#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s ARG 2 N 0.00 0.79 -1.18 2.12 0.52 -1.26 -5.10 118.95 114.84 1vsa s ARG 2 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.68 1vsa s ARG 2 Cb 0.00 0.31 0.15 0.00 0.52 0.00 0.00 34.95 35.93 1vsa s ARG 2 CO 0.00 -0.36 1.44 0.14 0.02 0.00 0.00 175.30 176.54 1vsa s VAL 3 N -2.95 4.83 -0.27 3.52 -7.23 -1.26 -4.91 120.40 112.13 1vsa s VAL 3 Ca 0.10 -2.33 -0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1vsa s VAL 3 Cb -0.00 -4.94 0.15 0.00 0.56 0.00 0.00 36.38 32.15 1vsa s VAL 3 CO -0.04 -1.67 0.38 -0.75 -0.31 0.00 0.00 175.10 172.71 1vsa s LYS 4 N 2.22 0.38 0.00 4.82 2.47 -1.26 -5.08 119.74 123.28 1vsa s LYS 4 Ca 0.43 0.24 0.00 0.00 -1.56 0.00 0.00 55.97 55.09 1vsa s LYS 4 Cb -0.02 -0.41 0.00 0.00 -1.46 0.00 0.00 37.83 35.94 1vsa s LYS 4 CO -0.00 -0.89 0.00 -0.12 0.16 0.00 0.00 175.35 174.50 1vsa n MET 5 N 5.35 0.00 0.00 4.03 1.56 -1.26 -5.18 117.12 121.62 1vsa n MET 5 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1vsa n MET 5 Cb 0.49 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.86 1vsa n MET 5 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1vsa n HIS 6 N 0.00 0.00 0.00 1.12 8.25 -1.26 -5.19 115.22 118.14 1vsa n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vsa n HIS 6 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vsa n HIS 6 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1vsa n VAL 7 N 0.00 0.00 -3.85 1.59 0.24 -1.26 -5.19 118.33 109.86 1vsa n VAL 7 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1vsa n VAL 7 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vsa n VAL 7 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1vsa s LYS 8 N 4.48 2.26 0.00 7.34 -2.85 -1.26 -4.79 119.74 124.92 1vsa s LYS 8 Ca 0.00 -1.99 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 1vsa s LYS 8 Cb 0.00 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1vsa s LYS 8 CO 0.00 -0.61 0.00 0.36 0.10 0.00 0.00 175.35 175.20 1vsa n LYS 9 N -1.77 0.00 0.00 1.78 2.85 -1.26 -4.61 118.16 115.14 1vsa n LYS 9 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1vsa n LYS 9 Cb 0.64 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.02 1vsa n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vsa n GLY 10 N 0.00 1.74 0.00 2.58 0.00 -1.26 -2.20 105.19 106.06 1vsa n GLY 10 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1vsa n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vsa n ASP 11 N 3.82 0.00 0.00 1.61 2.03 -1.26 -4.56 116.55 118.19 1vsa n ASP 11 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1vsa n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1vsa n ASP 11 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1vsa n THR 12 N -0.59 0.00 0.00 5.18 -1.04 -0.93 -1.80 114.28 115.09 1vsa n THR 12 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1vsa n THR 12 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1vsa n THR 12 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1vsa n VAL 13 N 0.00 0.00 -2.13 12.58 0.31 -0.98 -3.42 118.33 124.69 1vsa n VAL 13 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1vsa n VAL 13 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1vsa n VAL 13 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1vsa s LEU 14 N 0.00 3.60 0.00 7.52 2.96 -0.95 -2.91 118.68 128.91 1vsa s LEU 14 Ca 0.00 1.98 0.03 0.00 -0.22 0.00 0.00 54.13 55.92 1vsa s LEU 14 Cb 0.00 -4.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.12 1vsa s LEU 14 CO 0.00 -1.22 0.21 0.55 -1.32 0.00 0.00 176.35 174.57 1vsa n VAL 15 N -1.73 0.00 -3.61 1.68 3.14 -1.05 -3.66 118.33 113.10 1vsa n VAL 15 Ca 0.10 -1.43 -0.39 0.00 -2.96 0.00 0.00 64.34 59.66 1vsa n VAL 15 Cb 0.52 0.75 -0.07 0.00 -1.06 0.00 0.00 33.84 33.98 1vsa n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vsa s ALA 16 N -2.72 3.81 -2.45 1.55 0.00 -1.26 -2.39 121.76 118.29 1vsa s ALA 16 Ca 0.23 -3.38 0.22 0.00 0.00 0.00 0.00 51.96 49.04 1vsa s ALA 16 Cb 0.01 -2.90 0.37 0.00 0.00 0.00 0.00 23.12 20.60 1vsa s ALA 16 CO 0.17 -2.16 1.35 0.43 0.00 0.00 0.00 175.76 175.54 1vsa n SER 17 N 3.40 3.31 0.00 0.00 7.64 -1.26 -4.65 113.62 122.06 1vsa n SER 17 Ca 0.12 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 58.03 1vsa n SER 17 Cb 0.40 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1vsa n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vsa n GLY 18 N 1.40 -0.71 0.99 0.23 0.00 -1.26 -5.05 105.19 100.80 1vsa n GLY 18 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 1vsa n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsa n LYS 19 N 0.00 0.01 0.00 1.61 3.00 -1.26 -5.18 118.16 116.35 1vsa n LYS 19 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1vsa n LYS 19 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 35.03 34.68 1vsa n LYS 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1vsa n TYR 20 N -3.16 0.00 -0.67 5.64 4.02 -1.01 -4.92 117.16 117.06 1vsa n TYR 20 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.97 1vsa n TYR 20 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.30 1vsa n TYR 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1vsa n LYS 21 N 1.29 -1.47 -4.41 -0.72 5.02 -1.26 -4.68 118.16 111.92 1vsa n LYS 21 Ca 0.00 1.12 -0.19 0.00 -2.02 0.00 0.00 58.31 57.21 1vsa n LYS 21 Cb 0.00 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 33.12 1vsa n LYS 21 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1vsa s GLY 22 N -5.95 0.49 0.26 0.72 0.00 -1.24 -2.53 107.32 99.07 1vsa s GLY 22 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.30 1vsa s GLY 22 CO 0.00 -0.31 0.28 -1.60 0.00 0.00 0.00 173.10 171.47 1vsa s ARG 23 N -0.16 1.50 0.87 2.90 3.52 -1.26 -4.69 118.95 121.63 1vsa s ARG 23 Ca 0.03 -1.67 -0.11 0.00 -0.13 0.00 0.00 55.73 53.84 1vsa s ARG 23 Cb -0.05 0.35 0.11 0.00 -1.56 0.00 0.00 34.95 33.80 1vsa s ARG 23 CO -0.00 -0.56 1.09 0.54 -0.81 0.00 0.00 175.30 175.56 1vsa s VAL 24 N -3.79 2.79 1.08 7.11 0.11 -1.19 -2.23 120.40 124.27 1vsa s VAL 24 Ca 0.35 0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 59.48 1vsa s VAL 24 Cb 0.03 -2.69 0.25 0.00 -1.53 0.00 0.00 36.38 32.44 1vsa s VAL 24 CO 0.16 -0.34 1.25 -0.83 -3.33 0.00 0.00 175.10 172.01 1vsa s GLY 25 N -3.32 1.71 0.00 6.54 0.00 -0.74 -4.71 107.32 106.80 1vsa s GLY 25 Ca 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1vsa s GLY 25 CO 0.57 -0.31 0.00 1.17 0.00 0.00 0.00 173.10 174.53 1vsa n LYS 26 N -4.22 0.00 -3.63 2.90 4.81 -1.24 -4.78 118.16 111.99 1vsa n LYS 26 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.49 1vsa n LYS 26 Cb 0.59 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.60 1vsa n LYS 26 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1vsa s VAL 27 N -0.20 0.07 -0.29 3.15 -7.23 -1.04 -4.53 120.40 110.32 1vsa s VAL 27 Ca 0.00 -0.56 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 1vsa s VAL 27 Cb 0.00 -1.15 0.13 0.00 0.56 0.00 0.00 36.38 35.91 1vsa s VAL 27 CO 0.00 -0.31 0.93 -1.59 -0.31 0.00 0.00 175.10 173.82 1vsa s LYS 28 N -3.75 0.48 0.27 4.82 0.00 -1.26 -1.52 119.74 118.78 1vsa s LYS 28 Ca 0.03 0.76 0.10 0.00 0.00 0.00 0.00 55.97 56.86 1vsa s LYS 28 Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.94 1vsa s LYS 28 CO -0.12 -0.09 -0.04 -1.83 0.00 0.00 0.00 175.35 173.27 1vsa s GLU 29 N 1.13 2.18 -0.14 1.78 -1.05 -0.63 -5.01 118.70 116.96 1vsa s GLU 29 Ca -0.06 -1.48 0.13 0.00 -0.15 0.00 0.00 54.97 53.40 1vsa s GLU 29 Cb -0.04 -2.09 -0.18 0.00 -0.44 0.00 0.00 34.13 31.38 1vsa s GLU 29 CO -0.13 0.36 0.06 0.28 0.95 0.00 0.00 175.26 176.77 1vsa n VAL 30 N -0.85 0.98 -0.09 1.83 0.31 -1.26 -3.41 118.33 115.84 1vsa n VAL 30 Ca -0.06 -0.61 -0.02 0.00 -0.01 0.00 0.00 64.34 63.63 1vsa n VAL 30 Cb 0.59 -0.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1vsa n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vsa n LEU 31 N -2.53 -0.22 -0.35 7.52 7.99 -1.26 -0.43 117.00 127.72 1vsa n LEU 31 Ca -0.23 0.73 0.10 0.00 -0.01 0.00 0.00 56.01 56.60 1vsa n LEU 31 Cb 0.96 -0.23 -0.03 0.00 -0.11 0.00 0.00 43.42 44.01 1vsa n LEU 31 CO 0.31 -0.48 0.20 -0.81 -1.51 0.00 0.00 177.39 175.11 1vsa n PRO 32 N -3.35 1.04 -0.39 3.23 -0.04 -1.26 -4.98 135.00 129.25 1vsa n PRO 32 Ca 0.00 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1vsa n PRO 32 Cb 0.05 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1vsa n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vsa n LYS 33 N -0.42 0.00 -1.62 0.54 5.02 0.43 -4.82 118.16 117.29 1vsa n LYS 33 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1vsa n LYS 33 Cb 0.41 -1.05 0.05 0.00 -0.02 0.00 0.00 35.03 34.42 1vsa n LYS 33 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1vsa s LYS 34 N -0.61 2.95 0.00 1.97 1.02 -1.22 -3.61 119.74 120.24 1vsa s LYS 34 Ca 0.00 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1vsa s LYS 34 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1vsa s LYS 34 CO 0.00 -1.09 0.00 2.48 -0.92 0.00 0.00 175.35 175.82 1vsa n TYR 35 N -3.00 0.00 -3.63 3.18 0.18 -1.06 -1.60 117.16 111.24 1vsa n TYR 35 Ca 0.08 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.83 1vsa n TYR 35 Cb 0.53 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.48 1vsa n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1vsa s ALA 36 N -1.00 -1.96 0.00 -3.48 0.00 -0.57 -4.24 121.76 110.51 1vsa s ALA 36 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1vsa s ALA 36 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1vsa s ALA 36 CO 0.00 -0.87 0.00 1.33 0.00 0.00 0.00 175.76 176.22 1vsa n VAL 37 N -0.34 0.00 0.00 0.00 0.24 -1.26 -2.50 118.33 114.46 1vsa n VAL 37 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1vsa n VAL 37 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1vsa n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ILE 38 N 0.00 0.00 0.00 1.34 3.06 -1.26 -4.44 119.36 118.05 1vsa n ILE 38 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1vsa n ILE 38 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1vsa n ILE 38 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1vsa n VAL 39 N 0.00 0.00 -0.71 9.51 0.31 -1.26 -4.21 118.33 121.97 1vsa n VAL 39 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1vsa n VAL 39 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1vsa n VAL 39 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1vsa n GLU 40 N 0.00 0.00 -2.83 5.55 0.00 -1.26 -4.78 120.64 117.31 1vsa n GLU 40 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1vsa n GLU 40 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 31.44 30.64 1vsa n GLU 40 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1vsa s GLY 41 N 3.92 1.54 -0.11 8.31 0.00 -1.26 -2.56 107.32 117.16 1vsa s GLY 41 Ca 0.65 -0.64 -0.09 0.00 0.00 0.00 0.00 44.72 44.65 1vsa s GLY 41 CO 0.28 1.99 0.28 0.14 0.00 0.00 0.00 173.10 175.79 1vsa s VAL 42 N 3.55 -0.01 -0.13 1.40 1.01 -1.26 -4.96 120.40 119.99 1vsa s VAL 42 Ca 0.37 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1vsa s VAL 42 Cb -0.11 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1vsa s VAL 42 CO 0.22 0.02 -0.14 0.54 0.00 0.00 0.00 175.10 175.74 1vsa s ASN 43 N 0.46 2.55 -0.57 3.32 2.20 -1.25 -2.31 114.94 119.34 1vsa s ASN 43 Ca -0.03 -0.45 -0.18 0.00 -0.94 0.00 0.00 52.86 51.27 1vsa s ASN 43 Cb -0.04 -1.11 0.11 0.00 -2.00 0.00 0.00 41.25 38.21 1vsa s ASN 43 CO -0.02 -0.04 0.62 0.27 -2.94 0.00 0.00 177.10 174.98 1vsa s ILE 44 N 1.36 4.98 -0.18 0.54 -4.36 -1.22 -4.80 121.20 117.52 1vsa s ILE 44 Ca 0.01 -1.21 -0.32 0.00 -0.26 0.00 0.00 60.65 58.88 1vsa s ILE 44 Cb -0.13 -4.43 -0.09 0.00 1.25 0.00 0.00 42.46 39.06 1vsa s ILE 44 CO -0.08 -1.02 2.10 1.33 0.24 0.00 0.00 174.94 177.51 1vsa n VAL 45 N 5.42 0.43 -0.51 8.37 0.24 -1.26 0.44 118.33 131.45 1vsa n VAL 45 Ca -0.11 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.34 61.66 1vsa n VAL 45 Cb 0.41 -2.15 0.22 0.00 -1.47 0.00 0.00 33.84 30.85 1vsa n VAL 45 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vsa n LYS 46 N 7.93 -3.63 -0.51 7.34 5.02 -1.18 -4.29 118.16 128.84 1vsa n LYS 46 Ca 0.29 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 1vsa n LYS 46 Cb 0.35 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1vsa n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1vsa n LYS 47 N -4.68 2.02 -0.30 1.97 4.81 -1.26 -2.01 118.16 118.71 1vsa n LYS 47 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1vsa n LYS 47 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1vsa n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vsa n ALA 48 N -3.00 3.06 -1.39 3.14 0.00 -1.26 0.85 120.51 121.91 1vsa n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 48 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1vsa n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vsa n VAL 49 N 1.58 0.00 0.00 0.00 0.31 -1.26 -4.85 118.33 114.11 1vsa n VAL 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vsa n VAL 49 Cb 0.33 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1vsa n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vsa n ARG 50 N -0.04 0.00 -0.35 5.55 1.74 -1.25 -2.49 116.66 119.81 1vsa n ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1vsa n ARG 50 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 1vsa n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1vsa h VAL 51 N 0.00 0.03 -0.15 1.55 2.07 -1.94 -3.19 116.25 114.62 1vsa h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1vsa h VAL 51 Cb 0.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1vsa h VAL 51 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1vsa n SER 52 N -5.48 0.00 0.32 0.57 7.64 -1.26 -4.66 113.62 110.75 1vsa n SER 52 Ca 0.10 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.07 1vsa n SER 52 Cb 0.40 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 64.11 1vsa n SER 52 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vsa h PRO 53 N 0.00 0.00 0.00 1.43 0.13 -1.99 -3.44 132.00 128.13 1vsa h PRO 53 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vsa h PRO 53 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1vsa h PRO 53 CO 0.00 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 178.94 1vsa n LYS 54 N -2.67 -2.55 0.00 0.86 3.00 -1.21 -5.09 118.16 110.50 1vsa n LYS 54 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1vsa n LYS 54 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 1vsa n LYS 54 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1vsa n TYR 55 N 5.47 0.00 -0.87 5.64 0.18 -1.04 -3.78 117.16 122.76 1vsa n TYR 55 Ca 0.00 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 1vsa n TYR 55 Cb 0.00 0.00 0.22 0.00 -0.38 0.00 0.00 39.34 39.18 1vsa n TYR 55 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1vsa s PRO 56 N 0.00 -0.61 0.00 -3.48 0.04 0.25 -4.50 135.00 126.70 1vsa s PRO 56 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1vsa s PRO 56 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1vsa s PRO 56 CO 0.00 -3.43 0.00 0.94 0.04 0.00 0.00 177.00 174.55 1vsa n GLN 57 N -4.66 0.00 0.00 4.56 7.27 -0.85 -4.55 117.38 119.15 1vsa n GLN 57 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1vsa n GLN 57 Cb 0.57 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.22 1vsa n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vsa n GLY 58 N 0.66 1.41 0.00 1.69 0.00 0.17 -3.09 105.19 106.02 1vsa n GLY 58 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1vsa n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 59 N 5.00 1.93 2.61 -0.02 0.00 -1.25 -4.79 105.19 108.67 1vsa n GLY 59 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1vsa n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vsa n PHE 60 N 0.00 -3.03 0.00 1.61 -0.00 -1.25 -3.43 117.46 111.35 1vsa n PHE 60 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 1vsa n PHE 60 Cb 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 39.48 38.25 1vsa n PHE 60 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1vsa n ILE 61 N -2.56 0.00 0.00 -2.13 3.06 -0.98 -4.79 119.36 111.96 1vsa n ILE 61 Ca -0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1vsa n ILE 61 Cb 0.56 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.74 1vsa n ILE 61 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1vsa n GLU 62 N 0.00 -2.88 0.00 9.51 -0.58 -1.06 -4.34 120.64 121.29 1vsa n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vsa n GLU 62 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1vsa n GLU 62 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1vsa n LYS 63 N -0.25 0.00 0.00 3.49 4.81 -1.26 -4.91 118.16 120.03 1vsa n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vsa n LYS 63 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vsa n LYS 63 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1vsa n GLU 64 N 0.00 -2.53 0.00 1.64 0.00 -1.26 -5.03 120.64 113.46 1vsa n GLU 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1vsa n GLU 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1vsa n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vsa n ALA 65 N -0.33 1.10 -1.00 4.31 0.00 -1.24 -2.55 120.51 120.79 1vsa n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vsa n PRO 66 N -1.23 2.75 -1.24 0.00 -0.02 -1.26 -4.80 135.00 129.20 1vsa n PRO 66 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1vsa n PRO 66 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 33.50 33.70 1vsa n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vsa s LEU 67 N 0.00 1.16 0.00 2.45 1.98 -1.26 -4.93 118.68 118.09 1vsa s LEU 67 Ca 0.00 0.66 0.00 0.00 -2.89 0.00 0.00 54.13 51.90 1vsa s LEU 67 Cb 0.00 -2.53 0.00 0.00 0.66 0.00 0.00 46.19 44.32 1vsa s LEU 67 CO 0.00 -3.72 0.00 1.41 -1.89 0.00 0.00 176.35 172.15 1vsa n HIS 68 N -4.49 0.00 -3.41 5.38 8.25 -1.26 -5.17 115.22 114.52 1vsa n HIS 68 Ca 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.57 1vsa n HIS 68 Cb 0.59 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.71 1vsa n HIS 68 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vsa n ALA 69 N 0.00 -0.51 -3.00 -1.41 0.00 -1.26 -4.47 120.51 109.86 1vsa n ALA 69 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1vsa n ALA 69 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1vsa n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vsa n SER 70 N -0.85 0.00 -3.51 0.00 2.88 -1.15 -5.04 113.62 105.95 1vsa n SER 70 Ca -0.01 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1vsa n SER 70 Cb 0.12 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.50 1vsa n SER 70 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1vsa s LYS 71 N 1.31 1.73 0.16 -1.46 0.00 -1.22 -3.03 119.74 117.23 1vsa s LYS 71 Ca 0.00 -2.01 -0.16 0.00 0.00 0.00 0.00 55.97 53.81 1vsa s LYS 71 Cb 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 37.83 37.97 1vsa s LYS 71 CO 0.00 -0.61 0.58 0.54 0.00 0.00 0.00 175.35 175.86 1vsa s VAL 72 N -3.48 4.80 0.00 1.79 0.11 -1.26 -4.97 120.40 117.39 1vsa s VAL 72 Ca 0.39 0.94 0.00 0.00 -2.93 0.00 0.00 61.98 60.37 1vsa s VAL 72 Cb 0.03 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1vsa s VAL 72 CO 0.25 0.26 0.00 -2.11 -3.33 0.00 0.00 175.10 170.17 1vsa n ARG 73 N 0.85 0.00 0.00 1.54 -4.01 -1.26 -4.80 116.66 108.98 1vsa n ARG 73 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 1vsa n ARG 73 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 1vsa n ARG 73 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 1vsa n PRO 74 N 0.00 0.00 0.00 2.89 -0.02 -1.26 -4.45 135.00 132.16 1vsa n PRO 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vsa n PRO 74 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1vsa n PRO 74 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1vsa n ILE 75 N 0.00 0.00 -0.08 4.25 3.06 -1.26 -4.64 119.36 120.69 1vsa n ILE 75 Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 1vsa n ILE 75 Cb 0.00 0.00 0.09 0.00 0.54 0.00 0.00 39.64 40.27 1vsa n ILE 75 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vsa n PRO 77 N -3.05 0.16 -4.16 0.00 -0.02 -1.26 -4.96 135.00 121.72 1vsa n PRO 77 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.38 1vsa n PRO 77 Cb 0.19 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.56 1vsa n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsa s ALA 78 N -3.26 1.05 0.00 3.55 0.00 -1.26 -4.91 121.76 116.92 1vsa s ALA 78 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1vsa s ALA 78 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1vsa s ALA 78 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 175.76 175.74 1vsa n GLY 80 N 3.90 1.73 3.15 0.00 0.00 -1.26 -4.83 105.19 107.88 1vsa n GLY 80 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1vsa n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa s LYS 81 N 3.50 0.52 0.00 1.61 1.02 -1.26 -3.23 119.74 121.90 1vsa s LYS 81 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1vsa s LYS 81 Cb 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1vsa s LYS 81 CO 0.00 -0.90 0.00 -0.35 -0.92 0.00 0.00 175.35 173.18 1vsa n PRO 82 N 5.40 0.40 -1.24 -1.68 -0.04 -1.26 -5.05 135.00 131.52 1vsa n PRO 82 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1vsa n PRO 82 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1vsa n PRO 82 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1vsa n THR 83 N -1.06 0.00 -4.13 0.52 -2.24 -1.26 -4.90 114.28 101.20 1vsa n THR 83 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1vsa n THR 83 Cb 0.00 -0.42 -0.16 0.00 -2.10 0.00 0.00 70.33 67.65 1vsa n THR 83 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1vsa s ARG 84 N -1.18 0.69 -0.02 -0.78 3.00 -1.26 -5.04 118.95 114.36 1vsa s ARG 84 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 55.73 55.61 1vsa s ARG 84 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 34.95 34.20 1vsa s ARG 84 CO 0.00 -0.06 -0.08 0.28 0.00 0.00 0.00 175.30 175.44 1vsa n VAL 85 N 3.92 0.72 -2.21 3.52 0.31 -1.26 -4.58 118.33 118.75 1vsa n VAL 85 Ca -0.25 0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.18 1vsa n VAL 85 Cb 0.51 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1vsa n VAL 85 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsa n ARG 86 N -3.46 0.00 0.00 5.55 3.00 -1.26 -4.92 116.66 115.58 1vsa n ARG 86 Ca -0.09 -1.34 0.00 0.00 -0.00 0.00 0.00 57.85 56.43 1vsa n ARG 86 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1vsa n ARG 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1vsa n LYS 87 N 0.21 3.60 0.00 -0.14 5.02 -1.26 -5.07 118.16 120.53 1vsa n LYS 87 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vsa n LYS 87 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.88 1vsa n LYS 87 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1vsa n LYS 88 N 0.00 0.00 -2.48 1.97 3.00 -1.26 -4.47 118.16 114.92 1vsa n LYS 88 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1vsa n LYS 88 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1vsa n LYS 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1vsa s PHE 89 N 0.00 2.92 0.00 5.64 0.40 -1.26 -4.93 117.98 120.75 1vsa s PHE 89 Ca 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 1vsa s PHE 89 Cb 0.00 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.96 1vsa s PHE 89 CO 0.00 -1.42 0.00 1.28 0.70 0.00 0.00 175.22 175.78 1vsa n LEU 90 N 6.82 0.00 -1.95 -0.37 4.32 -1.26 -3.28 117.00 121.27 1vsa n LEU 90 Ca 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.10 1vsa n LEU 90 Cb 0.46 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.31 1vsa n LEU 90 CO 0.57 0.00 0.47 1.21 -1.22 0.00 0.00 177.39 178.42 1vsa n GLU 91 N 0.00 0.74 -3.45 3.23 2.13 -1.26 -4.58 120.64 117.44 1vsa n GLU 91 Ca 0.00 -0.88 -0.12 0.00 0.66 0.00 0.00 57.16 56.82 1vsa n GLU 91 Cb 0.00 0.38 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 1vsa n GLU 91 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1vsa n ASN 92 N -0.84 -0.81 0.00 4.31 6.94 -1.21 -4.75 115.26 118.90 1vsa n ASN 92 Ca -0.16 -2.47 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 1vsa n ASN 92 Cb 0.73 1.62 0.00 0.00 -2.36 0.00 0.00 39.78 39.77 1vsa n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vsa n GLY 93 N -0.44 0.50 0.00 4.83 0.00 -1.26 -4.79 105.19 104.03 1vsa n GLY 93 Ca 0.02 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1vsa n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsa n LYS 94 N 0.00 0.00 -3.10 1.61 5.02 -1.26 -5.10 118.16 115.33 1vsa n LYS 94 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1vsa n LYS 94 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1vsa n LYS 94 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1vsa n LYS 95 N 0.17 1.29 -2.22 1.97 4.81 -1.26 -5.08 118.16 117.83 1vsa n LYS 95 Ca 0.00 -3.56 -0.00 0.00 -0.87 0.00 0.00 58.31 53.88 1vsa n LYS 95 Cb 0.00 -1.74 -0.00 0.00 0.02 0.00 0.00 35.03 33.31 1vsa n LYS 95 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1vsa n ILE 96 N 0.18 -6.41 -4.55 3.15 0.00 -1.26 -4.87 119.36 105.60 1vsa n ILE 96 Ca 0.24 1.50 -0.26 0.00 0.00 0.00 0.00 62.75 64.24 1vsa n ILE 96 Cb 0.64 -3.73 -0.11 0.00 0.00 0.00 0.00 39.64 36.44 1vsa n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vsa s ARG 97 N -0.29 1.82 -0.05 9.51 1.04 -1.19 -4.21 118.95 125.57 1vsa s ARG 97 Ca -0.01 -1.98 -0.06 0.00 -1.04 0.00 0.00 55.73 52.63 1vsa s ARG 97 Cb 0.00 -1.50 -0.03 0.00 -2.04 0.00 0.00 34.95 31.37 1vsa s ARG 97 CO 0.03 0.01 0.30 0.28 -0.04 0.00 0.00 175.30 175.88 1vsa h VAL 98 N 1.97 0.00 0.00 4.99 2.07 -1.82 -3.32 116.25 120.14 1vsa h VAL 98 Ca -0.42 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1vsa h VAL 98 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1vsa h VAL 98 CO 0.74 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.33 1vsa n ALA 100 N 0.00 3.00 0.00 0.00 0.00 -1.26 -5.06 120.51 117.19 1vsa n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 100 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1vsa n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vsa n LYS 101 N -3.45 0.00 0.00 0.00 4.81 -1.26 -5.02 118.16 113.24 1vsa n LYS 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vsa n LYS 101 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vsa n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57