#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koc s ARG 2 N 0.00 1.31 -0.02 2.12 0.52 0.44 -0.31 118.95 123.00 3koc s ARG 2 Ca 0.00 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3koc s ARG 2 Cb 0.00 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 34.14 3koc s ARG 2 CO 0.00 0.35 0.06 0.54 0.02 0.00 0.00 175.30 176.27 3koc s VAL 3 N -0.68 -0.02 -0.18 3.52 0.11 -0.55 -0.17 120.40 122.43 3koc s VAL 3 Ca 0.06 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3koc s VAL 3 Cb -0.08 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3koc s VAL 3 CO 0.01 0.03 0.03 -0.69 -3.33 0.00 0.00 175.10 171.14 3koc s VAL 4 N 0.38 4.40 -0.19 2.04 1.01 -0.28 -1.98 120.40 125.80 3koc s VAL 4 Ca -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3koc s VAL 4 Cb -0.04 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.39 3koc s VAL 4 CO -0.01 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.77 3koc s ILE 5 N 0.53 1.78 -0.11 2.22 1.01 -0.12 -0.40 121.20 126.11 3koc s ILE 5 Ca 0.01 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3koc s ILE 5 Cb -0.13 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3koc s ILE 5 CO 0.02 0.33 -0.21 -1.10 0.00 0.00 0.00 174.94 173.97 3koc s GLN 6 N 1.37 3.13 0.23 2.79 -0.21 -0.65 -0.63 119.66 125.68 3koc s GLN 6 Ca 0.01 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 3koc s GLN 6 Cb -0.15 -2.39 -0.09 0.00 1.00 0.00 0.00 33.01 31.39 3koc s GLN 6 CO -0.10 0.19 1.06 0.50 -2.12 0.00 0.00 175.29 174.83 3koc s ARG 7 N 0.34 4.67 0.03 2.91 3.52 -0.10 -1.81 118.95 128.51 3koc s ARG 7 Ca -0.17 1.70 -0.04 0.00 -0.13 0.00 0.00 55.73 57.09 3koc s ARG 7 Cb -0.17 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3koc s ARG 7 CO 0.08 0.22 0.06 0.14 -0.81 0.00 0.00 175.30 174.99 3koc s VAL 8 N -0.76 0.13 0.06 7.11 -7.23 0.54 -1.02 120.40 119.23 3koc s VAL 8 Ca 0.46 -1.08 0.10 0.00 -1.81 0.00 0.00 61.98 59.64 3koc s VAL 8 Cb -0.29 -0.78 -0.11 0.00 0.56 0.00 0.00 36.38 35.76 3koc s VAL 8 CO 0.37 -0.60 1.37 0.11 -0.31 0.00 0.00 175.10 176.04 3koc h LYS 9 N 3.88 0.00 -1.23 4.82 1.79 -1.19 0.25 116.57 124.89 3koc h LYS 9 Ca -0.32 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.47 3koc h LYS 9 Cb 1.19 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.67 3koc h LYS 9 CO 0.49 0.82 0.91 0.20 -1.08 0.00 0.00 179.45 180.79 3koc s GLY 10 N -4.61 -0.34 -0.25 3.86 0.00 -1.22 0.09 107.32 104.85 3koc s GLY 10 Ca 0.02 1.35 -0.22 0.00 0.00 0.00 0.00 44.72 45.86 3koc s GLY 10 CO 0.79 0.39 0.65 0.00 0.00 0.00 0.00 173.10 174.93 3koc s ALA 11 N -2.21 -1.62 -0.15 3.20 0.00 -0.36 -1.61 121.76 119.02 3koc s ALA 11 Ca 0.12 1.88 -0.00 0.00 0.00 0.00 0.00 51.96 53.96 3koc s ALA 11 Cb 0.02 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3koc s ALA 11 CO -0.04 -0.31 -0.07 0.42 0.00 0.00 0.00 175.76 175.76 3koc s ILE 12 N 0.49 1.12 -0.13 0.00 1.01 -0.33 -1.34 121.20 122.01 3koc s ILE 12 Ca -0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 3koc s ILE 12 Cb -0.05 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3koc s ILE 12 CO -0.01 0.23 0.10 -0.22 0.00 0.00 0.00 174.94 175.04 3koc s LEU 13 N 1.64 4.15 0.01 2.97 0.20 0.12 -1.48 118.68 126.29 3koc s LEU 13 Ca 0.02 0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.19 3koc s LEU 13 Cb -0.14 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 3koc s LEU 13 CO -0.08 0.35 -0.01 -0.94 -0.29 0.00 0.00 176.35 175.38 3koc s SER 14 N -0.71 0.15 0.54 3.68 1.04 0.01 -1.28 113.70 117.13 3koc s SER 14 Ca 0.13 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.47 3koc s SER 14 Cb -0.12 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.05 3koc s SER 14 CO 0.03 -0.06 0.34 0.68 0.98 0.00 0.00 173.24 175.20 3koc s VAL 15 N -0.38 1.55 0.62 5.02 -7.23 -0.65 -0.46 120.40 118.87 3koc s VAL 15 Ca -0.04 -1.58 0.09 0.00 -1.81 0.00 0.00 61.98 58.64 3koc s VAL 15 Cb -0.03 -2.13 0.11 0.00 0.56 0.00 0.00 36.38 34.89 3koc s VAL 15 CO -0.00 0.00 0.86 0.54 -0.31 0.00 0.00 175.10 176.18 3koc n ARG 16 N -1.69 0.49 -3.66 4.82 1.74 -1.26 -0.50 116.66 116.60 3koc n ARG 16 Ca -0.05 -3.16 -0.36 0.00 -0.77 0.00 0.00 57.85 53.51 3koc n ARG 16 Cb 0.65 -0.31 -0.09 0.00 -1.02 0.00 0.00 32.46 31.69 3koc n ARG 16 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3koc s GLU 24 N -4.78 4.10 0.00 5.56 2.12 -1.26 -4.70 118.70 119.73 3koc s GLU 24 Ca 0.64 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.72 3koc s GLU 24 Cb -0.05 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3koc s GLU 24 CO 0.41 0.10 0.00 1.17 -0.54 0.00 0.00 175.26 176.40 3koc n LYS 25 N 4.15 0.00 -1.00 4.30 4.81 -1.26 -5.18 118.16 123.99 3koc n LYS 25 Ca -0.15 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.42 3koc n LYS 25 Cb 0.52 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.53 3koc n LYS 25 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3koc n GLU 26 N -0.17 -2.05 -4.08 1.64 0.00 -1.26 -5.07 120.64 109.65 3koc n GLU 26 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 57.16 58.26 3koc n GLU 26 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 31.44 28.89 3koc n GLU 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3koc s LEU 27 N -5.80 3.70 -0.07 -1.84 1.43 -1.26 -4.57 118.68 110.27 3koc s LEU 27 Ca 0.00 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3koc s LEU 27 Cb 0.00 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3koc s LEU 27 CO 0.00 0.15 -0.06 -1.83 0.23 0.00 0.00 176.35 174.84 3koc s GLU 28 N -2.50 1.17 -0.05 1.70 -1.05 0.35 -4.92 118.70 113.39 3koc s GLU 28 Ca 0.29 -0.18 -0.30 0.00 -0.15 0.00 0.00 54.97 54.63 3koc s GLU 28 Cb -0.12 -1.16 -0.07 0.00 -0.44 0.00 0.00 34.13 32.35 3koc s GLU 28 CO 0.21 -0.12 1.87 0.42 0.95 0.00 0.00 175.26 178.59 3koc s ILE 29 N 1.16 3.25 -0.11 1.83 1.01 -1.26 -1.64 121.20 125.45 3koc s ILE 29 Ca -0.06 0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3koc s ILE 29 Cb -0.14 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3koc s ILE 29 CO -0.01 -0.05 0.12 2.30 0.00 0.00 0.00 174.94 177.29 3koc n ILE 30 N 5.91 0.00 -3.83 2.92 -5.35 -0.40 -4.97 119.36 113.64 3koc n ILE 30 Ca 0.20 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 3koc n ILE 30 Cb 0.43 0.83 -0.14 0.00 -1.74 0.00 0.00 39.64 39.01 3koc n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3koc s SER 31 N -1.64 -0.03 -0.12 7.28 0.01 -1.17 -5.03 113.70 113.00 3koc s SER 31 Ca 0.01 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 3koc s SER 31 Cb 0.02 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.36 3koc s SER 31 CO 0.14 -0.05 0.31 -0.70 0.41 0.00 0.00 173.24 173.34 3koc s GLU 32 N 0.38 0.32 0.12 12.44 2.12 -1.26 -0.70 118.70 132.11 3koc s GLU 32 Ca -0.03 0.52 0.06 0.00 0.36 0.00 0.00 54.97 55.88 3koc s GLU 32 Cb -0.04 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 3koc s GLU 32 CO -0.01 -0.10 -0.13 0.96 -0.54 0.00 0.00 175.26 175.44 3koc s ILE 33 N 0.69 1.28 0.00 -3.70 -4.36 -0.45 -4.96 121.20 109.70 3koc s ILE 33 Ca -0.04 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3koc s ILE 33 Cb -0.06 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.15 3koc s ILE 33 CO -0.04 -0.43 0.00 0.29 0.24 0.00 0.00 174.94 174.99 3koc n LYS 34 N 0.54 2.22 -1.68 0.37 4.76 -1.26 -1.22 118.16 121.89 3koc n LYS 34 Ca -0.16 0.00 -0.57 0.00 -2.87 0.00 0.00 58.31 54.72 3koc n LYS 34 Cb 0.57 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.69 3koc n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3koc n ASN 35 N 0.00 2.13 0.00 4.39 3.02 0.11 -3.38 115.26 121.53 3koc n ASN 35 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 3koc n ASN 35 Cb 0.00 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 3koc n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3koc n GLY 36 N 3.76 -0.70 3.29 7.41 0.00 0.08 -2.28 105.19 116.75 3koc n GLY 36 Ca 0.25 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 3koc n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koc s LEU 37 N 0.00 2.17 -0.13 0.99 1.43 -0.47 -0.34 118.68 122.33 3koc s LEU 37 Ca 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3koc s LEU 37 Cb 0.00 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3koc s LEU 37 CO 0.00 0.20 -0.00 -0.51 0.23 0.00 0.00 176.35 176.27 3koc s ILE 38 N -0.80 4.25 -0.25 -0.59 2.07 -0.75 -1.27 121.20 123.86 3koc s ILE 38 Ca 0.09 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 3koc s ILE 38 Cb -0.09 -2.84 0.07 0.00 0.13 0.00 0.00 42.46 39.73 3koc s ILE 38 CO 0.02 0.54 -0.01 0.00 -1.91 0.00 0.00 174.94 173.58 3koc s PHE 40 N 1.43 2.93 -0.31 0.00 0.08 0.46 -1.19 117.98 121.38 3koc s PHE 40 Ca -0.01 0.27 -0.04 0.00 0.12 0.00 0.00 56.93 57.27 3koc s PHE 40 Cb -0.18 -3.90 0.04 0.00 -0.57 0.00 0.00 43.02 38.41 3koc s PHE 40 CO -0.10 -1.10 0.04 -1.17 -0.10 0.00 0.00 175.22 172.80 3koc s LEU 41 N 3.65 3.98 -0.14 -0.37 0.20 0.48 -1.12 118.68 125.35 3koc s LEU 41 Ca 0.34 -1.10 -0.07 0.00 0.69 0.00 0.00 54.13 53.99 3koc s LEU 41 Cb -0.11 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3koc s LEU 41 CO 0.25 -0.26 0.10 -0.83 -0.29 0.00 0.00 176.35 175.31 3koc s GLY 42 N 1.35 2.04 -0.30 7.98 0.00 0.76 -0.43 107.32 118.72 3koc s GLY 42 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 3koc s GLY 42 CO 0.01 -0.21 0.05 -0.42 0.00 0.00 0.00 173.10 172.52 3koc s ILE 43 N -0.45 3.53 0.72 0.90 1.01 -1.26 -0.42 121.20 125.24 3koc s ILE 43 Ca 0.11 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 3koc s ILE 43 Cb -0.12 -2.91 0.04 0.00 0.01 0.00 0.00 42.46 39.48 3koc s ILE 43 CO 0.02 -0.01 1.15 -2.28 0.00 0.00 0.00 174.94 173.81 3koc s HIS 44 N 1.39 2.30 0.30 3.97 5.65 -1.26 -1.18 115.29 126.46 3koc s HIS 44 Ca -0.01 1.60 0.02 0.00 0.25 0.00 0.00 55.06 56.92 3koc s HIS 44 Cb -0.18 -3.29 0.47 0.00 -1.18 0.00 0.00 32.58 28.40 3koc s HIS 44 CO 0.01 -2.16 1.80 -0.22 -0.65 0.00 0.00 174.74 173.51 3koc h LYS 45 N -0.41 0.59 -2.09 2.88 3.64 -1.59 -2.96 116.57 116.62 3koc h LYS 45 Ca -0.46 -0.16 -0.75 0.00 -1.27 0.00 0.00 60.65 58.01 3koc h LYS 45 Cb 1.27 -0.07 -0.30 0.00 -0.41 0.00 0.00 32.23 32.71 3koc h LYS 45 CO 0.51 0.66 0.67 0.09 -2.27 0.00 0.00 179.45 179.11 3koc n ASN 46 N -4.22 6.81 -4.69 4.20 3.02 -1.26 -4.89 115.26 114.24 3koc n ASN 46 Ca 0.01 -3.75 -0.36 0.00 -0.03 0.00 0.00 54.58 50.45 3koc n ASN 46 Cb 0.30 -0.99 -0.08 0.00 -0.61 0.00 0.00 39.78 38.40 3koc n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3koc s ASP 47 N -1.73 6.25 0.36 6.41 1.01 -1.12 -4.96 116.67 122.89 3koc s ASP 47 Ca 0.46 0.27 0.02 0.00 0.71 0.00 0.00 52.55 54.01 3koc s ASP 47 Cb 0.31 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 3koc s ASP 47 CO -0.24 0.08 0.54 0.42 0.21 0.00 0.00 175.17 176.18 3koc s THR 48 N 0.82 4.75 0.55 -1.27 -4.23 -1.26 -4.99 115.64 110.02 3koc s THR 48 Ca 0.11 -0.60 0.25 0.00 -1.18 0.00 0.00 61.69 60.27 3koc s THR 48 Cb -0.13 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 70.35 3koc s THR 48 CO 0.03 -0.43 2.06 -0.25 -0.54 0.00 0.00 174.62 175.49 3koc h TRP 49 N 0.74 0.00 0.00 3.99 -0.00 -2.00 -0.09 115.95 118.59 3koc h TRP 49 Ca -0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.34 3koc h TRP 49 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.38 3koc h TRP 49 CO 0.48 0.00 -0.31 0.93 -0.00 0.00 0.00 178.44 179.54 3koc h GLU 50 N 0.00 0.00 -0.47 2.65 4.39 -1.99 -1.57 114.58 117.58 3koc h GLU 50 Ca 0.14 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 3koc h GLU 50 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3koc h GLU 50 CO -0.00 0.31 -0.03 -0.44 -1.16 0.00 0.00 179.01 177.69 3koc h ASP 51 N 0.00 0.78 0.29 1.42 3.32 -1.39 -2.70 116.42 118.14 3koc h ASP 51 Ca -0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 3koc h ASP 51 Cb 0.59 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3koc h ASP 51 CO 0.04 0.86 -0.49 0.00 -1.72 0.00 0.00 179.24 177.93 3koc h ALA 52 N 1.22 1.00 -0.15 3.45 0.00 -1.32 -3.01 119.26 120.45 3koc h ALA 52 Ca 0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3koc h ALA 52 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3koc h ALA 52 CO 0.02 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.59 3koc h LEU 53 N 0.19 0.50 -0.76 0.00 4.07 -1.12 -1.50 115.31 116.69 3koc h LEU 53 Ca 0.01 -0.54 0.07 0.00 0.08 0.00 0.00 57.88 57.50 3koc h LEU 53 Cb 0.94 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.48 3koc h LEU 53 CO 0.08 0.94 0.44 0.22 -1.08 0.00 0.00 178.44 179.04 3koc h TYR 54 N 0.07 0.80 0.13 1.13 3.20 -1.53 0.25 116.97 121.02 3koc h TYR 54 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3koc h TYR 54 Cb 0.85 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3koc h TYR 54 CO 0.10 0.38 -0.06 0.82 -1.64 0.00 0.00 178.16 177.76 3koc h ILE 55 N 0.79 0.90 0.16 1.81 1.08 -1.37 -1.20 117.51 119.69 3koc h ILE 55 Ca 0.34 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.71 3koc h ILE 55 Cb 0.22 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3koc h ILE 55 CO -0.19 0.02 -0.08 0.40 -0.69 0.00 0.00 178.15 177.61 3koc h ILE 56 N -0.21 0.86 -0.45 -0.67 2.04 -0.82 -1.84 117.51 116.41 3koc h ILE 56 Ca -0.02 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.85 3koc h ILE 56 Cb 0.17 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 3koc h ILE 56 CO 0.03 0.02 -0.40 -0.09 0.00 0.00 0.00 178.15 177.70 3koc h ARG 57 N -0.25 -0.27 -0.22 2.37 2.43 -0.92 0.11 114.38 117.63 3koc h ARG 57 Ca -0.02 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3koc h ARG 57 Cb 0.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3koc h ARG 57 CO 0.04 -0.18 -0.06 0.87 -1.51 0.00 0.00 179.97 179.12 3koc h LYS 58 N -0.28 0.42 -0.64 0.20 1.79 -1.06 0.43 116.57 117.43 3koc h LYS 58 Ca 0.16 -0.17 0.14 0.00 -2.18 0.00 0.00 60.65 58.60 3koc h LYS 58 Cb 0.57 -0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.09 3koc h LYS 58 CO -0.60 0.68 -0.02 0.00 -1.08 0.00 0.00 179.45 178.42 3koc h LEU 60 N 0.09 0.00 0.00 0.00 3.38 -0.09 -3.39 115.31 115.30 3koc h LEU 60 Ca 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3koc h LEU 60 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3koc h LEU 60 CO -0.57 0.00 -1.07 0.59 0.09 0.00 0.00 178.44 177.48 3koc n ASN 61 N -2.59 4.72 -4.67 -0.43 4.13 0.14 -4.28 115.26 112.29 3koc n ASN 61 Ca 0.05 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.85 3koc n ASN 61 Cb 0.46 0.75 -0.04 0.00 -1.54 0.00 0.00 39.78 39.41 3koc n ASN 61 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3koc n LEU 62 N -1.84 3.03 -4.49 3.41 4.77 0.25 -4.67 117.00 117.46 3koc n LEU 62 Ca -0.01 1.10 -0.44 0.00 -0.03 0.00 0.00 56.01 56.63 3koc n LEU 62 Cb 0.33 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.00 3koc n LEU 62 CO 0.02 -0.37 1.48 -0.13 -1.33 0.00 0.00 177.39 177.06 3koc s ARG 63 N 0.56 4.01 -0.22 3.23 0.52 -1.26 -4.30 118.95 121.49 3koc s ARG 63 Ca 0.76 -2.34 0.15 0.00 -0.52 0.00 0.00 55.73 53.78 3koc s ARG 63 Cb -0.68 -5.16 0.75 0.00 0.52 0.00 0.00 34.95 30.38 3koc s ARG 63 CO 0.41 -1.88 1.67 1.28 0.02 0.00 0.00 175.30 176.80 3koc n LEU 64 N 6.41 5.26 -4.01 2.53 4.77 -1.02 -3.29 117.00 127.65 3koc n LEU 64 Ca 0.38 -2.94 -0.23 0.00 -0.03 0.00 0.00 56.01 53.19 3koc n LEU 64 Cb 0.44 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.72 3koc n LEU 64 CO 0.64 0.65 -0.45 0.26 -1.33 0.00 0.00 177.39 177.16 3koc s TRP 65 N -2.75 1.22 0.68 -1.77 0.51 -1.00 -4.90 118.94 110.93 3koc s TRP 65 Ca 0.52 -0.39 -0.15 0.00 -2.12 0.00 0.00 56.10 53.96 3koc s TRP 65 Cb 0.40 -0.90 0.01 0.00 -0.81 0.00 0.00 33.47 32.17 3koc s TRP 65 CO 0.14 -0.19 1.14 -0.80 -0.51 0.00 0.00 176.95 176.73 3koc s ASN 66 N 0.48 4.79 -0.31 2.95 -0.87 -1.26 -1.34 114.94 119.37 3koc s ASN 66 Ca -0.09 2.12 -0.03 0.00 -1.57 0.00 0.00 52.86 53.29 3koc s ASN 66 Cb -0.13 -2.56 0.11 0.00 -0.02 0.00 0.00 41.25 38.65 3koc s ASN 66 CO 0.02 -1.85 0.15 0.21 -2.57 0.00 0.00 177.10 173.06 3koc s ASN 67 N -2.38 3.41 -0.06 -1.22 2.47 0.53 -4.72 114.94 112.96 3koc s ASN 67 Ca 0.69 -1.55 -0.05 0.00 0.42 0.00 0.00 52.86 52.38 3koc s ASN 67 Cb -0.23 -0.38 0.01 0.00 -1.45 0.00 0.00 41.25 39.19 3koc s ASN 67 CO 0.43 -0.40 0.08 -0.67 -3.72 0.00 0.00 177.10 172.81 3koc n ASP 68 N 4.91 -2.05 0.00 -4.21 -0.08 -1.26 -0.80 116.55 113.06 3koc n ASP 68 Ca -0.01 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 3koc n ASP 68 Cb 0.41 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.34 3koc n ASP 68 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3koc n ASN 69 N 1.12 0.00 -4.39 1.67 2.85 -1.26 -5.02 115.26 110.23 3koc n ASN 69 Ca -0.01 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.15 3koc n ASN 69 Cb 0.19 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.07 3koc n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3koc s LYS 70 N -0.28 1.97 0.24 1.20 1.02 0.02 -5.14 119.74 118.77 3koc s LYS 70 Ca 0.00 -1.02 0.08 0.00 0.02 0.00 0.00 55.97 55.05 3koc s LYS 70 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3koc s LYS 70 CO 0.00 0.53 0.06 0.95 -0.92 0.00 0.00 175.35 175.98 3koc s THR 71 N -0.82 3.86 -0.88 2.17 -4.23 -1.26 0.20 115.64 114.67 3koc s THR 71 Ca 0.13 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 3koc s THR 71 Cb -0.10 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.70 3koc s THR 71 CO 0.03 -0.30 0.63 0.79 -0.54 0.00 0.00 174.62 175.23 3koc n TRP 72 N -0.80 -2.05 0.00 3.99 7.02 -1.24 -4.83 117.44 119.53 3koc n TRP 72 Ca -0.08 0.75 0.00 0.00 -1.02 0.00 0.00 57.50 57.16 3koc n TRP 72 Cb 0.58 -2.94 0.00 0.00 -2.42 0.00 0.00 31.31 26.53 3koc n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3koc n ASP 73 N -2.48 0.48 -4.63 -0.99 2.03 -0.45 -4.86 116.55 105.64 3koc n ASP 73 Ca -0.25 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.71 3koc n ASP 73 Cb 0.65 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.95 3koc n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3koc s LYS 74 N -1.12 2.84 0.27 -0.67 -0.14 -0.67 -4.89 119.74 115.36 3koc s LYS 74 Ca 0.00 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 3koc s LYS 74 Cb 0.00 -2.68 0.05 0.00 -1.68 0.00 0.00 37.83 33.52 3koc s LYS 74 CO 0.00 0.68 0.37 0.27 -0.76 0.00 0.00 175.35 175.91 3koc n ASN 75 N 2.11 0.80 -0.04 2.83 0.23 -1.26 -2.38 115.26 117.55 3koc n ASN 75 Ca -0.18 -1.61 -0.08 0.00 -0.53 0.00 0.00 54.58 52.18 3koc n ASN 75 Cb 0.53 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.99 3koc n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3koc h VAL 76 N -0.13 0.86 -0.34 3.53 2.07 -1.75 -3.15 116.25 117.35 3koc h VAL 76 Ca -0.12 -0.02 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 3koc h VAL 76 Cb 0.53 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3koc h VAL 76 CO 0.16 0.01 -0.46 0.11 0.02 0.00 0.00 177.57 177.41 3koc h LYS 77 N 0.07 0.90 -0.84 1.57 1.57 -1.86 -0.72 116.57 117.25 3koc h LYS 77 Ca 0.10 -0.52 0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3koc h LYS 77 Cb 0.12 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 3koc h LYS 77 CO -0.16 1.16 0.45 -0.44 -0.57 0.00 0.00 179.45 179.89 3koc h ASP 78 N 0.72 0.59 -0.12 0.86 3.32 -1.92 0.18 116.42 120.04 3koc h ASP 78 Ca 0.04 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3koc h ASP 78 Cb 1.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3koc h ASP 78 CO 0.11 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 178.09 3koc n LEU 79 N -4.82 1.23 -2.22 1.55 4.77 -1.10 -4.89 117.00 111.52 3koc n LEU 79 Ca 0.16 -0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 55.46 3koc n LEU 79 Cb 0.37 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3koc n LEU 79 CO 0.23 0.26 -0.01 0.59 -1.33 0.00 0.00 177.39 177.13 3koc n ASN 80 N 0.03 -4.88 -4.16 -1.43 4.13 0.63 -5.01 115.26 104.58 3koc n ASN 80 Ca 0.15 -0.20 -0.17 0.00 1.68 0.00 0.00 54.58 56.05 3koc n ASN 80 Cb 0.26 -3.76 0.07 0.00 -1.54 0.00 0.00 39.78 34.82 3koc n ASN 80 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3koc n TYR 81 N -4.16 -2.72 -4.31 3.10 4.01 -0.30 -5.02 117.16 107.76 3koc n TYR 81 Ca -0.09 -1.53 -0.25 0.00 -0.16 0.00 0.00 57.90 55.87 3koc n TYR 81 Cb 0.59 -0.50 -0.08 0.00 -0.31 0.00 0.00 39.34 39.04 3koc n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3koc s GLU 82 N -4.28 2.12 0.02 -0.72 2.02 -0.97 -4.77 118.70 112.12 3koc s GLU 82 Ca 0.50 -1.84 0.04 0.00 0.02 0.00 0.00 54.97 53.69 3koc s GLU 82 Cb -0.03 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 3koc s GLU 82 CO 0.32 0.02 -0.12 -0.51 0.02 0.00 0.00 175.26 174.99 3koc s LEU 83 N -3.78 2.11 -0.28 1.80 1.02 -0.97 -1.36 118.68 117.21 3koc s LEU 83 Ca 0.37 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 54.20 3koc s LEU 83 Cb 0.03 -0.53 0.07 0.00 0.02 0.00 0.00 46.19 45.77 3koc s LEU 83 CO 0.20 0.05 -0.07 -0.22 0.02 0.00 0.00 176.35 176.34 3koc s LEU 84 N -0.79 3.77 -0.42 1.79 2.96 -0.39 -0.30 118.68 125.28 3koc s LEU 84 Ca 0.02 -1.59 -0.15 0.00 -0.22 0.00 0.00 54.13 52.19 3koc s LEU 84 Cb -0.06 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.10 3koc s LEU 84 CO 0.00 -0.24 0.31 -0.63 -1.32 0.00 0.00 176.35 174.48 3koc s ILE 85 N 1.06 5.15 -0.19 6.68 -1.09 0.25 -1.48 121.20 131.58 3koc s ILE 85 Ca -0.04 -0.81 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 3koc s ILE 85 Cb -0.20 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3koc s ILE 85 CO -0.06 -0.38 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.49 3koc s VAL 86 N 1.65 3.06 0.12 2.92 1.01 -0.33 -3.67 120.40 125.15 3koc s VAL 86 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 3koc s VAL 86 Cb -0.20 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 3koc s VAL 86 CO 0.09 0.47 1.53 -0.55 0.00 0.00 0.00 175.10 176.64 3koc s SER 87 N 1.13 6.67 -0.34 3.32 0.15 -1.26 -0.39 113.70 122.98 3koc s SER 87 Ca 0.01 2.47 -0.00 0.00 0.70 0.00 0.00 55.95 59.13 3koc s SER 87 Cb -0.14 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.69 3koc s SER 87 CO -0.03 -0.79 0.14 -1.10 1.20 0.00 0.00 173.24 172.67 3koc s GLN 88 N 1.59 0.78 0.43 5.44 -1.52 0.43 -4.78 119.66 122.03 3koc s GLN 88 Ca 0.69 -1.25 0.24 0.00 -1.95 0.00 0.00 55.36 53.09 3koc s GLN 88 Cb -0.40 -1.94 0.84 0.00 -0.22 0.00 0.00 33.01 31.29 3koc s GLN 88 CO 0.31 -1.04 1.79 0.27 -0.25 0.00 0.00 175.29 176.36 3koc h PHE 89 N 7.74 0.00 0.00 0.91 -5.15 -1.95 -2.88 116.94 115.61 3koc h PHE 89 Ca -0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.67 3koc h PHE 89 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 3koc h PHE 89 CO 0.39 0.22 0.03 0.25 -2.00 0.00 0.00 178.31 177.20 3koc n THR 90 N -3.34 1.16 0.21 0.88 -2.24 -1.26 -1.13 114.28 108.56 3koc n THR 90 Ca 0.01 0.70 0.06 0.00 -2.27 0.00 0.00 64.05 62.54 3koc n THR 90 Cb 0.45 -1.70 0.48 0.00 -2.10 0.00 0.00 70.33 67.46 3koc n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3koc h LEU 91 N 0.00 0.00 -2.57 3.22 3.38 -1.92 0.13 115.31 117.55 3koc h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3koc h LEU 91 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3koc h LEU 91 CO 0.00 0.26 0.00 0.49 0.09 0.00 0.00 178.44 179.28 3koc n PHE 92 N -4.06 1.27 -1.66 1.13 3.72 -0.28 -4.89 117.46 112.68 3koc n PHE 92 Ca -0.02 -0.47 -0.45 0.00 -0.05 0.00 0.00 57.45 56.46 3koc n PHE 92 Cb 0.32 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 3koc n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3koc n GLY 93 N 0.68 1.58 3.46 1.37 0.00 0.43 -4.28 105.19 108.43 3koc n GLY 93 Ca 0.19 0.84 -0.43 0.00 0.00 0.00 0.00 46.02 46.62 3koc n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3koc s ASN 94 N 4.63 6.24 -0.25 1.61 2.47 0.31 -4.90 114.94 125.05 3koc s ASN 94 Ca 0.92 -0.85 0.13 0.00 0.42 0.00 0.00 52.86 53.49 3koc s ASN 94 Cb -0.56 -2.36 0.73 0.00 -1.45 0.00 0.00 41.25 37.61 3koc s ASN 94 CO 0.47 -1.15 1.70 0.35 -3.72 0.00 0.00 177.10 174.75 3koc n THR 95 N 5.84 2.73 0.00 -5.21 -2.24 -1.26 -3.49 114.28 110.65 3koc n THR 95 Ca -0.04 -1.62 -0.18 0.00 -2.27 0.00 0.00 64.05 59.94 3koc n THR 95 Cb 0.46 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 3koc n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koc h LYS 96 N 3.06 0.23 0.00 -0.78 1.57 -1.96 -3.42 116.57 115.28 3koc h LYS 96 Ca 0.09 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3koc h LYS 96 Cb 1.98 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.40 3koc h LYS 96 CO 0.51 1.11 0.00 1.63 -0.57 0.00 0.00 179.45 182.14 3koc n LYS 97 N -4.31 0.00 0.00 3.15 5.02 -1.26 -5.00 118.16 115.76 3koc n LYS 97 Ca -0.12 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3koc n LYS 97 Cb 0.67 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 3koc n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3koc n GLY 98 N -0.59 5.46 0.06 0.72 0.00 -1.26 -5.05 105.19 104.53 3koc n GLY 98 Ca 0.00 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.94 3koc n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3koc n ASN 99 N 0.00 0.61 -4.64 1.61 3.02 -1.26 -4.79 115.26 109.80 3koc n ASN 99 Ca 0.00 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 3koc n ASN 99 Cb 0.00 0.80 -0.10 0.00 -0.61 0.00 0.00 39.78 39.87 3koc n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3koc s LYS 100 N -3.29 4.05 0.10 3.52 2.20 -1.26 -5.07 119.74 119.99 3koc s LYS 100 Ca 0.01 -0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.13 3koc s LYS 100 Cb 0.13 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 3koc s LYS 100 CO 0.81 -0.02 0.87 -1.25 -0.36 0.00 0.00 175.35 175.39 3koc s PRO 101 N 1.29 4.62 -0.13 4.03 0.04 -1.26 -4.93 135.00 138.66 3koc s PRO 101 Ca 0.09 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 3koc s PRO 101 Cb -0.14 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3koc s PRO 101 CO 0.07 0.29 -0.08 0.16 0.04 0.00 0.00 177.00 177.48 3koc s ASP 102 N -0.19 4.48 -0.27 6.66 1.47 -1.23 -4.83 116.67 122.77 3koc s ASP 102 Ca 0.42 -0.18 0.13 0.00 1.18 0.00 0.00 52.55 54.10 3koc s ASP 102 Cb -0.22 -1.58 0.78 0.00 -0.34 0.00 0.00 42.92 41.56 3koc s ASP 102 CO 0.27 0.21 1.76 0.49 0.68 0.00 0.00 175.17 178.58 3koc n PHE 103 N 3.24 2.16 -0.06 2.11 3.72 -1.26 -0.53 117.46 126.84 3koc n PHE 103 Ca -0.18 -0.93 0.25 0.00 -0.05 0.00 0.00 57.45 56.54 3koc n PHE 103 Cb 0.53 -0.57 0.71 0.00 -0.94 0.00 0.00 39.48 39.21 3koc n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3koc h HIS 104 N 3.34 0.00 0.00 1.38 3.86 -1.96 0.26 115.15 122.04 3koc h HIS 104 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3koc h HIS 104 Cb 2.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.56 3koc h HIS 104 CO 1.14 0.00 0.00 -0.11 0.86 0.00 0.00 177.93 179.82 3koc n LEU 105 N -3.92 0.45 -4.81 2.43 7.94 -1.26 -4.84 117.00 112.99 3koc n LEU 105 Ca 0.14 0.57 -0.31 0.00 -1.11 0.00 0.00 56.01 55.30 3koc n LEU 105 Cb 0.86 -0.46 0.06 0.00 0.53 0.00 0.00 43.42 44.42 3koc n LEU 105 CO 0.32 -0.25 0.71 0.00 -1.11 0.00 0.00 177.39 177.06 3koc s ALA 106 N -3.12 2.59 0.03 1.96 0.00 0.92 -2.05 121.76 122.08 3koc s ALA 106 Ca 0.09 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 3koc s ALA 106 Cb 0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3koc s ALA 106 CO 0.47 -1.34 0.96 0.21 0.00 0.00 0.00 175.76 176.06 3koc s LYS 107 N -5.03 4.59 -0.20 0.00 2.20 -0.32 -4.27 119.74 116.71 3koc s LYS 107 Ca 0.59 1.40 -0.39 0.00 -0.36 0.00 0.00 55.97 57.21 3koc s LYS 107 Cb -0.15 -3.44 -0.15 0.00 -1.51 0.00 0.00 37.83 32.59 3koc s LYS 107 CO 0.55 0.03 1.72 -1.91 -0.36 0.00 0.00 175.35 175.38 3koc n GLU 108 N 3.60 1.33 0.22 4.03 0.00 -1.26 -4.50 120.64 124.05 3koc n GLU 108 Ca 0.05 0.49 0.16 0.00 0.00 0.00 0.00 57.16 57.86 3koc n GLU 108 Cb 0.51 -2.19 0.70 0.00 0.00 0.00 0.00 31.44 30.46 3koc n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3koc h PRO 109 N 7.20 0.00 -0.06 5.31 0.11 -1.97 -0.69 132.00 141.90 3koc h PRO 109 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 3koc h PRO 109 Cb 1.31 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.43 3koc h PRO 109 CO 0.94 0.00 -0.90 -0.91 -0.21 0.00 0.00 178.00 176.92 3koc h ASN 110 N 0.00 0.78 0.48 -2.05 4.21 -2.00 -2.51 115.58 114.48 3koc h ASN 110 Ca 0.10 -0.57 -0.30 0.00 1.21 0.00 0.00 56.30 56.73 3koc h ASN 110 Cb 1.05 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.98 3koc h ASN 110 CO -0.00 1.37 -1.66 -0.33 -1.29 0.00 0.00 177.43 175.52 3koc h GLU 111 N 0.38 0.09 -0.83 0.81 5.08 -1.51 -3.20 114.58 115.40 3koc h GLU 111 Ca -0.08 -0.15 0.19 0.00 -1.00 0.00 0.00 59.36 58.32 3koc h GLU 111 Cb 1.53 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.72 3koc h GLU 111 CO 0.17 0.77 0.32 0.00 -1.00 0.00 0.00 179.01 179.27 3koc h ALA 112 N 0.76 1.23 -0.50 3.43 0.00 -1.43 0.14 119.26 122.90 3koc h ALA 112 Ca -0.27 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3koc h ALA 112 Cb 1.99 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 3koc h ALA 112 CO 0.10 -0.30 -0.01 1.25 0.00 0.00 0.00 179.25 180.29 3koc h LEU 113 N 0.39 0.88 0.07 0.00 5.85 -1.51 -0.67 115.31 120.32 3koc h LEU 113 Ca 0.49 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3koc h LEU 113 Cb 0.86 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3koc h LEU 113 CO -0.49 0.98 -0.21 0.40 -0.34 0.00 0.00 178.44 178.77 3koc h ILE 114 N 0.76 0.51 -0.63 4.05 2.04 -1.37 -2.73 117.51 120.14 3koc h ILE 114 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 3koc h ILE 114 Cb 0.54 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3koc h ILE 114 CO 0.03 0.00 0.40 0.15 0.00 0.00 0.00 178.15 178.73 3koc h PHE 115 N -0.38 0.76 -0.73 1.37 3.04 -0.86 -2.65 116.94 117.49 3koc h PHE 115 Ca 0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3koc h PHE 115 Cb 0.42 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 3koc h PHE 115 CO -0.22 0.45 0.46 -0.92 -2.02 0.00 0.00 178.31 176.06 3koc h TYR 116 N 0.80 0.94 0.01 0.41 5.03 -0.96 -1.04 116.97 122.16 3koc h TYR 116 Ca 0.25 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.35 3koc h TYR 116 Cb -0.03 -0.31 0.02 0.00 1.55 0.00 0.00 36.73 37.96 3koc h TYR 116 CO -0.04 0.61 -0.85 -0.91 -1.32 0.00 0.00 178.16 175.65 3koc h ASN 117 N 1.00 0.73 -0.80 -2.11 2.35 -1.26 -0.12 115.58 115.37 3koc h ASN 117 Ca 0.27 -0.76 0.18 0.00 -0.55 0.00 0.00 56.30 55.44 3koc h ASN 117 Cb -0.08 -0.22 -0.12 0.00 0.05 0.00 0.00 38.32 37.95 3koc h ASN 117 CO -0.05 1.40 0.26 0.11 -1.65 0.00 0.00 177.43 177.49 3koc h LYS 118 N 0.15 0.32 -0.25 0.81 1.57 -1.18 0.00 116.57 117.99 3koc h LYS 118 Ca -0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3koc h LYS 118 Cb 1.53 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 3koc h LYS 118 CO 0.17 0.21 0.11 0.82 -0.57 0.00 0.00 179.45 180.19 3koc h ILE 119 N 0.33 1.16 -0.19 1.86 2.04 -1.01 -1.85 117.51 119.84 3koc h ILE 119 Ca 0.47 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3koc h ILE 119 Cb 0.83 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3koc h ILE 119 CO -0.52 0.16 -0.04 0.40 0.00 0.00 0.00 178.15 178.15 3koc h ILE 120 N 0.26 1.15 0.56 -0.67 1.08 -0.04 0.13 117.51 119.97 3koc h ILE 120 Ca 0.08 -0.61 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 3koc h ILE 120 Cb 0.15 1.06 0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3koc h ILE 120 CO -0.01 0.20 -0.27 0.44 -0.69 0.00 0.00 178.15 177.82 3koc h ASP 121 N 0.28 -0.63 -1.00 1.72 5.19 -0.86 -2.08 116.42 119.04 3koc h ASP 121 Ca 0.06 -0.04 0.18 0.00 -0.62 0.00 0.00 57.03 56.61 3koc h ASP 121 Cb 0.26 0.16 -0.10 0.00 0.18 0.00 0.00 39.33 39.84 3koc h ASP 121 CO 0.01 -0.33 0.62 -0.08 -3.12 0.00 0.00 179.24 176.34 3koc h GLU 122 N -0.94 0.74 -0.19 3.56 4.57 -0.88 0.49 114.58 121.93 3koc h GLU 122 Ca -0.08 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.11 3koc h GLU 122 Cb 0.63 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3koc h GLU 122 CO 0.13 0.49 -0.14 0.74 -1.18 0.00 0.00 179.01 179.05 3koc h PHE 123 N 0.77 -0.34 0.11 0.92 0.04 -0.70 0.11 116.94 117.85 3koc h PHE 123 Ca 0.56 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.35 3koc h PHE 123 Cb 0.87 0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3koc h PHE 123 CO -0.00 -0.20 -0.05 0.87 -0.60 0.00 0.00 178.31 178.32 3koc h LYS 124 N -0.14 -0.14 -0.40 1.51 1.57 0.05 -2.75 116.57 116.28 3koc h LYS 124 Ca 0.11 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 3koc h LYS 124 Cb 0.30 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.55 3koc h LYS 124 CO -0.27 0.08 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.12 3koc h LYS 125 N -0.34 -0.26 0.00 3.15 3.64 -0.13 -2.66 116.57 119.97 3koc h LYS 125 Ca -0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3koc h LYS 125 Cb 0.28 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3koc h LYS 125 CO 0.02 -0.17 0.00 1.04 -2.27 0.00 0.00 179.45 178.07 3koc n GLN 126 N -5.42 0.85 0.00 1.90 6.02 0.38 -4.76 117.38 116.36 3koc n GLN 126 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3koc n GLN 126 Cb 0.34 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3koc n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3koc n TYR 127 N -0.99 0.00 -3.59 1.08 9.36 -1.01 -5.06 117.16 116.94 3koc n TYR 127 Ca 0.20 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 61.05 3koc n TYR 127 Cb 0.09 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.74 3koc n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3koc s ASN 128 N 1.00 6.61 0.38 2.98 3.84 -1.25 -4.95 114.94 123.55 3koc s ASN 128 Ca 0.00 0.72 0.24 0.00 0.21 0.00 0.00 52.86 54.03 3koc s ASN 128 Cb 0.00 -2.19 0.48 0.00 -0.55 0.00 0.00 41.25 38.98 3koc s ASN 128 CO 0.00 0.27 1.66 -2.24 -2.79 0.00 0.00 177.10 174.00 3koc h ASP 129 N 5.38 0.00 -0.43 -4.21 -0.00 -1.89 -2.80 116.42 112.46 3koc h ASP 129 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 3koc h ASP 129 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 3koc h ASP 129 CO 0.65 0.00 0.00 -0.67 -0.00 0.00 0.00 179.24 179.22 3koc n ASP 130 N -2.88 3.10 -0.62 4.15 2.03 -1.26 -4.04 116.55 117.04 3koc n ASP 130 Ca 0.04 -1.95 0.07 0.00 0.52 0.00 0.00 54.79 53.48 3koc n ASP 130 Cb 0.50 -0.28 0.09 0.00 -0.72 0.00 0.00 41.12 40.70 3koc n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3koc n LYS 131 N 1.23 1.33 -3.93 -0.67 4.76 -1.06 -4.94 118.16 114.89 3koc n LYS 131 Ca 0.19 -1.51 -0.35 0.00 -2.87 0.00 0.00 58.31 53.77 3koc n LYS 131 Cb 0.53 -1.29 -0.14 0.00 -1.84 0.00 0.00 35.03 32.29 3koc n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3koc s ILE 132 N -1.16 3.19 0.29 -0.18 -1.09 -1.26 -2.30 121.20 118.70 3koc s ILE 132 Ca 0.19 -0.61 0.09 0.00 -2.23 0.00 0.00 60.65 58.09 3koc s ILE 132 Cb 0.13 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 3koc s ILE 132 CO 0.18 0.39 0.05 -0.54 -1.23 0.00 0.00 174.94 173.80 3koc s LYS 133 N 1.44 2.35 0.00 2.79 -0.14 0.59 -5.00 119.74 121.77 3koc s LYS 133 Ca 0.05 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.22 3koc s LYS 133 Cb -0.14 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 3koc s LYS 133 CO -0.04 0.29 0.00 0.44 -0.76 0.00 0.00 175.35 175.27 3koc n ILE 134 N -0.99 0.00 -4.28 2.17 -5.35 -1.26 -0.58 119.36 109.08 3koc n ILE 134 Ca -0.05 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.24 3koc n ILE 134 Cb 0.60 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.41 3koc n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3koc s GLY 135 N -0.81 2.26 -0.39 3.28 0.00 -1.24 -4.73 107.32 105.69 3koc s GLY 135 Ca 0.00 -2.04 -0.29 0.00 0.00 0.00 0.00 44.72 42.39 3koc s GLY 135 CO 0.00 -1.46 1.19 0.54 0.00 0.00 0.00 173.10 173.36 3koc s LYS 136 N -3.50 3.84 0.12 2.90 -0.14 -1.26 -4.92 119.74 116.78 3koc s LYS 136 Ca 0.41 0.89 -0.31 0.00 -1.36 0.00 0.00 55.97 55.60 3koc s LYS 136 Cb 0.03 -3.87 -0.09 0.00 -1.68 0.00 0.00 37.83 32.22 3koc s LYS 136 CO 0.26 -1.22 1.57 0.35 -0.76 0.00 0.00 175.35 175.56 3koc h PHE 137 N 9.10 -1.33 -0.82 3.18 3.57 -1.98 -1.63 116.94 127.03 3koc h PHE 137 Ca -0.23 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.32 3koc h PHE 137 Cb 1.07 0.59 -0.04 0.00 2.79 0.00 0.00 35.95 40.36 3koc h PHE 137 CO 0.92 -0.52 0.54 0.78 -2.23 0.00 0.00 178.31 177.80 3koc h GLY 138 N -0.58 1.16 -1.55 2.40 0.00 -1.98 -3.48 103.07 99.05 3koc h GLY 138 Ca 0.05 -0.43 -0.46 0.00 0.00 0.00 0.00 47.33 46.50 3koc h GLY 138 CO -0.37 0.41 0.10 -1.31 0.00 0.00 0.00 176.54 175.38 3koc s ASN 139 N -5.93 5.23 0.15 0.19 0.02 -0.61 -5.04 114.94 108.94 3koc s ASN 139 Ca -0.13 0.35 -0.30 0.00 -1.02 0.00 0.00 52.86 51.76 3koc s ASN 139 Cb 0.16 -1.21 -0.07 0.00 0.02 0.00 0.00 41.25 40.15 3koc s ASN 139 CO 0.79 -1.25 1.13 -0.47 0.02 0.00 0.00 177.10 177.32 3koc s TYR 140 N -2.97 3.54 0.11 2.20 5.04 -1.26 -4.89 117.35 119.11 3koc s TYR 140 Ca 0.57 1.52 0.03 0.00 -2.44 0.00 0.00 57.07 56.75 3koc s TYR 140 Cb -0.10 -3.32 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 3koc s TYR 140 CO 0.42 -0.80 -0.09 -1.64 -1.34 0.00 0.00 175.55 172.10 3koc s MET 141 N -0.04 0.88 -0.16 4.97 -1.94 -1.26 -4.30 119.30 117.45 3koc s MET 141 Ca 0.52 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 3koc s MET 141 Cb -0.30 -0.47 0.03 0.00 2.01 0.00 0.00 34.83 36.11 3koc s MET 141 CO 0.34 0.06 -0.10 1.21 -0.01 0.00 0.00 175.02 176.52 3koc s ASN 142 N -2.70 2.80 -0.22 3.03 2.47 0.39 -4.98 114.94 115.73 3koc s ASN 142 Ca 0.09 -0.59 0.02 0.00 0.42 0.00 0.00 52.86 52.79 3koc s ASN 142 Cb -0.00 -1.07 0.05 0.00 -1.45 0.00 0.00 41.25 38.78 3koc s ASN 142 CO -0.01 -0.12 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.51 3koc s ILE 143 N 1.54 1.86 -0.13 -5.21 1.01 -1.26 -0.81 121.20 118.19 3koc s ILE 143 Ca 0.02 -1.22 -0.23 0.00 0.00 0.00 0.00 60.65 59.22 3koc s ILE 143 Cb -0.14 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3koc s ILE 143 CO -0.09 0.13 0.73 -1.81 0.00 0.00 0.00 174.94 173.90 3koc s ASP 144 N 1.29 6.91 -0.12 3.58 1.01 -0.55 -4.92 116.67 123.87 3koc s ASP 144 Ca -0.03 1.10 -0.01 0.00 0.71 0.00 0.00 52.55 54.32 3koc s ASP 144 Cb -0.17 -2.41 0.03 0.00 1.01 0.00 0.00 42.92 41.37 3koc s ASP 144 CO -0.08 -0.26 -0.06 -0.69 0.21 0.00 0.00 175.17 174.30 3koc s VAL 145 N 1.56 0.91 -0.76 -1.27 1.01 -1.26 -1.19 120.40 119.39 3koc s VAL 145 Ca 0.36 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3koc s VAL 145 Cb -0.17 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.32 3koc s VAL 145 CO 0.14 0.29 0.97 -0.89 0.00 0.00 0.00 175.10 175.61 3koc s THR 146 N 1.75 4.65 0.04 3.92 2.01 -0.63 -5.01 115.64 122.36 3koc s THR 146 Ca 0.04 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.65 3koc s THR 146 Cb -0.13 -4.67 -0.06 0.00 0.01 0.00 0.00 72.50 67.65 3koc s THR 146 CO -0.08 -1.39 1.31 0.20 -0.69 0.00 0.00 174.62 173.97 3koc s ASN 147 N 3.58 6.94 -1.00 3.53 0.01 -1.26 -0.75 114.94 125.99 3koc s ASN 147 Ca 0.24 2.09 -0.04 0.00 -0.71 0.00 0.00 52.86 54.43 3koc s ASN 147 Cb -0.13 -2.57 0.27 0.00 0.41 0.00 0.00 41.25 39.23 3koc s ASN 147 CO 0.00 -0.61 1.09 -0.67 -1.51 0.00 0.00 177.10 175.41 3koc n ASP 148 N 4.60 5.24 0.00 -1.22 2.03 -0.19 -4.63 116.55 122.39 3koc n ASP 148 Ca 0.11 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.22 3koc n ASP 148 Cb 0.45 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 3koc n ASP 148 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koc n GLY 149 N 2.03 0.23 3.80 0.27 0.00 -1.26 -4.08 105.19 106.18 3koc n GLY 149 Ca 0.24 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 3koc n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3koc s PRO 150 N 0.00 1.83 -0.19 1.61 0.04 -1.26 -5.16 135.00 131.87 3koc s PRO 150 Ca 0.00 0.56 -0.02 0.00 0.04 0.00 0.00 61.00 61.58 3koc s PRO 150 Cb 0.00 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.70 3koc s PRO 150 CO 0.00 -1.78 0.02 0.08 0.04 0.00 0.00 177.00 175.36 3koc s VAL 151 N -3.18 0.65 -0.05 -0.36 1.01 -1.26 -5.03 120.40 112.18 3koc s VAL 151 Ca 0.62 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3koc s VAL 151 Cb -0.15 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3koc s VAL 151 CO 0.54 -0.15 -0.22 -0.89 0.00 0.00 0.00 175.10 174.38 3koc s THR 152 N 1.81 2.38 -0.04 3.92 2.01 -1.26 -0.92 115.64 123.53 3koc s THR 152 Ca -0.01 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.03 3koc s THR 152 Cb -0.17 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.49 3koc s THR 152 CO -0.08 0.58 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.78 3koc s ILE 153 N -0.43 0.37 -0.06 1.82 -1.09 0.19 -4.98 121.20 117.03 3koc s ILE 153 Ca 0.04 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.47 3koc s ILE 153 Cb -0.12 -0.44 -0.03 0.00 -1.58 0.00 0.00 42.46 40.29 3koc s ILE 153 CO 0.01 0.20 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.38 3koc s TYR 154 N 1.10 2.92 -0.06 3.97 6.14 -1.26 -0.94 117.35 129.21 3koc s TYR 154 Ca -0.08 0.01 -0.02 0.00 0.64 0.00 0.00 57.07 57.61 3koc s TYR 154 Cb -0.14 -1.69 0.04 0.00 0.42 0.00 0.00 41.96 40.59 3koc s TYR 154 CO -0.01 0.33 0.12 0.42 0.64 0.00 0.00 175.55 177.05 3koc s ILE 155 N -0.83 -0.09 -0.21 3.14 1.01 -0.84 -5.03 121.20 118.36 3koc s ILE 155 Ca 0.13 0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.02 3koc s ILE 155 Cb -0.11 -0.21 0.04 0.00 0.01 0.00 0.00 42.46 42.19 3koc s ILE 155 CO 0.02 0.09 -0.14 -0.62 0.00 0.00 0.00 174.94 174.29 3koc s ASP 156 N 1.37 3.65 0.57 3.58 -1.08 -1.26 -1.48 116.67 122.02 3koc s ASP 156 Ca -0.07 -0.97 0.28 0.00 -0.52 0.00 0.00 52.55 51.27 3koc s ASP 156 Cb -0.12 -1.43 1.68 0.00 -1.46 0.00 0.00 42.92 41.59 3koc s ASP 156 CO -0.05 -0.11 2.20 0.71 0.52 0.00 0.00 175.17 178.44 3koc h THR 157 N 6.36 0.59 0.00 1.71 1.35 -1.03 -1.82 112.91 120.07 3koc h THR 157 Ca -0.31 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3koc h THR 157 Cb 1.09 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3koc h THR 157 CO 0.53 0.03 0.00 1.41 -0.25 0.00 0.00 175.52 177.24 3koc n HIS 158 N -3.88 0.00 1.23 4.73 8.25 -1.26 -0.23 115.22 124.06 3koc n HIS 158 Ca -0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.57 3koc n HIS 158 Cb 0.12 -0.21 0.51 0.00 1.12 0.00 0.00 29.99 31.53 3koc n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3koc n ASP 159 N -1.21 0.45 0.00 0.41 8.00 -0.69 -5.13 116.55 118.38 3koc n ASP 159 Ca 0.09 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3koc n ASP 159 Cb 0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3koc n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43