15 105.19 104.43 1vsp n GLY 80 Ca 0.00 0.74 -0.21 0.00 0.00 0.00 0.00 46.02 46.55 1vsp n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vsp s LYS 81 N 0.00 0.05 0.00 1.61 2.20 -1.26 -4.56 119.74 117.79 1vsp s LYS 81 Ca 0.00 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1vsp s LYS 81 Cb 0.00 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.21 1vsp s LYS 81 CO 0.00 -0.52 0.00 -0.35 -0.36 0.00 0.00 175.35 174.12 1vsp n PRO 82 N 5.30 -0.47 -0.76 4.03 -0.04 -1.26 -5.14 135.00 136.66 1vsp n PRO 82 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1vsp n PRO 82 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1vsp n PRO 82 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1vsp n THR 83 N -2.11 0.00 0.00 0.52 -2.24 -1.26 -5.20 114.28 103.99 1vsp n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vsp n THR 83 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vsp n THR 83 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1vsp n ARG 84 N 0.00 0.00 0.00 -0.78 -4.01 -1.26 -5.02 116.66 105.58 1vsp n ARG 84 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1vsp n ARG 84 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1vsp n ARG 84 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1vsp n VAL 85 N -0.05 0.00 -2.70 8.89 0.31 -1.26 -4.98 118.33 118.54 1vsp n VAL 85 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1vsp n VAL 85 Cb 0.00 -0.74 0.03 0.00 -0.91 0.00 0.00 33.84 32.22 1vsp n VAL 85 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1vsp s ARG 86 N -1.77 0.36 0.00 5.55 6.06 -1.26 -5.12 118.95 122.78 1vsp s ARG 86 Ca 0.00 -0.35 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 1vsp s ARG 86 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.00 1vsp s ARG 86 CO 0.00 -0.45 0.00 1.63 -2.50 0.00 0.00 175.30 173.98 1vsp n LYS 87 N 2.71 0.00 0.00 5.12 5.02 -1.26 -5.11 118.16 124.64 1vsp n LYS 87 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1vsp n LYS 87 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 1vsp n LYS 87 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1vsp n LYS 88 N 0.00 -0.49 -1.52 1.97 3.00 -1.26 -4.70 118.16 115.15 1vsp n LYS 88 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 1vsp n LYS 88 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1vsp n LYS 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1vsp n PHE 89 N -1.97 0.62 0.00 5.64 7.35 -1.24 -3.10 117.46 124.77 1vsp n PHE 89 Ca 0.00 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1vsp n PHE 89 Cb 0.00 -1.70 0.00 0.00 0.35 0.00 0.00 39.48 38.13 1vsp n PHE 89 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1vsp n LEU 90 N 11.64 0.00 0.00 -2.13 7.94 -1.26 -3.07 117.00 130.12 1vsp n LEU 90 Ca 0.58 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 1vsp n LEU 90 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1vsp n LEU 90 CO 0.86 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.35 1vsp n GLU 91 N 0.00 0.00 0.00 1.96 2.13 -1.18 -4.74 120.64 118.81 1vsp n GLU 91 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1vsp n GLU 91 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1vsp n GLU 91 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1vsp n ASN 92 N 0.00 0.12 -0.33 4.31 6.94 -1.17 -4.74 115.26 120.39 1vsp n ASN 92 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1vsp n ASN 92 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1vsp n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vsp n GLY 93 N 4.18 0.65 3.95 4.83 0.00 -1.26 -3.63 105.19 113.91 1vsp n GLY 93 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1vsp n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsp s LYS 94 N -1.33 2.11 -0.31 1.61 1.02 -1.26 -4.96 119.74 116.62 1vsp s LYS 94 Ca 0.00 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1vsp s LYS 94 Cb 0.00 -2.24 0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1vsp s LYS 94 CO 0.00 -1.22 1.05 1.17 -0.92 0.00 0.00 175.35 175.43 1vsp n LYS 95 N -2.83 0.20 -1.54 1.68 4.81 -1.26 -5.15 118.16 114.06 1vsp n LYS 95 Ca 0.09 -0.71 0.00 0.00 -0.87 0.00 0.00 58.31 56.83 1vsp n LYS 95 Cb 0.60 -0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 1vsp n LYS 95 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1vsp n ILE 96 N -0.51 -3.31 -4.14 3.15 2.08 -1.26 -4.88 119.36 110.49 1vsp n ILE 96 Ca -0.27 1.61 -0.12 0.00 0.56 0.00 0.00 62.75 64.53 1vsp n ILE 96 Cb 0.65 -2.54 -0.08 0.00 -0.75 0.00 0.00 39.64 36.92 1vsp n ILE 96 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vsp s ARG 97 N -5.07 1.45 0.00 0.38 1.04 -1.26 -4.31 118.95 111.18 1vsp s ARG 97 Ca 0.00 -1.58 0.00 0.00 -1.04 0.00 0.00 55.73 53.11 1vsp s ARG 97 Cb 0.00 0.36 0.00 0.00 -2.04 0.00 0.00 34.95 33.27 1vsp s ARG 97 CO 0.00 -0.54 0.00 0.28 -0.04 0.00 0.00 175.30 175.00 1vsp n VAL 98 N -0.38 0.00 -2.94 4.99 0.31 -1.26 -4.87 118.33 114.19 1vsp n VAL 98 Ca 0.01 0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 64.79 1vsp n VAL 98 Cb 0.64 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1vsp n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vsp n ALA 100 N 3.55 0.00 0.00 0.00 0.00 -1.26 -4.96 120.51 117.83 1vsp n ALA 100 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1vsp n ALA 100 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1vsp n ALA 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vsp n LYS 101 N 0.00 0.00 -3.55 0.00 2.85 -1.26 -4.95 118.16 111.25 1vsp n LYS 101 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1vsp n LYS 101 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1vsp n LYS 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35