#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksv h ALA 2 N 0.00 0.95 0.27 3.17 0.00 -1.94 -2.98 119.26 118.72 3ksv h ALA 2 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ksv h ALA 2 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ksv h ALA 2 CO 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 179.25 179.77 3ksv h ALA 3 N 1.48 -0.36 -0.61 0.00 0.00 -2.03 -2.99 119.26 114.76 3ksv h ALA 3 Ca -0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 3ksv h ALA 3 Cb 1.04 0.14 -0.19 0.00 0.00 0.00 0.00 17.79 18.78 3ksv h ALA 3 CO 0.07 -0.70 0.42 0.09 0.00 0.00 0.00 179.25 179.13 3ksv n ASN 4 N -5.24 4.00 -4.36 0.00 3.02 -1.24 -4.86 115.26 106.57 3ksv n ASN 4 Ca -0.10 -3.02 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 3ksv n ASN 4 Cb 0.16 -0.76 -0.11 0.00 -0.61 0.00 0.00 39.78 38.47 3ksv n ASN 4 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ksv h ILE 6 N 5.90 0.66 0.02 0.00 3.07 -1.89 -1.65 117.51 123.61 3ksv h ILE 6 Ca -0.25 0.00 -0.24 0.00 1.55 0.00 0.00 64.86 65.92 3ksv h ILE 6 Cb 1.10 0.90 0.01 0.00 -0.27 0.00 0.00 36.82 38.56 3ksv h ILE 6 CO 0.70 0.00 -1.00 -0.26 -1.05 0.00 0.00 178.15 176.54 3ksv h PHE 7 N 0.00 0.67 -0.68 0.16 0.04 -1.95 -1.73 116.94 113.45 3ksv h PHE 7 Ca 0.07 -0.38 -0.01 0.00 2.80 0.00 0.00 57.97 60.45 3ksv h PHE 7 Cb 0.33 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3ksv h PHE 7 CO 0.00 1.21 0.38 0.00 -0.60 0.00 0.00 178.31 179.30 3ksv h LYS 9 N 0.94 0.60 -0.35 0.00 1.57 -1.10 -1.07 116.57 117.16 3ksv h LYS 9 Ca 0.24 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ksv h LYS 9 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3ksv h LYS 9 CO -0.04 0.54 0.23 0.82 -0.57 0.00 0.00 179.45 180.43 3ksv h ILE 10 N 0.51 1.09 -0.82 1.86 2.04 -1.08 0.76 117.51 121.88 3ksv h ILE 10 Ca 0.14 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3ksv h ILE 10 Cb 0.16 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3ksv h ILE 10 CO -0.01 0.09 0.35 0.40 0.00 0.00 0.00 178.15 178.97 3ksv h ILE 11 N 0.47 1.26 -0.00 -0.67 2.04 -0.49 -2.32 117.51 117.80 3ksv h ILE 11 Ca 0.13 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3ksv h ILE 11 Cb -0.05 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3ksv h ILE 11 CO -0.03 0.33 -0.18 0.29 0.00 0.00 0.00 178.15 178.56 3ksv n LYS 12 N -4.30 0.14 -0.38 2.37 4.01 -0.44 -4.94 118.16 114.62 3ksv n LYS 12 Ca 0.08 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3ksv n LYS 12 Cb 0.17 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 3ksv n LYS 12 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ksv n GLY 13 N 1.45 0.80 0.17 0.72 0.00 -0.87 -4.98 105.19 102.47 3ksv n GLY 13 Ca 0.08 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.03 3ksv n GLY 13 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ksv h ASP 14 N 0.00 0.00 -3.52 1.61 3.32 -1.10 -3.43 116.42 113.31 3ksv h ASP 14 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3ksv h ASP 14 Cb 0.00 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.22 3ksv h ASP 14 CO 0.00 0.38 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.45 3ksv s ILE 15 N -3.13 1.20 0.47 0.35 1.01 -1.13 -4.98 121.20 114.98 3ksv s ILE 15 Ca 0.04 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 3ksv s ILE 15 Cb 0.08 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 3ksv s ILE 15 CO 0.71 0.37 0.98 -2.16 0.00 0.00 0.00 174.94 174.84 3ksv s PRO 16 N 0.52 4.04 -0.29 2.79 0.04 -1.26 -4.29 135.00 136.55 3ksv s PRO 16 Ca -0.12 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 3ksv s PRO 16 Cb -0.15 -2.15 0.14 0.00 0.04 0.00 0.00 34.50 32.39 3ksv s PRO 16 CO 0.04 -0.20 0.97 0.00 0.04 0.00 0.00 177.00 177.84 3ksv s ALA 18 N 1.20 3.63 -0.32 0.00 0.00 -1.26 -4.95 121.76 120.06 3ksv s ALA 18 Ca -0.07 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 3ksv s ALA 18 Cb -0.04 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.35 3ksv s ALA 18 CO -0.14 -1.34 0.92 0.21 0.00 0.00 0.00 175.76 175.41 3ksv s LYS 19 N 3.70 3.98 0.13 0.00 2.20 -1.26 -4.33 119.74 124.16 3ksv s LYS 19 Ca 0.76 0.76 0.08 0.00 -0.36 0.00 0.00 55.97 57.21 3ksv s LYS 19 Cb -0.36 -3.75 -0.18 0.00 -1.51 0.00 0.00 37.83 32.03 3ksv s LYS 19 CO 0.32 -0.81 1.26 0.28 -0.36 0.00 0.00 175.35 176.04 3ksv h VAL 20 N 5.68 1.55 -2.06 4.02 2.07 -0.92 -3.48 116.25 123.12 3ksv h VAL 20 Ca -0.23 -3.23 0.11 0.00 0.82 0.00 0.00 66.70 64.17 3ksv h VAL 20 Cb 1.08 2.76 -0.17 0.00 -1.52 0.00 0.00 31.29 33.44 3ksv h VAL 20 CO 0.95 0.88 0.52 0.00 0.02 0.00 0.00 177.57 179.95 3ksv s ALA 21 N -2.73 -1.86 -0.14 1.67 0.00 -1.15 -4.96 121.76 112.59 3ksv s ALA 21 Ca 0.01 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 3ksv s ALA 21 Cb 0.10 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3ksv s ALA 21 CO 0.81 -0.59 0.34 -2.00 0.00 0.00 0.00 175.76 174.33 3ksv s GLU 22 N -2.56 0.33 0.33 0.00 2.12 -1.26 -1.20 118.70 116.46 3ksv s GLU 22 Ca 0.03 0.64 0.01 0.00 0.36 0.00 0.00 54.97 56.01 3ksv s GLU 22 Cb -0.01 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.36 3ksv s GLU 22 CO -0.06 -0.14 0.04 0.25 -0.54 0.00 0.00 175.26 174.81 3ksv n THR 23 N 3.98 0.00 -0.31 -1.70 -2.24 -0.39 -5.02 114.28 108.60 3ksv n THR 23 Ca -0.22 -1.69 -0.01 0.00 -2.27 0.00 0.00 64.05 59.86 3ksv n THR 23 Cb 0.55 0.44 0.12 0.00 -2.10 0.00 0.00 70.33 69.34 3ksv n THR 23 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ksv h SER 24 N 0.97 0.87 -0.01 3.42 4.64 -2.02 -3.29 113.55 118.14 3ksv h SER 24 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3ksv h SER 24 Cb 0.89 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3ksv h SER 24 CO 0.44 0.58 -0.06 0.29 -0.87 0.00 0.00 176.83 177.21 3ksv n LYS 25 N -4.59 0.94 -3.90 4.77 4.76 -1.26 -4.95 118.16 113.94 3ksv n LYS 25 Ca 0.11 -0.88 -0.09 0.00 -2.87 0.00 0.00 58.31 54.58 3ksv n LYS 25 Cb 0.13 -1.13 -0.08 0.00 -1.84 0.00 0.00 35.03 32.11 3ksv n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ksv s ALA 26 N -0.94 -0.12 0.03 7.82 0.00 -1.24 -0.80 121.76 126.51 3ksv s ALA 26 Ca 0.10 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3ksv s ALA 26 Cb 0.07 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3ksv s ALA 26 CO 0.15 -0.45 -0.07 -1.17 0.00 0.00 0.00 175.76 174.22 3ksv s LEU 27 N -2.71 2.21 0.03 0.00 2.96 0.09 -1.26 118.68 120.01 3ksv s LEU 27 Ca 0.03 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3ksv s LEU 27 Cb 0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 3ksv s LEU 27 CO -0.09 -0.17 -0.21 0.00 -1.32 0.00 0.00 176.35 174.56 3ksv s ALA 28 N -1.17 1.74 0.32 5.97 0.00 -0.34 -0.67 121.76 127.60 3ksv s ALA 28 Ca -0.08 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 3ksv s ALA 28 Cb -0.09 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.71 3ksv s ALA 28 CO 0.00 0.39 0.67 -0.59 0.00 0.00 0.00 175.76 176.23 3ksv s PHE 29 N -0.75 0.16 0.46 0.00 -0.12 -0.85 -0.16 117.98 116.72 3ksv s PHE 29 Ca 0.07 -0.65 -0.20 0.00 -0.05 0.00 0.00 56.93 56.10 3ksv s PHE 29 Cb -0.09 0.56 -0.10 0.00 -0.63 0.00 0.00 43.02 42.77 3ksv s PHE 29 CO 0.01 -1.29 0.97 -1.64 -0.05 0.00 0.00 175.22 173.22 3ksv s MET 30 N -3.30 4.10 -0.20 1.99 -1.94 -1.26 -0.73 119.30 117.95 3ksv s MET 30 Ca 0.17 1.13 -0.21 0.00 -1.71 0.00 0.00 55.69 55.07 3ksv s MET 30 Cb -0.04 -2.16 -0.02 0.00 2.01 0.00 0.00 34.83 34.62 3ksv s MET 30 CO 0.10 -0.15 0.65 0.34 -0.01 0.00 0.00 175.02 175.96 3ksv s ASP 31 N -2.32 6.70 0.00 3.03 -1.08 -0.56 -4.76 116.67 117.68 3ksv s ASP 31 Ca 0.62 0.85 0.29 0.00 -0.52 0.00 0.00 52.55 53.80 3ksv s ASP 31 Cb -0.10 -2.36 1.38 0.00 -1.46 0.00 0.00 42.92 40.38 3ksv s ASP 31 CO 0.18 -0.29 1.95 2.30 0.52 0.00 0.00 175.17 179.82 3ksv n ILE 32 N 4.74 0.00 -3.15 4.11 -5.35 -1.26 -3.68 119.36 114.77 3ksv n ILE 32 Ca -0.01 -0.05 -0.26 0.00 -0.27 0.00 0.00 62.75 62.16 3ksv n ILE 32 Cb 0.50 -0.20 -0.05 0.00 -1.74 0.00 0.00 39.64 38.14 3ksv n ILE 32 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3ksv n ASN 33 N -0.96 3.48 -4.80 7.28 5.03 -1.26 -5.12 115.26 118.91 3ksv n ASN 33 Ca 0.16 -3.45 -0.33 0.00 0.87 0.00 0.00 54.58 51.83 3ksv n ASN 33 Cb 0.25 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3ksv n ASN 33 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3ksv s PRO 34 N -2.84 3.44 0.20 3.52 0.04 -1.24 -4.97 135.00 133.15 3ksv s PRO 34 Ca 0.44 1.21 0.23 0.00 0.04 0.00 0.00 61.00 62.92 3ksv s PRO 34 Cb 0.24 -2.05 0.25 0.00 0.04 0.00 0.00 34.50 32.97 3ksv s PRO 34 CO -0.09 -0.71 1.29 -0.07 0.04 0.00 0.00 177.00 177.46 3ksv h LEU 35 N 0.64 0.00 -7.19 -3.56 3.38 -1.93 -3.48 115.31 103.17 3ksv h LEU 35 Ca -0.47 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3ksv h LEU 35 Cb 1.22 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 3ksv h LEU 35 CO 0.58 0.04 0.15 -0.94 0.09 0.00 0.00 178.44 178.36 3ksv s SER 36 N -4.96 -0.46 0.12 -0.43 1.04 -1.26 -2.34 113.70 105.40 3ksv s SER 36 Ca 0.04 -0.13 -0.31 0.00 0.48 0.00 0.00 55.95 56.03 3ksv s SER 36 Cb 0.11 0.58 -0.09 0.00 0.10 0.00 0.00 66.02 66.72 3ksv s SER 36 CO 0.73 -0.98 1.65 -0.60 0.98 0.00 0.00 173.24 175.02 3ksv s ARG 37 N -3.78 4.19 0.00 4.02 6.06 -1.26 -2.72 118.95 125.46 3ksv s ARG 37 Ca 0.03 2.39 0.00 0.00 -2.50 0.00 0.00 55.73 55.65 3ksv s ARG 37 Cb -0.01 -3.39 0.00 0.00 0.06 0.00 0.00 34.95 31.61 3ksv s ARG 37 CO -0.11 -0.70 0.00 0.41 -2.50 0.00 0.00 175.30 172.40 3ksv n GLY 38 N 3.93 0.73 3.68 8.12 0.00 -1.26 -4.66 105.19 115.73 3ksv n GLY 38 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3ksv n GLY 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ksv n HIS 39 N -2.13 2.51 -4.38 1.61 -0.00 -1.10 -4.69 115.22 107.03 3ksv n HIS 39 Ca 0.00 -0.12 -0.19 0.00 -0.00 0.00 0.00 57.72 57.41 3ksv n HIS 39 Cb 0.00 -2.71 -0.10 0.00 -0.00 0.00 0.00 29.99 27.17 3ksv n HIS 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ksv s MET 40 N 3.13 1.54 0.00 1.57 0.23 -0.68 -1.50 119.30 123.59 3ksv s MET 40 Ca 0.85 -1.85 0.05 0.00 -1.03 0.00 0.00 55.69 53.71 3ksv s MET 40 Cb -0.53 -0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 32.23 3ksv s MET 40 CO 0.41 -0.27 -0.15 -0.51 -2.03 0.00 0.00 175.02 172.47 3ksv s LEU 41 N -3.40 2.07 -0.14 0.18 1.43 0.09 -0.60 118.68 118.31 3ksv s LEU 41 Ca 0.37 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3ksv s LEU 41 Cb 0.08 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.57 3ksv s LEU 41 CO 0.15 0.15 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 3ksv s VAL 42 N -0.49 1.59 0.08 -1.59 1.01 -0.09 -2.01 120.40 118.90 3ksv s VAL 42 Ca 0.05 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3ksv s VAL 42 Cb -0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3ksv s VAL 42 CO 0.00 0.46 -0.18 0.27 0.00 0.00 0.00 175.10 175.65 3ksv s ILE 43 N 1.27 1.47 0.47 2.22 -4.36 0.16 -1.03 121.20 121.39 3ksv s ILE 43 Ca 0.00 -1.39 -0.22 0.00 -0.26 0.00 0.00 60.65 58.79 3ksv s ILE 43 Cb -0.14 -1.35 -0.08 0.00 1.25 0.00 0.00 42.46 42.15 3ksv s ILE 43 CO -0.07 -0.08 1.08 -2.16 0.24 0.00 0.00 174.94 173.95 3ksv s PRO 44 N -1.72 3.81 0.29 0.37 0.04 -1.26 -0.73 135.00 135.80 3ksv s PRO 44 Ca 0.03 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.63 3ksv s PRO 44 Cb -0.10 -2.27 0.45 0.00 0.04 0.00 0.00 34.50 32.62 3ksv s PRO 44 CO 0.03 -0.45 1.78 0.87 0.04 0.00 0.00 177.00 179.27 3ksv h LYS 45 N 1.85 0.58 -6.85 4.56 1.57 -1.28 -3.44 116.57 113.56 3ksv h LYS 45 Ca -0.49 -0.17 -0.53 0.00 -1.87 0.00 0.00 60.65 57.59 3ksv h LYS 45 Cb 1.23 -0.06 0.07 0.00 0.08 0.00 0.00 32.23 33.56 3ksv h LYS 45 CO 0.60 0.68 0.73 -2.00 -0.57 0.00 0.00 179.45 178.89 3ksv s GLU 46 N -4.77 4.26 -1.10 3.15 2.12 -1.26 -4.92 118.70 116.18 3ksv s GLU 46 Ca -0.08 2.35 -0.22 0.00 0.36 0.00 0.00 54.97 57.38 3ksv s GLU 46 Cb 0.14 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.51 3ksv s GLU 46 CO 0.79 -0.37 1.64 -1.58 -0.54 0.00 0.00 175.26 175.20 3ksv s HIS 47 N -0.69 2.45 -0.22 5.30 5.65 -1.26 -4.86 115.29 121.66 3ksv s HIS 47 Ca 0.54 -0.74 -0.08 0.00 0.25 0.00 0.00 55.06 55.03 3ksv s HIS 47 Cb -0.42 -4.56 -0.04 0.00 -1.18 0.00 0.00 32.58 26.37 3ksv s HIS 47 CO 0.52 -1.81 0.10 0.00 -0.65 0.00 0.00 174.74 172.89 3ksv s ALA 48 N 6.01 3.42 0.18 1.58 0.00 -1.26 -5.01 121.76 126.68 3ksv s ALA 48 Ca 0.54 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3ksv s ALA 48 Cb 0.00 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.11 3ksv s ALA 48 CO -0.02 -0.09 1.45 1.03 0.00 0.00 0.00 175.76 178.13 3ksv h SER 49 N 7.30 0.46 -4.13 0.00 0.87 -1.93 0.84 113.55 116.96 3ksv h SER 49 Ca -0.37 -0.30 -0.31 0.00 -1.23 0.00 0.00 61.79 59.58 3ksv h SER 49 Cb 1.17 -0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 62.85 3ksv h SER 49 CO 0.66 1.03 -0.69 0.00 -0.53 0.00 0.00 176.83 177.29 3ksv h LEU 51 N 2.75 0.26 0.00 0.00 5.85 -1.91 -1.05 115.31 121.21 3ksv h LEU 51 Ca -0.37 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3ksv h LEU 51 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3ksv h LEU 51 CO 0.64 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 179.06 3ksv n HIS 52 N -4.36 0.00 1.11 1.25 1.44 -1.26 -1.85 115.22 111.54 3ksv n HIS 52 Ca -0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 3ksv n HIS 52 Cb 0.19 -0.46 0.16 0.00 0.12 0.00 0.00 29.99 30.00 3ksv n HIS 52 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3ksv n GLU 53 N -1.46 1.06 -2.68 -1.40 1.02 -0.40 -4.96 120.64 111.82 3ksv n GLU 53 Ca 0.05 -0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 56.00 3ksv n GLU 53 Cb 0.18 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 3ksv n GLU 53 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ksv s LEU 54 N -2.49 4.61 0.61 -4.62 2.96 -0.77 -4.91 118.68 114.08 3ksv s LEU 54 Ca 0.21 2.03 -0.17 0.00 -0.22 0.00 0.00 54.13 55.98 3ksv s LEU 54 Cb 0.19 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 3ksv s LEU 54 CO 0.55 0.07 1.14 -0.83 -1.32 0.00 0.00 176.35 175.96 3ksv s GLY 55 N -1.11 2.43 0.22 7.98 0.00 -1.26 -4.85 107.32 110.72 3ksv s GLY 55 Ca 0.42 0.74 -0.08 0.00 0.00 0.00 0.00 44.72 45.81 3ksv s GLY 55 CO 0.34 1.11 1.83 -0.33 0.00 0.00 0.00 173.10 176.05 3ksv h MET 56 N 0.54 1.18 -0.55 2.90 2.86 -1.98 0.11 114.93 119.99 3ksv h MET 56 Ca -0.49 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 56.92 3ksv h MET 56 Cb 1.26 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 3ksv h MET 56 CO 0.55 0.89 0.01 0.93 1.06 0.00 0.00 176.91 180.35 3ksv h GLU 57 N 1.18 0.93 -0.12 1.72 3.07 -2.00 -1.60 114.58 117.76 3ksv h GLU 57 Ca 0.29 -0.27 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3ksv h GLU 57 Cb 0.07 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3ksv h GLU 57 CO -0.04 0.91 -0.32 -0.44 -1.40 0.00 0.00 179.01 177.72 3ksv h ASP 58 N 0.86 0.23 -0.39 1.42 5.19 -1.82 -2.50 116.42 119.40 3ksv h ASP 58 Ca 0.16 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.36 3ksv h ASP 58 Cb 0.49 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 3ksv h ASP 58 CO 0.02 0.55 -0.25 0.00 -3.12 0.00 0.00 179.24 176.44 3ksv h ALA 59 N 1.47 0.56 -0.33 3.45 0.00 -0.31 -0.97 119.26 123.13 3ksv h ALA 59 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ksv h ALA 59 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ksv h ALA 59 CO 0.05 0.56 0.17 0.00 0.00 0.00 0.00 179.25 180.04 3ksv h ALA 60 N 0.80 0.42 -0.62 0.00 0.00 -1.12 -0.43 119.26 118.31 3ksv h ALA 60 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3ksv h ALA 60 Cb 0.83 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ksv h ALA 60 CO 0.07 -0.05 0.02 0.22 0.00 0.00 0.00 179.25 179.51 3ksv h ASP 61 N 0.40 1.06 -0.48 0.00 3.58 -1.43 -2.12 116.42 117.43 3ksv h ASP 61 Ca 0.11 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 3ksv h ASP 61 Cb 0.07 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3ksv h ASP 61 CO -0.02 1.10 -0.17 0.58 -2.88 0.00 0.00 179.24 177.85 3ksv h VAL 62 N 0.98 1.27 -0.75 2.25 2.07 -1.06 -1.21 116.25 119.80 3ksv h VAL 62 Ca 0.18 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.41 3ksv h VAL 62 Cb 0.55 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3ksv h VAL 62 CO 0.03 0.46 0.47 1.23 0.02 0.00 0.00 177.57 179.78 3ksv h GLY 63 N 0.82 1.09 0.76 2.17 0.00 -0.92 0.13 103.07 107.12 3ksv h GLY 63 Ca 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3ksv h GLY 63 CO 0.06 0.28 -0.01 -2.08 0.00 0.00 0.00 176.54 174.79 3ksv h VAL 64 N 0.90 1.26 -0.60 4.60 2.07 -1.29 -2.10 116.25 121.09 3ksv h VAL 64 Ca 0.31 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3ksv h VAL 64 Cb 0.05 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3ksv h VAL 64 CO -0.12 0.25 0.27 0.25 0.02 0.00 0.00 177.57 178.23 3ksv h LEU 65 N -0.06 0.78 -0.53 2.57 5.85 -1.04 -1.63 115.31 121.25 3ksv h LEU 65 Ca 0.03 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3ksv h LEU 65 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3ksv h LEU 65 CO 0.01 0.68 0.34 0.25 -0.34 0.00 0.00 178.44 179.38 3ksv h LEU 66 N 0.86 0.63 -0.66 2.25 5.85 -0.64 0.11 115.31 123.69 3ksv h LEU 66 Ca 0.21 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3ksv h LEU 66 Cb 0.12 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3ksv h LEU 66 CO -0.02 0.47 0.21 0.00 -0.34 0.00 0.00 178.44 178.76 3ksv h ALA 67 N 1.18 0.86 -0.25 1.25 0.00 -1.10 0.02 119.26 121.23 3ksv h ALA 67 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ksv h ALA 67 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ksv h ALA 67 CO -0.04 0.53 0.04 0.87 0.00 0.00 0.00 179.25 180.66 3ksv h LYS 68 N 0.95 0.41 -0.82 0.00 1.57 -1.07 -2.73 116.57 114.88 3ksv h LYS 68 Ca 0.21 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3ksv h LYS 68 Cb 0.29 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3ksv h LYS 68 CO -0.01 0.53 0.52 0.00 -0.57 0.00 0.00 179.45 179.92 3ksv h ALA 69 N 0.86 1.07 -0.50 3.86 0.00 -0.83 -1.97 119.26 121.76 3ksv h ALA 69 Ca 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ksv h ALA 69 Cb 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ksv h ALA 69 CO 0.00 0.35 0.33 0.66 0.00 0.00 0.00 179.25 180.59 3ksv h SER 70 N 1.02 0.44 -0.24 0.00 4.64 -0.84 0.29 113.55 118.84 3ksv h SER 70 Ca 0.33 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.51 3ksv h SER 70 Cb 0.01 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3ksv h SER 70 CO -0.11 0.29 -0.31 0.03 -0.87 0.00 0.00 176.83 175.86 3ksv h ARG 71 N 0.50 0.75 -0.34 4.77 3.08 -1.06 0.13 114.38 122.22 3ksv h ARG 71 Ca 0.21 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3ksv h ARG 71 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3ksv h ARG 71 CO -0.06 0.96 0.18 0.00 -1.07 0.00 0.00 179.97 179.98 3ksv h ALA 72 N 1.02 0.43 -0.06 0.04 0.00 -0.86 -3.03 119.26 116.80 3ksv h ALA 72 Ca 0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3ksv h ALA 72 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ksv h ALA 72 CO 0.07 -0.03 -0.51 0.28 0.00 0.00 0.00 179.25 179.06 3ksv h VAL 73 N 0.42 1.36 0.00 0.00 2.07 -0.73 -2.64 116.25 116.72 3ksv h VAL 73 Ca 0.12 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 3ksv h VAL 73 Cb 0.08 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3ksv h VAL 73 CO -0.02 0.52 -0.06 0.00 0.02 0.00 0.00 177.57 178.03 3ksv h ALA 74 N 1.35 1.09 0.00 1.67 0.00 -0.63 -3.43 119.26 119.31 3ksv h ALA 74 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ksv h ALA 74 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ksv h ALA 74 CO 0.07 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3ksv n GLY 75 N -0.40 -0.04 0.33 0.00 0.00 -1.00 -1.39 105.19 102.69 3ksv n GLY 75 Ca -0.01 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.14 3ksv n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ksv h PRO 76 N 0.00 0.62 -0.18 1.61 0.11 -1.88 -2.59 132.00 129.69 3ksv h PRO 76 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3ksv h PRO 76 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 3ksv h PRO 76 CO 0.00 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 177.80 3ksv n ASP 77 N -4.47 2.74 -0.35 -2.05 5.75 -1.26 -4.99 116.55 111.92 3ksv n ASP 77 Ca 0.06 -1.80 -0.05 0.00 -0.01 0.00 0.00 54.79 52.99 3ksv n ASP 77 Cb 0.11 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 3ksv n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ksv n GLY 78 N 0.99 0.73 0.26 6.12 0.00 -0.98 -4.92 105.19 107.40 3ksv n GLY 78 Ca 0.12 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3ksv n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ksv n SER 79 N 0.88 1.15 -4.69 1.61 3.41 -0.93 -4.88 113.62 110.17 3ksv n SER 79 Ca -0.05 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 3ksv n SER 79 Cb 0.17 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3ksv n SER 79 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3ksv s MET 80 N -2.55 4.40 0.49 4.33 1.75 -0.49 -5.03 119.30 122.20 3ksv s MET 80 Ca 0.22 1.20 -0.08 0.00 -1.25 0.00 0.00 55.69 55.78 3ksv s MET 80 Cb 0.19 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 3ksv s MET 80 CO 0.55 -0.24 0.83 -0.65 -0.65 0.00 0.00 175.02 174.87 3ksv s GLN 81 N 1.77 3.62 -0.01 4.11 -0.21 -1.26 -4.48 119.66 123.20 3ksv s GLN 81 Ca 0.44 0.38 -0.29 0.00 0.02 0.00 0.00 55.36 55.92 3ksv s GLN 81 Cb -0.18 -2.32 0.10 0.00 1.00 0.00 0.00 33.01 31.62 3ksv s GLN 81 CO 0.17 -0.24 0.87 1.52 -2.12 0.00 0.00 175.29 175.50 3ksv s TYR 82 N -2.74 -0.37 -0.03 0.91 -0.85 -1.26 -0.65 117.35 112.35 3ksv s TYR 82 Ca 0.50 0.30 0.05 0.00 -0.52 0.00 0.00 57.07 57.40 3ksv s TYR 82 Cb -0.10 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3ksv s TYR 82 CO 0.43 -0.55 -0.17 -0.80 -1.52 0.00 0.00 175.55 172.94 3ksv s ASN 83 N -2.30 3.79 -0.20 -0.18 -0.87 -0.10 -4.91 114.94 110.18 3ksv s ASN 83 Ca 0.03 -0.28 -0.06 0.00 -1.57 0.00 0.00 52.86 50.98 3ksv s ASN 83 Cb -0.01 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.25 40.48 3ksv s ASN 83 CO -0.07 0.33 0.02 -0.69 -2.57 0.00 0.00 177.10 174.11 3ksv s VAL 84 N -0.73 4.19 -0.03 1.60 1.01 -1.26 -0.32 120.40 124.86 3ksv s VAL 84 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3ksv s VAL 84 Cb -0.10 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3ksv s VAL 84 CO 0.01 0.43 -0.01 -0.22 0.00 0.00 0.00 175.10 175.31 3ksv s LEU 85 N 0.83 1.31 -0.04 3.92 2.96 -0.61 -4.98 118.68 122.07 3ksv s LEU 85 Ca 0.01 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3ksv s LEU 85 Cb -0.14 -0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.36 3ksv s LEU 85 CO 0.02 -0.08 0.04 -1.58 -1.32 0.00 0.00 176.35 173.43 3ksv s GLN 86 N 0.84 0.05 -0.08 1.98 -0.44 -1.26 -0.47 119.66 120.28 3ksv s GLN 86 Ca -0.09 0.27 -0.02 0.00 -2.50 0.00 0.00 55.36 53.03 3ksv s GLN 86 Cb -0.12 -0.50 -0.03 0.00 -1.64 0.00 0.00 33.01 30.72 3ksv s GLN 86 CO -0.01 -0.27 0.00 -0.80 0.50 0.00 0.00 175.29 174.71 3ksv s ASN 87 N 1.77 5.26 -0.36 6.67 0.01 -1.26 -5.08 114.94 121.95 3ksv s ASN 87 Ca 0.00 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 3ksv s ASN 87 Cb -0.12 -1.48 0.12 0.00 0.41 0.00 0.00 41.25 40.18 3ksv s ASN 87 CO -0.03 0.38 0.18 0.20 -1.51 0.00 0.00 177.10 176.31 3ksv s ASN 88 N -0.90 3.59 0.00 -1.22 0.01 -1.26 -4.71 114.94 110.45 3ksv s ASN 88 Ca 0.13 -2.09 0.00 0.00 -0.71 0.00 0.00 52.86 50.20 3ksv s ASN 88 Cb -0.11 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.79 3ksv s ASN 88 CO 0.02 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.88 3ksv n GLY 89 N 4.23 2.79 0.22 0.66 0.00 -1.26 -4.55 105.19 107.28 3ksv n GLY 89 Ca 0.05 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.50 3ksv n GLY 89 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ksv h SER 90 N 0.00 0.00 0.45 1.61 4.64 -1.94 0.98 113.55 119.28 3ksv h SER 90 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3ksv h SER 90 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3ksv h SER 90 CO 0.00 0.26 -0.35 0.25 -0.87 0.00 0.00 176.83 176.13 3ksv h LEU 91 N 0.00 0.00 -2.12 5.97 5.85 -1.90 -2.44 115.31 120.66 3ksv h LEU 91 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ksv h LEU 91 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3ksv h LEU 91 CO 0.03 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 3ksv n ALA 92 N -2.42 2.99 -1.18 1.25 0.00 0.21 -4.88 120.51 116.47 3ksv n ALA 92 Ca -0.02 -0.96 -0.06 0.00 0.00 0.00 0.00 53.44 52.40 3ksv n ALA 92 Cb 0.41 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3ksv n ALA 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ksv n HIS 93 N 0.48 0.00 -2.76 0.00 8.25 -0.92 -4.48 115.22 115.79 3ksv n HIS 93 Ca 0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 3ksv n HIS 93 Cb 0.63 -1.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.30 3ksv n HIS 93 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3ksv s GLN 94 N -2.46 4.51 -0.09 -0.41 0.74 -0.43 -4.95 119.66 116.57 3ksv s GLN 94 Ca 0.00 1.33 -0.12 0.00 0.05 0.00 0.00 55.36 56.62 3ksv s GLN 94 Cb 0.00 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 3ksv s GLN 94 CO 0.00 -0.09 -0.23 -1.91 -0.55 0.00 0.00 175.29 172.51 3ksv n GLU 95 N 4.12 0.34 -2.60 1.67 2.13 -1.26 -3.99 120.64 121.04 3ksv n GLU 95 Ca 0.05 0.14 -0.42 0.00 0.66 0.00 0.00 57.16 57.59 3ksv n GLU 95 Cb 0.51 -1.08 -0.03 0.00 0.27 0.00 0.00 31.44 31.10 3ksv n GLU 95 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3ksv s VAL 96 N -2.47 4.58 -0.46 6.31 1.01 -1.26 -4.94 120.40 123.18 3ksv s VAL 96 Ca -0.19 1.86 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 3ksv s VAL 96 Cb 0.03 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 32.01 3ksv s VAL 96 CO 0.28 0.06 3.19 -0.81 0.00 0.00 0.00 175.10 177.82 3ksv n PRO 97 N 4.60 2.31 -3.74 2.72 -0.04 -1.26 -4.75 135.00 134.84 3ksv n PRO 97 Ca 0.09 -1.27 -0.12 0.00 -0.04 0.00 0.00 63.50 62.16 3ksv n PRO 97 Cb 0.48 -2.20 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 3ksv n PRO 97 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3ksv s HIS 98 N 1.55 -0.34 0.11 0.54 5.04 -1.26 -4.11 115.29 116.82 3ksv s HIS 98 Ca 0.62 0.81 -0.34 0.00 -1.54 0.00 0.00 55.06 54.61 3ksv s HIS 98 Cb 0.25 0.08 -0.14 0.00 0.04 0.00 0.00 32.58 32.82 3ksv s HIS 98 CO -0.02 -0.22 1.63 0.28 -2.34 0.00 0.00 174.74 174.08 3ksv n VAL 99 N 3.89 0.12 -3.72 0.89 0.31 0.29 -4.96 118.33 115.15 3ksv n VAL 99 Ca -0.22 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 3ksv n VAL 99 Cb 0.55 -1.58 -0.13 0.00 -0.91 0.00 0.00 33.84 31.76 3ksv n VAL 99 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3ksv s HIS 100 N 1.55 -0.31 -0.26 3.52 -3.43 -1.26 -4.13 115.29 110.96 3ksv s HIS 100 Ca 0.82 0.76 -0.19 0.00 -0.80 0.00 0.00 55.06 55.66 3ksv s HIS 100 Cb -0.69 0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 30.45 3ksv s HIS 100 CO 0.41 -0.24 0.55 -0.06 -2.00 0.00 0.00 174.74 173.40 3ksv s PHE 101 N 1.39 3.27 0.09 0.38 0.08 -0.20 -4.37 117.98 118.63 3ksv s PHE 101 Ca -0.08 0.69 -0.27 0.00 0.12 0.00 0.00 56.93 57.39 3ksv s PHE 101 Cb -0.11 -2.75 -0.06 0.00 -0.57 0.00 0.00 43.02 39.53 3ksv s PHE 101 CO -0.08 -0.29 0.85 -1.01 -0.10 0.00 0.00 175.22 174.59 3ksv s HIS 102 N 2.35 3.79 -0.31 0.36 3.76 0.38 -0.92 115.29 124.70 3ksv s HIS 102 Ca 0.23 1.63 -0.01 0.00 -0.15 0.00 0.00 55.06 56.76 3ksv s HIS 102 Cb -0.16 -2.92 0.06 0.00 1.11 0.00 0.00 32.58 30.68 3ksv s HIS 102 CO 0.09 0.27 0.01 0.42 -0.85 0.00 0.00 174.74 174.67 3ksv s ILE 103 N -0.15 2.83 -0.28 0.60 1.09 0.23 -1.57 121.20 123.95 3ksv s ILE 103 Ca 0.42 -1.57 -0.00 0.00 -1.10 0.00 0.00 60.65 58.40 3ksv s ILE 103 Cb -0.22 -2.70 0.05 0.00 -1.06 0.00 0.00 42.46 38.53 3ksv s ILE 103 CO 0.26 -0.19 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.24 3ksv s ILE 104 N 1.19 2.69 0.34 2.92 1.01 0.56 -1.68 121.20 128.22 3ksv s ILE 104 Ca -0.03 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 58.88 3ksv s ILE 104 Cb -0.20 -2.54 -0.12 0.00 0.01 0.00 0.00 42.46 39.61 3ksv s ILE 104 CO -0.03 -0.06 1.44 -2.65 0.00 0.00 0.00 174.94 173.65 3ksv n PRO 105 N 4.56 2.46 -3.81 2.79 -0.02 -1.26 -0.92 135.00 138.79 3ksv n PRO 105 Ca -0.14 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 3ksv n PRO 105 Cb 0.43 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.24 3ksv n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ksv s LYS 106 N -1.55 2.34 0.28 -0.52 2.47 0.18 -4.40 119.74 118.54 3ksv s LYS 106 Ca 0.57 -2.59 0.22 0.00 -1.56 0.00 0.00 55.97 52.61 3ksv s LYS 106 Cb -0.52 -3.57 0.11 0.00 -1.46 0.00 0.00 37.83 32.39 3ksv s LYS 106 CO 0.59 -1.15 1.25 0.00 0.16 0.00 0.00 175.35 176.20 3ksv h THR 107 N 5.33 0.06 -2.47 3.43 1.03 -1.84 -3.38 112.91 115.07 3ksv h THR 107 Ca -0.04 -1.10 -0.09 0.00 -0.01 0.00 0.00 66.41 65.17 3ksv h THR 107 Cb 0.92 1.74 -0.20 0.00 -1.07 0.00 0.00 68.15 69.54 3ksv h THR 107 CO 0.70 0.04 -0.04 -0.62 -0.01 0.00 0.00 175.52 175.59 3ksv s ASP 108 N -5.73 -0.47 0.37 0.00 -1.08 -1.26 -5.02 116.67 103.48 3ksv s ASP 108 Ca 0.02 0.58 0.04 0.00 -0.52 0.00 0.00 52.55 52.68 3ksv s ASP 108 Cb 0.08 0.60 0.72 0.00 -1.46 0.00 0.00 42.92 42.85 3ksv s ASP 108 CO 0.75 -0.45 2.01 -0.33 0.52 0.00 0.00 175.17 177.67 3ksv h GLU 109 N 3.87 0.67 -0.00 4.34 5.08 -2.01 -3.09 114.58 123.44 3ksv h GLU 109 Ca -0.28 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3ksv h GLU 109 Cb 1.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3ksv h GLU 109 CO 0.34 0.48 -0.27 1.63 -1.00 0.00 0.00 179.01 180.18 3ksv n LYS 110 N -4.43 0.40 -4.48 2.33 5.02 -1.26 -4.94 118.16 110.80 3ksv n LYS 110 Ca 0.04 -0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 55.90 3ksv n LYS 110 Cb 0.08 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 3ksv n LYS 110 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ksv s THR 111 N -2.73 0.51 0.00 -0.18 -4.23 -1.17 -5.10 115.64 102.73 3ksv s THR 111 Ca 0.19 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3ksv s THR 111 Cb 0.19 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3ksv s THR 111 CO 0.57 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 3ksv n GLY 112 N -0.86 -1.07 3.72 3.99 0.00 -0.99 -4.54 105.19 105.45 3ksv n GLY 112 Ca -0.04 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3ksv n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksv s LEU 113 N 0.00 4.40 -0.17 0.99 2.96 -1.26 -4.90 118.68 120.71 3ksv s LEU 113 Ca 0.00 2.10 -0.01 0.00 -0.22 0.00 0.00 54.13 56.01 3ksv s LEU 113 Cb 0.00 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 3ksv s LEU 113 CO 0.00 -0.43 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.93 3ksv s LYS 114 N 0.57 3.26 -0.05 1.98 1.02 -1.26 -5.08 119.74 120.19 3ksv s LYS 114 Ca 0.57 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 55.90 3ksv s LYS 114 Cb -0.31 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3ksv s LYS 114 CO 0.32 -0.01 -0.25 0.42 -0.92 0.00 0.00 175.35 174.91 3ksv s ILE 115 N 0.91 2.02 -0.27 2.17 1.01 -1.26 -5.12 121.20 120.66 3ksv s ILE 115 Ca -0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 3ksv s ILE 115 Cb -0.15 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 3ksv s ILE 115 CO -0.01 0.56 0.17 -0.83 0.00 0.00 0.00 174.94 174.84 3ksv s GLY 116 N -0.29 1.92 -0.71 6.18 0.00 -1.26 -5.05 107.32 108.12 3ksv s GLY 116 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.70 3ksv s GLY 116 CO 0.02 0.60 0.68 1.87 0.00 0.00 0.00 173.10 176.27 3ksv n TRP 117 N 4.94 3.50 -3.70 1.90 -0.00 -1.26 -5.04 117.44 117.77 3ksv n TRP 117 Ca -0.14 -4.16 -0.39 0.00 -0.00 0.00 0.00 57.50 52.81 3ksv n TRP 117 Cb 0.52 -0.67 -0.12 0.00 -0.00 0.00 0.00 31.31 31.04 3ksv n TRP 117 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3ksv s ASP 118 N -1.83 5.43 0.63 5.87 1.01 -1.26 -5.09 116.67 121.44 3ksv s ASP 118 Ca 0.32 -1.23 -0.11 0.00 0.71 0.00 0.00 52.55 52.24 3ksv s ASP 118 Cb 0.05 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 42.03 3ksv s ASP 118 CO -0.08 -0.39 1.04 0.42 0.21 0.00 0.00 175.17 176.37 3ksv s THR 119 N 1.41 4.56 0.24 -1.27 -4.23 -1.26 -5.09 115.64 110.00 3ksv s THR 119 Ca 0.00 0.83 0.11 0.00 -1.18 0.00 0.00 61.69 61.45 3ksv s THR 119 Cb -0.20 -3.80 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 3ksv s THR 119 CO 0.03 -1.08 -0.20 0.68 -0.54 0.00 0.00 174.62 173.51 3ksv s VAL 120 N -3.18 2.26 0.03 2.29 -7.23 -1.26 -5.12 120.40 108.19 3ksv s VAL 120 Ca 0.56 -2.25 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 3ksv s VAL 120 Cb -0.11 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3ksv s VAL 120 CO 0.54 -0.37 0.89 -1.59 -0.31 0.00 0.00 175.10 174.26 3ksv s LYS 121 N -3.30 4.57 0.03 4.82 0.00 -1.26 -5.06 119.74 119.54 3ksv s LYS 121 Ca 0.25 1.29 0.07 0.00 0.00 0.00 0.00 55.97 57.58 3ksv s LYS 121 Cb -0.05 -3.41 -0.02 0.00 0.00 0.00 0.00 37.83 34.34 3ksv s LYS 121 CO 0.12 0.11 -0.22 0.08 0.00 0.00 0.00 175.35 175.44 3ksv s VAL 122 N 0.46 1.75 0.55 1.79 1.01 -1.26 -5.15 120.40 119.55 3ksv s VAL 122 Ca 0.46 -1.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 3ksv s VAL 122 Cb -0.21 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3ksv s VAL 122 CO 0.26 0.30 0.93 0.00 0.00 0.00 0.00 175.10 176.59 3ksv s ALA 123 N -0.73 3.21 0.18 5.51 0.00 -1.26 -4.93 121.76 123.74 3ksv s ALA 123 Ca 0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 3ksv s ALA 123 Cb -0.09 -2.90 0.13 0.00 0.00 0.00 0.00 23.12 20.25 3ksv s ALA 123 CO 0.01 -0.48 1.81 0.66 0.00 0.00 0.00 175.76 177.77 3ksv h SER 124 N 0.13 0.51 -0.90 0.00 4.64 -2.01 -1.72 113.55 114.19 3ksv h SER 124 Ca -0.45 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3ksv h SER 124 Cb 1.19 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 3ksv h SER 124 CO 0.62 0.35 0.58 -2.24 -0.87 0.00 0.00 176.83 175.27 3ksv h ASP 125 N 0.63 0.94 -0.40 4.97 2.03 -2.00 -1.77 116.42 120.82 3ksv h ASP 125 Ca 0.22 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.41 3ksv h ASP 125 Cb 0.05 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.34 3ksv h ASP 125 CO -0.11 0.62 -0.18 -0.33 -1.03 0.00 0.00 179.24 178.21 3ksv h GLU 126 N 1.09 0.88 -0.62 4.15 5.08 -1.86 -2.33 114.58 120.98 3ksv h GLU 126 Ca 0.38 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3ksv h GLU 126 Cb 0.09 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3ksv h GLU 126 CO -0.15 0.99 0.21 -0.07 -1.00 0.00 0.00 179.01 178.99 3ksv h LEU 127 N 0.78 0.86 -0.28 1.33 3.38 -0.95 -1.33 115.31 119.09 3ksv h LEU 127 Ca 0.11 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ksv h LEU 127 Cb 0.72 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ksv h LEU 127 CO 0.06 0.80 -0.34 0.00 0.09 0.00 0.00 178.44 179.04 3ksv h ALA 128 N 1.32 0.42 0.02 1.53 0.00 -1.13 -0.83 119.26 120.60 3ksv h ALA 128 Ca 0.21 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ksv h ALA 128 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ksv h ALA 128 CO -0.01 0.48 -0.09 1.49 0.00 0.00 0.00 179.25 181.12 3ksv h GLU 129 N 0.47 -0.16 -0.73 0.00 4.81 -1.31 -0.45 114.58 117.22 3ksv h GLU 129 Ca 0.04 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3ksv h GLU 129 Cb 0.93 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3ksv h GLU 129 CO 0.08 -0.10 0.27 -0.44 -0.73 0.00 0.00 179.01 178.09 3ksv h ASP 130 N -0.16 1.01 -0.59 1.04 3.32 -1.23 -1.75 116.42 118.05 3ksv h ASP 130 Ca 0.03 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 3ksv h ASP 130 Cb 0.20 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3ksv h ASP 130 CO -0.08 0.91 0.01 0.00 -1.72 0.00 0.00 179.24 178.36 3ksv h ALA 131 N 1.23 0.87 0.01 3.45 0.00 -0.83 -0.91 119.26 123.08 3ksv h ALA 131 Ca 0.24 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ksv h ALA 131 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ksv h ALA 131 CO -0.02 0.66 -0.00 -0.22 0.00 0.00 0.00 179.25 179.67 3ksv h LYS 132 N 0.96 -0.01 0.01 0.00 3.64 -0.89 -1.21 116.57 119.08 3ksv h LYS 132 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3ksv h LYS 132 Cb 0.54 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3ksv h LYS 132 CO 0.03 0.24 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.35 3ksv h ARG 133 N -0.26 -0.03 -0.33 1.90 2.43 -1.20 -1.73 114.38 115.15 3ksv h ARG 133 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ksv h ARG 133 Cb 0.26 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3ksv h ARG 133 CO 0.00 -0.02 0.21 1.88 -1.51 0.00 0.00 179.97 180.54 3ksv h TYR 134 N -0.03 0.41 -0.41 2.20 -1.99 -1.21 -0.95 116.97 114.99 3ksv h TYR 134 Ca 0.00 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.62 3ksv h TYR 134 Cb 0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 3ksv h TYR 134 CO -0.08 0.25 -0.22 0.66 -0.00 0.00 0.00 178.16 178.77 3ksv h SER 135 N 0.44 0.83 -0.61 3.88 4.64 -1.09 -0.06 113.55 121.58 3ksv h SER 135 Ca 0.12 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 3ksv h SER 135 Cb -0.04 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 3ksv h SER 135 CO -0.03 1.02 0.14 -0.33 -0.87 0.00 0.00 176.83 176.75 3ksv h GLU 136 N 0.71 0.98 -0.71 4.77 5.08 -1.26 0.21 114.58 124.36 3ksv h GLU 136 Ca 0.10 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3ksv h GLU 136 Cb 0.74 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3ksv h GLU 136 CO 0.06 0.90 0.44 0.00 -1.00 0.00 0.00 179.01 179.40 3ksv h ALA 137 N 1.04 0.90 -0.21 3.43 0.00 -0.81 -2.91 119.26 120.69 3ksv h ALA 137 Ca 0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3ksv h ALA 137 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ksv h ALA 137 CO 0.00 0.37 -0.63 0.82 0.00 0.00 0.00 179.25 179.80 3ksv h ILE 138 N 0.96 1.29 -0.34 0.00 2.04 -0.85 -3.25 117.51 117.37 3ksv h ILE 138 Ca 0.26 -1.85 0.06 0.00 1.00 0.00 0.00 64.86 64.32 3ksv h ILE 138 Cb -0.05 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3ksv h ILE 138 CO -0.05 0.59 0.23 0.00 0.00 0.00 0.00 178.15 178.92 3ksv h ALA 139 N 0.73 2.08 -0.51 1.87 0.00 -0.40 -2.69 119.26 120.33 3ksv h ALA 139 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ksv h ALA 139 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ksv h ALA 139 CO 0.13 -0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.59 3ksv n LYS 140 N -4.47 2.26 0.00 0.00 2.85 -1.14 -5.10 118.16 112.56 3ksv n LYS 140 Ca 0.04 -1.95 0.15 0.00 -1.05 0.00 0.00 58.31 55.50 3ksv n LYS 140 Cb 0.28 -1.43 0.72 0.00 -0.65 0.00 0.00 35.03 33.95 3ksv n LYS 140 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46