#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3s s LYS 2 N 0.00 1.22 -0.22 2.12 -0.14 -0.20 -2.96 119.74 119.56 1v3s s LYS 2 Ca 0.00 -1.46 -0.01 0.00 -1.36 0.00 0.00 55.97 53.14 1v3s s LYS 2 Cb 0.00 -1.07 0.02 0.00 -1.68 0.00 0.00 37.83 35.10 1v3s s LYS 2 CO 0.00 0.19 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.51 1v3s s LEU 3 N -2.96 2.79 -0.15 3.17 2.96 0.58 -1.54 118.68 123.53 1v3s s LEU 3 Ca 0.17 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.23 1v3s s LEU 3 Cb -0.02 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1v3s s LEU 3 CO 0.05 -0.06 0.40 -0.63 -1.32 0.00 0.00 176.35 174.80 1v3s s ILE 4 N 1.35 5.22 -0.24 6.68 1.01 0.39 -0.61 121.20 135.01 1v3s s ILE 4 Ca 0.03 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.47 1v3s s ILE 4 Cb -0.15 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1v3s s ILE 4 CO -0.07 0.32 -0.09 -0.69 0.00 0.00 0.00 174.94 174.41 1v3s s VAL 5 N 0.77 1.85 -0.07 2.92 1.01 0.39 -0.45 120.40 126.83 1v3s s VAL 5 Ca 0.21 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1v3s s VAL 5 Cb -0.14 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1v3s s VAL 5 CO 0.08 0.01 -0.19 0.00 0.00 0.00 0.00 175.10 175.00 1v3s s ALA 6 N 1.27 2.44 -0.25 5.51 0.00 -0.28 0.05 121.76 130.49 1v3s s ALA 6 Ca -0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1v3s s ALA 6 Cb -0.19 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1v3s s ALA 6 CO -0.06 0.44 -0.05 0.42 0.00 0.00 0.00 175.76 176.51 1v3s s ILE 7 N -0.31 2.98 0.28 0.00 -1.09 -0.36 -0.60 121.20 122.10 1v3s s ILE 7 Ca 0.02 -0.99 0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1v3s s ILE 7 Cb -0.13 -2.52 -0.06 0.00 -1.58 0.00 0.00 42.46 38.18 1v3s s ILE 7 CO 0.03 0.19 -0.04 0.68 -1.23 0.00 0.00 174.94 174.56 1v3s s VAL 8 N 1.34 1.55 0.35 2.92 -7.23 -0.28 -2.97 120.40 116.08 1v3s s VAL 8 Ca 0.00 -2.10 -0.28 0.00 -1.81 0.00 0.00 61.98 57.79 1v3s s VAL 8 Cb -0.17 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 1v3s s VAL 8 CO -0.04 -0.28 1.24 -0.13 -0.31 0.00 0.00 175.10 175.58 1v3s s ARG 9 N -3.75 4.30 0.32 4.82 0.52 -1.26 -1.12 118.95 122.77 1v3s s ARG 9 Ca 0.30 2.05 0.02 0.00 -0.52 0.00 0.00 55.73 57.58 1v3s s ARG 9 Cb 0.04 -2.97 0.57 0.00 0.52 0.00 0.00 34.95 33.11 1v3s s ARG 9 CO 0.12 -0.18 1.94 -1.35 0.02 0.00 0.00 175.30 175.85 1v3s h PRO 10 N 3.22 0.94 0.00 3.54 0.11 -1.89 -1.24 132.00 136.68 1v3s h PRO 10 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1v3s h PRO 10 Cb 1.23 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1v3s h PRO 10 CO 0.65 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.21 1v3s n GLU 11 N -4.47 0.14 0.00 1.05 0.00 -1.26 -2.14 120.64 113.96 1v3s n GLU 11 Ca 0.12 0.19 0.07 0.00 0.00 0.00 0.00 57.16 57.54 1v3s n GLU 11 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.12 1v3s n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v3s n LYS 12 N -1.35 1.77 -0.06 3.44 4.76 -0.48 -4.68 118.16 121.55 1v3s n LYS 12 Ca 0.06 -0.77 -0.07 0.00 -2.87 0.00 0.00 58.31 54.65 1v3s n LYS 12 Cb 0.13 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.10 1v3s n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1v3s h LEU 13 N 1.61 -0.30 -0.68 -0.35 5.85 -1.32 -1.40 115.31 118.73 1v3s h LEU 13 Ca 0.00 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1v3s h LEU 13 Cb 0.47 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1v3s h LEU 13 CO 0.00 -0.11 0.38 0.78 -0.34 0.00 0.00 178.44 179.15 1v3s h ASN 14 N -0.03 0.55 -0.66 1.25 -0.26 -1.83 0.23 115.58 114.82 1v3s h ASN 14 Ca 0.13 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.88 1v3s h ASN 14 Cb 0.22 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1v3s h ASN 14 CO -0.28 0.35 0.31 -0.08 -1.06 0.00 0.00 177.43 176.67 1v3s h GLU 15 N 0.69 0.96 -0.17 0.81 4.81 -1.78 -0.89 114.58 119.00 1v3s h GLU 15 Ca 0.31 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1v3s h GLU 15 Cb 0.21 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1v3s h GLU 15 CO -0.19 0.77 0.05 0.28 -0.73 0.00 0.00 179.01 179.19 1v3s h VAL 16 N 0.92 1.19 -0.80 0.32 2.07 -0.37 -0.93 116.25 118.65 1v3s h VAL 16 Ca 0.23 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1v3s h VAL 16 Cb 0.13 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1v3s h VAL 16 CO -0.03 0.18 0.51 -0.07 0.02 0.00 0.00 177.57 178.18 1v3s h LEU 17 N 0.10 0.93 -0.44 2.57 3.38 -0.39 -0.09 115.31 121.37 1v3s h LEU 17 Ca 0.06 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1v3s h LEU 17 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1v3s h LEU 17 CO -0.00 0.70 -0.14 0.11 0.09 0.00 0.00 178.44 179.19 1v3s h LYS 18 N 1.09 0.87 -0.41 1.13 1.57 -0.95 -1.75 116.57 118.11 1v3s h LYS 18 Ca 0.29 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1v3s h LYS 18 Cb -0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1v3s h LYS 18 CO -0.06 0.99 -0.18 0.00 -0.57 0.00 0.00 179.45 179.64 1v3s h ALA 19 N 0.85 0.92 -0.54 3.86 0.00 -0.65 -1.45 119.26 122.25 1v3s h ALA 19 Ca 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1v3s h ALA 19 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1v3s h ALA 19 CO 0.05 0.62 0.21 -0.07 0.00 0.00 0.00 179.25 180.06 1v3s h LEU 20 N 0.69 0.75 -0.59 0.00 3.38 -0.90 -0.78 115.31 117.87 1v3s h LEU 20 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1v3s h LEU 20 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1v3s h LEU 20 CO 0.05 0.73 0.34 0.15 0.09 0.00 0.00 178.44 179.80 1v3s h PHE 21 N 0.74 0.79 0.00 1.13 3.04 -1.02 0.92 116.94 122.54 1v3s h PHE 21 Ca 0.18 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1v3s h PHE 21 Cb 0.21 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1v3s h PHE 21 CO 0.01 0.55 -0.17 1.96 -2.02 0.00 0.00 178.31 178.64 1v3s h GLN 22 N 0.79 0.00 -0.48 1.11 1.08 -0.99 -1.78 115.11 114.85 1v3s h GLN 22 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1v3s h GLN 22 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1v3s h GLN 22 CO -0.04 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 178.01 1v3s n ALA 23 N -2.28 2.63 -2.00 3.87 0.00 -0.32 -4.90 120.51 117.50 1v3s n ALA 23 Ca -0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 1v3s n ALA 23 Cb 0.30 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1v3s n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v3s n GLU 24 N 0.52 -0.99 -3.76 0.00 -0.58 -0.67 -4.95 120.64 110.21 1v3s n GLU 24 Ca 0.13 0.71 -0.36 0.00 -0.42 0.00 0.00 57.16 57.22 1v3s n GLU 24 Cb 0.42 -4.88 -0.10 0.00 -0.57 0.00 0.00 31.44 26.31 1v3s n GLU 24 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1v3s s VAL 25 N -2.59 5.05 -0.00 2.62 1.01 0.23 -4.95 120.40 121.75 1v3s s VAL 25 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1v3s s VAL 25 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 1v3s s VAL 25 CO 0.00 0.37 -0.01 0.54 0.00 0.00 0.00 175.10 176.00 1v3s n ARG 26 N 4.22 0.01 -2.40 2.72 5.12 -1.26 -3.74 116.66 121.34 1v3s n ARG 26 Ca -0.16 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.34 1v3s n ARG 26 Cb 0.52 -0.76 -0.02 0.00 -1.16 0.00 0.00 32.46 31.03 1v3s n ARG 26 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1v3s s GLY 27 N -4.53 1.65 0.10 -0.13 0.00 -1.26 -4.99 107.32 98.17 1v3s s GLY 27 Ca -0.01 0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.95 1v3s s GLY 27 CO 0.01 2.52 0.68 0.48 0.00 0.00 0.00 173.10 176.79 1v3s s LEU 28 N 3.49 -0.52 -0.01 0.66 0.05 -1.26 -4.53 118.68 116.56 1v3s s LEU 28 Ca 0.56 0.05 0.03 0.00 0.05 0.00 0.00 54.13 54.82 1v3s s LEU 28 Cb -0.22 2.45 -0.00 0.00 -2.05 0.00 0.00 46.19 46.36 1v3s s LEU 28 CO 0.16 -0.85 -0.10 -0.89 -0.55 0.00 0.00 176.35 174.12 1v3s s THR 29 N -3.40 0.78 0.05 5.48 2.01 -0.51 -5.00 115.64 115.05 1v3s s THR 29 Ca 0.01 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1v3s s THR 29 Cb -0.01 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1v3s s THR 29 CO -0.10 0.23 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.55 1v3s s LEU 30 N -0.07 2.45 0.18 4.42 0.05 -1.26 -0.39 118.68 124.06 1v3s s LEU 30 Ca 0.01 -1.00 -0.19 0.00 0.05 0.00 0.00 54.13 53.00 1v3s s LEU 30 Cb -0.06 0.22 0.04 0.00 -2.05 0.00 0.00 46.19 44.34 1v3s s LEU 30 CO -0.00 -0.61 0.54 -0.94 -0.55 0.00 0.00 176.35 174.79 1v3s s SER 31 N -2.92 -0.35 0.07 1.48 1.04 -0.64 -5.00 113.70 107.38 1v3s s SER 31 Ca 0.08 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.01 1v3s s SER 31 Cb 0.08 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.71 1v3s s SER 31 CO -0.10 -1.02 0.54 -0.13 0.98 0.00 0.00 173.24 173.51 1v3s s ARG 32 N -3.83 4.11 0.25 4.02 0.52 -1.26 -0.88 118.95 121.88 1v3s s ARG 32 Ca 0.06 0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 55.85 1v3s s ARG 32 Cb -0.01 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1v3s s ARG 32 CO -0.07 0.62 0.32 0.14 0.02 0.00 0.00 175.30 176.33 1v3s s VAL 33 N -1.18 0.00 0.06 3.52 -7.23 -0.79 -4.90 120.40 109.88 1v3s s VAL 33 Ca 0.30 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1v3s s VAL 33 Cb -0.18 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1v3s s VAL 33 CO 0.18 0.00 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.66 1v3s s GLN 34 N -3.87 1.89 0.13 4.82 -0.21 -1.26 -1.09 119.66 120.07 1v3s s GLN 34 Ca 0.32 -1.08 -0.05 0.00 0.02 0.00 0.00 55.36 54.57 1v3s s GLN 34 Cb 0.03 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 1v3s s GLN 34 CO 0.13 0.52 0.15 0.20 -2.12 0.00 0.00 175.29 174.17 1v3s s GLY 35 N -1.52 0.65 0.03 3.09 0.00 0.62 -4.89 107.32 105.31 1v3s s GLY 35 Ca 0.14 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.78 1v3s s GLY 35 CO 0.05 -1.09 -0.15 -1.58 0.00 0.00 0.00 173.10 170.32 1v3s s HIS 36 N -3.99 1.34 0.00 1.90 2.46 -1.26 -0.23 115.29 115.51 1v3s s HIS 36 Ca 0.18 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.37 1v3s s HIS 36 Cb 0.06 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.70 1v3s s HIS 36 CO -0.01 0.04 0.47 0.41 -2.47 0.00 0.00 174.74 173.18 1v3s n GLY 37 N 2.02 -0.82 4.23 1.59 0.00 -1.26 -5.07 105.19 105.88 1v3s n GLY 37 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1v3s n GLY 37 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1v3s n MET 53 N -0.04 0.00 -3.60 1.61 0.00 -1.26 -5.17 117.12 108.66 1v3s n MET 53 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.34 1v3s n MET 53 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.20 1v3s n MET 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1v3s s GLU 54 N 0.00 4.15 -0.06 2.12 1.03 -1.26 -5.08 118.70 119.59 1v3s s GLU 54 Ca 0.00 -0.11 -0.06 0.00 0.03 0.00 0.00 54.97 54.83 1v3s s GLU 54 Cb 0.00 -3.49 -0.04 0.00 -0.80 0.00 0.00 34.13 29.79 1v3s s GLU 54 CO 0.00 0.12 0.18 -0.51 -1.33 0.00 0.00 175.26 173.73 1v3s s LEU 55 N 0.86 4.39 0.01 1.83 1.43 -1.26 -4.72 118.68 121.21 1v3s s LEU 55 Ca 0.11 0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 1v3s s LEU 55 Cb -0.13 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1v3s s LEU 55 CO 0.04 0.34 -0.23 -1.00 0.23 0.00 0.00 176.35 175.72 1v3s s HIS 56 N -1.16 2.41 0.29 0.29 3.76 0.68 -4.84 115.29 116.73 1v3s s HIS 56 Ca 0.21 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 1v3s s HIS 56 Cb -0.13 -1.47 -0.10 0.00 1.11 0.00 0.00 32.58 31.99 1v3s s HIS 56 CO 0.10 0.10 1.40 -1.21 -0.85 0.00 0.00 174.74 174.28 1v3s s GLU 57 N -1.00 4.28 0.24 1.40 2.02 -1.26 -0.27 118.70 124.11 1v3s s GLU 57 Ca 0.12 2.30 -0.03 0.00 0.02 0.00 0.00 54.97 57.38 1v3s s GLU 57 Cb -0.10 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 1v3s s GLU 57 CO 0.01 -0.35 0.28 0.15 0.02 0.00 0.00 175.26 175.37 1v3s s LYS 58 N -1.09 1.44 -0.06 1.61 -0.14 -0.25 -4.50 119.74 116.75 1v3s s LYS 58 Ca 0.55 -1.59 0.04 0.00 -1.36 0.00 0.00 55.97 53.60 1v3s s LYS 58 Cb -0.42 0.35 0.00 0.00 -1.68 0.00 0.00 37.83 36.08 1v3s s LYS 58 CO 0.49 -0.53 -0.18 0.08 -0.76 0.00 0.00 175.35 174.45 1v3s s VAL 59 N -3.91 1.53 -0.21 3.17 1.01 -0.28 -1.89 120.40 119.83 1v3s s VAL 59 Ca 0.34 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1v3s s VAL 59 Cb 0.04 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1v3s s VAL 59 CO 0.14 0.44 0.02 -0.60 0.00 0.00 0.00 175.10 175.10 1v3s s ARG 60 N 0.23 3.66 -0.10 2.72 3.52 -0.05 -1.12 118.95 127.81 1v3s s ARG 60 Ca -0.09 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.00 1v3s s ARG 60 Cb -0.14 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1v3s s ARG 60 CO 0.04 -0.01 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.98 1v3s s LEU 61 N 1.09 3.36 -0.18 -0.88 1.02 0.23 -1.62 118.68 121.70 1v3s s LEU 61 Ca 0.03 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1v3s s LEU 61 Cb -0.14 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.33 1v3s s LEU 61 CO 0.02 0.31 -0.11 -0.70 0.02 0.00 0.00 176.35 175.89 1v3s s GLU 62 N -0.49 2.08 -0.11 1.70 2.12 0.48 -1.13 118.70 123.37 1v3s s GLU 62 Ca 0.08 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.70 1v3s s GLU 62 Cb -0.12 -2.26 0.03 0.00 0.26 0.00 0.00 34.13 32.04 1v3s s GLU 62 CO 0.02 -0.35 -0.06 0.42 -0.54 0.00 0.00 175.26 174.75 1v3s s ILE 63 N 1.45 0.87 -0.15 -3.70 1.01 0.41 -1.43 121.20 119.67 1v3s s ILE 63 Ca 0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 1v3s s ILE 63 Cb -0.15 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1v3s s ILE 63 CO -0.09 0.33 0.76 -0.83 0.00 0.00 0.00 174.94 175.11 1v3s s GLY 64 N 1.77 2.23 -0.02 6.18 0.00 -1.26 -0.46 107.32 115.76 1v3s s GLY 64 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 1v3s s GLY 64 CO -0.08 1.48 0.06 0.14 0.00 0.00 0.00 173.10 174.71 1v3s s VAL 65 N 1.75 -0.00 0.25 1.40 1.01 -0.59 -4.96 120.40 119.26 1v3s s VAL 65 Ca 0.36 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1v3s s VAL 65 Cb -0.17 -0.10 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1v3s s VAL 65 CO 0.14 0.01 1.14 -0.44 0.00 0.00 0.00 175.10 175.94 1v3s s SER 66 N 0.11 7.19 0.05 3.32 0.01 -1.26 -1.04 113.70 122.08 1v3s s SER 66 Ca -0.01 2.27 -0.08 0.00 1.31 0.00 0.00 55.95 59.44 1v3s s SER 66 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1v3s s SER 66 CO -0.00 -0.24 0.47 -0.62 0.41 0.00 0.00 173.24 173.26 1v3s n GLU 67 N 1.65 -0.12 -0.26 12.44 4.71 -1.26 -0.14 120.64 137.66 1v3s n GLU 67 Ca 0.01 0.46 0.32 0.00 -0.01 0.00 0.00 57.16 57.94 1v3s n GLU 67 Cb 0.45 -0.68 0.73 0.00 -1.01 0.00 0.00 31.44 30.92 1v3s n GLU 67 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1v3s h PRO 68 N 0.00 0.02 -0.32 3.49 0.11 -2.04 -2.40 132.00 130.86 1v3s h PRO 68 Ca 0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1v3s h PRO 68 Cb 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1v3s h PRO 68 CO -0.29 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 178.70 1v3s n PHE 69 N -4.24 0.59 0.04 0.65 3.01 0.80 -4.60 117.46 113.71 1v3s n PHE 69 Ca 0.22 -0.60 -0.13 0.00 1.01 0.00 0.00 57.45 57.96 1v3s n PHE 69 Cb 1.10 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 40.38 1v3s n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v3s h VAL 70 N 1.97 1.09 -0.13 -4.37 2.07 -1.42 -2.74 116.25 112.72 1v3s h VAL 70 Ca 0.00 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1v3s h VAL 70 Cb 0.92 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1v3s h VAL 70 CO 0.06 0.13 -0.21 0.11 0.02 0.00 0.00 177.57 177.68 1v3s h LYS 71 N -0.31 -0.26 -0.69 1.57 1.79 -1.81 -0.17 116.57 116.69 1v3s h LYS 71 Ca -0.01 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1v3s h LYS 71 Cb 0.27 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1v3s h LYS 71 CO 0.01 -0.17 0.45 -1.35 -1.08 0.00 0.00 179.45 177.32 1v3s h PRO 72 N -0.27 0.90 -0.19 3.15 0.11 -1.86 0.39 132.00 134.23 1v3s h PRO 72 Ca 0.10 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1v3s h PRO 72 Cb 0.42 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1v3s h PRO 72 CO -0.29 0.59 -0.05 1.15 -0.21 0.00 0.00 178.00 179.19 1v3s h THR 73 N 0.92 1.29 -0.46 -1.15 2.02 -1.10 -1.28 112.91 113.16 1v3s h THR 73 Ca 0.25 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1v3s h THR 73 Cb -0.10 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1v3s h THR 73 CO -0.06 0.31 0.30 0.58 0.37 0.00 0.00 175.52 177.02 1v3s h VAL 74 N 0.08 1.13 -0.93 3.16 2.07 -0.67 -2.25 116.25 118.84 1v3s h VAL 74 Ca 0.05 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1v3s h VAL 74 Cb 0.50 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1v3s h VAL 74 CO 0.02 0.12 0.61 -0.33 0.02 0.00 0.00 177.57 178.01 1v3s h GLU 75 N 0.62 1.15 -0.60 1.57 5.08 -0.80 0.02 114.58 121.61 1v3s h GLU 75 Ca 0.17 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1v3s h GLU 75 Cb -0.05 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 1v3s h GLU 75 CO -0.03 0.76 0.29 0.00 -1.00 0.00 0.00 179.01 179.03 1v3s h ALA 76 N 1.45 0.77 -0.24 3.43 0.00 -0.73 -1.65 119.26 122.29 1v3s h ALA 76 Ca 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1v3s h ALA 76 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1v3s h ALA 76 CO -0.10 0.33 -0.04 0.82 0.00 0.00 0.00 179.25 180.25 1v3s h ILE 77 N 0.81 1.28 -0.48 0.00 2.04 -0.85 -2.37 117.51 117.94 1v3s h ILE 77 Ca 0.21 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 65.11 1v3s h ILE 77 Cb 0.11 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1v3s h ILE 77 CO -0.03 0.31 0.19 -0.07 0.00 0.00 0.00 178.15 178.56 1v3s h LEU 78 N 0.19 0.23 -0.43 1.44 3.38 -0.80 0.89 115.31 120.22 1v3s h LEU 78 Ca 0.06 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1v3s h LEU 78 Cb 0.49 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1v3s h LEU 78 CO 0.02 0.17 -0.01 0.11 0.09 0.00 0.00 178.44 178.82 1v3s h LYS 79 N 0.39 0.76 -0.00 1.13 1.57 -1.30 -3.03 116.57 116.09 1v3s h LYS 79 Ca 0.22 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1v3s h LYS 79 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1v3s h LYS 79 CO -0.20 0.84 -0.81 0.00 -0.57 0.00 0.00 179.45 178.71 1v3s h ALA 80 N 0.89 0.66 -0.00 3.86 0.00 -1.15 -3.31 119.26 120.21 1v3s h ALA 80 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1v3s h ALA 80 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1v3s h ALA 80 CO 0.02 0.95 -0.45 0.00 0.00 0.00 0.00 179.25 179.78 1v3s n ALA 81 N -2.41 3.44 -1.77 0.00 0.00 0.28 -4.49 120.51 115.57 1v3s n ALA 81 Ca -0.02 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 1v3s n ALA 81 Cb 0.77 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1v3s n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v3s s ARG 82 N -2.90 4.58 0.00 0.00 3.52 -1.15 -4.79 118.95 118.21 1v3s s ARG 82 Ca 0.14 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 1v3s s ARG 82 Cb 0.18 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1v3s s ARG 82 CO 0.66 0.23 0.00 0.25 -0.81 0.00 0.00 175.30 175.63 1v3s n THR 83 N 0.83 0.00 -0.17 4.11 -2.24 -1.26 -5.01 114.28 110.54 1v3s n THR 83 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1v3s n THR 83 Cb 0.48 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1v3s n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3s n GLY 84 N 1.81 0.88 3.89 3.38 0.00 -1.26 -5.06 105.19 108.83 1v3s n GLY 84 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1v3s n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3s s GLU 85 N -0.65 3.24 0.27 1.61 2.02 -1.26 -5.05 118.70 118.89 1v3s s GLU 85 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1v3s s GLU 85 Cb 0.00 -2.87 -0.12 0.00 0.10 0.00 0.00 34.13 31.25 1v3s s GLU 85 CO 0.00 0.53 1.64 0.08 0.02 0.00 0.00 175.26 177.52 1v3s s VAL 86 N -1.68 2.02 0.00 2.63 1.01 -1.26 -2.98 120.40 120.14 1v3s s VAL 86 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1v3s s VAL 86 Cb -0.11 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1v3s s VAL 86 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1v3s n GLY 87 N 2.60 1.14 0.28 4.51 0.00 -1.26 -5.00 105.19 107.45 1v3s n GLY 87 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1v3s n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v3s h ASP 88 N 0.00 0.00 -5.00 1.61 3.32 -1.89 -3.43 116.42 111.03 1v3s h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v3s h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v3s h ASP 88 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1v3s n GLY 89 N -1.14 -1.72 3.17 2.75 0.00 -1.26 -4.30 105.19 102.69 1v3s n GLY 89 Ca -0.03 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1v3s n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v3s s LYS 90 N -0.02 0.92 -0.12 1.61 1.02 -1.16 -4.98 119.74 117.01 1v3s s LYS 90 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.61 1v3s s LYS 90 Cb 0.00 0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 1v3s s LYS 90 CO 0.00 -0.27 -0.11 0.42 -0.92 0.00 0.00 175.35 174.48 1v3s s ILE 91 N -4.02 1.25 -0.09 2.17 1.01 -1.26 -1.23 121.20 119.02 1v3s s ILE 91 Ca 0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 1v3s s ILE 91 Cb 0.07 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1v3s s ILE 91 CO 0.00 0.40 -0.01 -0.36 0.00 0.00 0.00 174.94 174.97 1v3s s PHE 92 N 1.44 3.12 -0.27 3.97 0.40 0.11 -4.95 117.98 121.80 1v3s s PHE 92 Ca 0.01 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1v3s s PHE 92 Cb -0.13 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.63 1v3s s PHE 92 CO -0.07 0.38 -0.06 0.08 0.70 0.00 0.00 175.22 176.26 1v3s s VAL 93 N -0.68 2.73 0.02 -0.44 1.01 -1.26 -0.46 120.40 121.32 1v3s s VAL 93 Ca 0.11 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1v3s s VAL 93 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1v3s s VAL 93 CO 0.02 0.05 0.05 -0.76 0.00 0.00 0.00 175.10 174.46 1v3s s LEU 94 N 1.25 3.71 0.56 3.92 1.02 0.22 -4.93 118.68 124.43 1v3s s LEU 94 Ca -0.04 0.04 -0.16 0.00 0.02 0.00 0.00 54.13 53.99 1v3s s LEU 94 Cb -0.18 -2.22 -0.05 0.00 0.02 0.00 0.00 46.19 43.76 1v3s s LEU 94 CO -0.04 0.25 1.03 -2.16 0.02 0.00 0.00 176.35 175.46 1v3s s PRO 95 N -1.84 3.54 -0.10 1.29 0.04 -1.26 -0.31 135.00 136.36 1v3s s PRO 95 Ca 0.23 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.44 1v3s s PRO 95 Cb -0.12 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1v3s s PRO 95 CO 0.15 -0.62 -0.14 0.08 0.04 0.00 0.00 177.00 176.51 1v3s s VAL 96 N -2.46 1.35 -0.03 -0.36 1.01 -1.15 -4.71 120.40 114.05 1v3s s VAL 96 Ca 0.63 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 1v3s s VAL 96 Cb -0.14 -1.25 -0.20 0.00 0.00 0.00 0.00 36.38 34.79 1v3s s VAL 96 CO 0.34 0.41 1.18 -0.08 0.00 0.00 0.00 175.10 176.95 1v3s h GLU 97 N 7.43 -0.06 -3.38 2.72 4.57 -1.97 -3.40 114.58 120.48 1v3s h GLU 97 Ca -0.31 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.75 1v3s h GLU 97 Cb 1.17 0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 29.59 1v3s h GLU 97 CO 0.48 0.44 -0.38 0.15 -1.18 0.00 0.00 179.01 178.52 1v3s s LYS 98 N -4.04 0.64 -0.02 1.92 1.02 -1.26 -4.96 119.74 113.04 1v3s s LYS 98 Ca -0.16 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.42 1v3s s LYS 98 Cb 0.01 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1v3s s LYS 98 CO 0.64 -0.18 -0.08 0.08 -0.92 0.00 0.00 175.35 174.89 1v3s s VAL 99 N -1.91 0.67 0.01 3.17 1.01 -1.26 -5.00 120.40 117.08 1v3s s VAL 99 Ca -0.10 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1v3s s VAL 99 Cb -0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1v3s s VAL 99 CO -0.00 0.21 -0.18 -0.31 0.00 0.00 0.00 175.10 174.82 1v3s s TYR 100 N 0.11 1.56 -0.34 5.22 1.51 -1.26 0.42 117.35 124.57 1v3s s TYR 100 Ca -0.01 -0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 55.56 1v3s s TYR 100 Cb -0.07 -0.97 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1v3s s TYR 100 CO 0.00 0.01 0.47 0.50 -1.11 0.00 0.00 175.55 175.42 1v3s s ARG 101 N -0.68 3.64 0.37 -0.62 3.52 -0.43 -4.93 118.95 119.83 1v3s s ARG 101 Ca 0.06 -0.19 0.09 0.00 -0.13 0.00 0.00 55.73 55.55 1v3s s ARG 101 Cb -0.07 -3.79 0.74 0.00 -1.56 0.00 0.00 34.95 30.26 1v3s s ARG 101 CO 0.00 -0.59 1.90 0.82 -0.81 0.00 0.00 175.30 176.62 1v3s h ILE 102 N 5.58 1.19 -0.96 4.11 2.04 -1.92 0.61 117.51 128.15 1v3s h ILE 102 Ca -0.28 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1v3s h ILE 102 Cb 1.13 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 1v3s h ILE 102 CO 0.75 0.26 0.63 -0.09 0.00 0.00 0.00 178.15 179.70 1v3s h ARG 103 N 0.26 1.23 0.00 2.37 2.43 -1.98 -3.27 114.38 115.42 1v3s h ARG 103 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1v3s h ARG 103 Cb 0.40 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1v3s h ARG 103 CO 0.02 0.81 -0.88 0.25 -1.51 0.00 0.00 179.97 178.67 1v3s n THR 104 N -4.41 0.00 -0.18 0.20 -2.24 -1.17 -5.01 114.28 101.47 1v3s n THR 104 Ca 0.12 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1v3s n THR 104 Cb 0.04 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1v3s n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3s n GLY 105 N 1.76 1.70 3.77 3.38 0.00 0.21 -5.02 105.19 110.98 1v3s n GLY 105 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1v3s n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v3s s GLU 106 N -0.33 4.16 -0.15 1.61 -1.05 -1.21 -4.66 118.70 117.07 1v3s s GLU 106 Ca 0.00 2.40 -0.29 0.00 -0.15 0.00 0.00 54.97 56.92 1v3s s GLU 106 Cb 0.00 -2.97 -0.01 0.00 -0.44 0.00 0.00 34.13 30.72 1v3s s GLU 106 CO 0.00 -0.42 1.08 -2.00 0.95 0.00 0.00 175.26 174.86 1v3s s GLU 107 N -2.02 4.33 0.00 -4.83 2.56 -1.26 -1.32 118.70 116.16 1v3s s GLU 107 Ca 0.52 1.45 0.00 0.00 0.00 0.00 0.00 54.97 56.94 1v3s s GLU 107 Cb -0.43 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.09 1v3s s GLU 107 CO 0.58 -0.50 0.00 -3.47 -0.56 0.00 0.00 175.26 171.31