#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjg n SER 2 N 0.00 -0.02 0.00 7.83 7.64 -1.26 -5.05 113.62 122.76 2kjg n SER 2 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2kjg n SER 2 Cb 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2kjg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kjg n ILE 3 N -2.55 0.00 0.43 0.44 3.06 -1.26 -4.94 119.36 114.54 2kjg n ILE 3 Ca 0.00 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.33 2kjg n ILE 3 Cb 0.00 0.00 0.34 0.00 0.54 0.00 0.00 39.64 40.52 2kjg n ILE 3 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kjg n LEU 4 N 0.00 0.20 0.21 9.51 4.77 -1.26 -1.07 117.00 129.36 2kjg n LEU 4 Ca 0.00 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2kjg n LEU 4 Cb 0.00 -0.53 0.54 0.00 -2.33 0.00 0.00 43.42 41.10 2kjg n LEU 4 CO 0.00 -0.37 1.00 -0.33 -1.33 0.00 0.00 177.39 176.35 2kjg h GLU 5 N 0.00 0.07 -6.51 3.23 3.07 -2.01 -3.45 114.58 108.98 2kjg h GLU 5 Ca 0.00 -0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 58.32 2kjg h GLU 5 Cb 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2kjg h GLU 5 CO 0.00 0.14 0.41 0.34 -1.40 0.00 0.00 179.01 178.50 2kjg s ASP 6 N -6.99 7.35 0.28 1.42 2.15 -0.23 -4.97 116.67 115.68 2kjg s ASP 6 Ca -0.05 1.83 0.08 0.00 0.43 0.00 0.00 52.55 54.84 2kjg s ASP 6 Cb 0.16 -2.58 0.40 0.00 -0.30 0.00 0.00 42.92 40.60 2kjg s ASP 6 CO 0.69 -0.22 1.65 -0.65 -0.17 0.00 0.00 175.17 176.47 2kjg h PRO 7 N 6.12 0.12 -0.04 4.34 0.11 -1.88 -2.62 132.00 138.15 2kjg h PRO 7 Ca -0.42 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 2kjg h PRO 7 Cb 1.21 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2kjg h PRO 7 CO 0.74 0.63 -0.93 0.93 -0.21 0.00 0.00 178.00 179.16 2kjg h GLU 8 N 0.10 0.61 -0.63 1.05 4.39 -1.96 -2.25 114.58 115.89 2kjg h GLU 8 Ca -0.00 -0.61 -0.06 0.00 0.34 0.00 0.00 59.36 59.04 2kjg h GLU 8 Cb 0.97 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 2kjg h GLU 8 CO 0.08 1.22 0.17 0.35 -1.16 0.00 0.00 179.01 179.66 2kjg h PHE 9 N 0.37 1.01 -0.19 4.33 3.57 -1.88 -2.12 116.94 122.02 2kjg h PHE 9 Ca -0.09 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 2kjg h PHE 9 Cb 1.57 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2kjg h PHE 9 CO 0.08 0.82 -0.28 -0.24 -2.23 0.00 0.00 178.31 176.47 2kjg h VAL 10 N 0.94 1.26 -0.73 1.41 3.04 -1.34 -1.52 116.25 119.31 2kjg h VAL 10 Ca 0.20 -1.26 0.04 0.00 -1.01 0.00 0.00 66.70 64.67 2kjg h VAL 10 Cb 0.31 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 30.96 2kjg h VAL 10 CO -0.00 0.39 0.45 0.11 -1.01 0.00 0.00 177.57 177.51 2kjg h LYS 11 N 0.33 0.84 -0.80 4.17 1.79 -0.82 -2.03 116.57 120.05 2kjg h LYS 11 Ca 0.05 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2kjg h LYS 11 Cb 0.66 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2kjg h LYS 11 CO 0.05 0.56 0.48 -0.07 -1.08 0.00 0.00 179.45 179.39 2kjg h LEU 12 N 0.87 0.96 -0.78 2.94 3.38 -0.73 0.12 115.31 122.06 2kjg h LEU 12 Ca 0.30 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2kjg h LEU 12 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2kjg h LEU 12 CO -0.13 0.73 0.51 0.03 0.09 0.00 0.00 178.44 179.68 2kjg h ARG 13 N 1.10 1.03 -0.16 1.13 2.47 -0.63 0.31 114.38 119.64 2kjg h ARG 13 Ca 0.29 -0.07 -0.20 0.00 -1.26 0.00 0.00 59.98 58.74 2kjg h ARG 13 Cb -0.05 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.04 2kjg h ARG 13 CO -0.05 0.69 -0.70 1.96 0.56 0.00 0.00 179.97 182.42 2kjg h GLN 14 N 1.06 0.67 -0.67 0.04 4.20 -0.82 -3.09 115.11 116.49 2kjg h GLN 14 Ca 0.29 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 2kjg h GLN 14 Cb -0.11 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2kjg h GLN 14 CO -0.06 1.13 0.25 0.35 -0.67 0.00 0.00 178.83 179.83 2kjg h PHE 15 N 0.47 1.03 0.00 2.96 3.57 -0.31 -3.47 116.94 121.20 2kjg h PHE 15 Ca -0.03 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2kjg h PHE 15 Cb 1.30 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2kjg h PHE 15 CO 0.07 0.81 0.00 1.17 -2.23 0.00 0.00 178.31 178.13 2kjg n LYS 16 N -4.38 0.00 -3.04 1.11 3.00 0.11 -4.43 118.16 110.52 2kjg n LYS 16 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.40 2kjg n LYS 16 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.22 2kjg n LYS 16 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kjg s GLY 17 N 0.00 -1.09 -0.33 3.14 0.00 -1.26 -3.68 107.32 104.10 2kjg s GLY 17 Ca 0.00 1.94 0.09 0.00 0.00 0.00 0.00 44.72 46.75 2kjg s GLY 17 CO 0.00 4.20 1.69 0.28 0.00 0.00 0.00 173.10 179.26 2kjg n LYS 18 N 4.67 2.72 -4.40 2.90 5.02 -1.26 -4.95 118.16 122.87 2kjg n LYS 18 Ca 0.09 -3.07 -0.20 0.00 -2.02 0.00 0.00 58.31 53.11 2kjg n LYS 18 Cb 0.60 -2.04 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 2kjg n LYS 18 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2kjg s VAL 19 N -3.12 1.15 -0.13 -0.18 -7.23 -1.26 -4.94 120.40 104.68 2kjg s VAL 19 Ca 0.51 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 2kjg s VAL 19 Cb 0.43 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 2kjg s VAL 19 CO 0.08 -0.14 1.25 0.21 -0.31 0.00 0.00 175.10 176.19 2kjg s ASN 20 N -3.41 6.97 0.31 4.85 3.84 -1.26 -4.90 114.94 121.34 2kjg s ASN 20 Ca 0.33 1.73 0.04 0.00 0.21 0.00 0.00 52.86 55.17 2kjg s ASN 20 Cb 0.07 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.88 2kjg s ASN 20 CO 0.13 -0.71 1.84 0.15 -2.79 0.00 0.00 177.10 175.72 2kjg h PHE 21 N 7.98 1.04 -0.02 0.43 3.57 -1.96 -1.67 116.94 126.32 2kjg h PHE 21 Ca -0.29 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.06 2kjg h PHE 21 Cb 1.12 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2kjg h PHE 21 CO 0.78 0.38 -0.82 -0.91 -2.23 0.00 0.00 178.31 175.52 2kjg h ASN 22 N 0.88 0.29 0.31 0.41 2.35 -1.99 -1.57 115.58 116.26 2kjg h ASN 22 Ca 0.49 -0.22 -0.24 0.00 -0.55 0.00 0.00 56.30 55.78 2kjg h ASN 22 Cb 0.61 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.90 2kjg h ASN 22 CO -0.26 0.98 -1.02 0.25 -1.65 0.00 0.00 177.43 175.73 2kjg h LEU 23 N 0.14 0.61 -0.52 1.61 5.85 -1.82 -0.72 115.31 120.45 2kjg h LEU 23 Ca -0.04 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 2kjg h LEU 23 Cb 1.41 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2kjg h LEU 23 CO 0.13 1.32 0.10 0.58 -0.34 0.00 0.00 178.44 180.22 2kjg h VAL 24 N 0.24 1.25 -0.90 1.05 2.07 -1.17 0.27 116.25 119.06 2kjg h VAL 24 Ca -0.10 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.53 2kjg h VAL 24 Cb 1.67 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 2kjg h VAL 24 CO 0.18 0.33 0.58 -0.03 0.02 0.00 0.00 177.57 178.65 2kjg h MET 25 N 0.74 1.08 -0.44 1.57 1.85 -1.18 0.49 114.93 119.04 2kjg h MET 25 Ca 0.16 -0.07 -0.14 0.00 -0.61 0.00 0.00 59.70 59.04 2kjg h MET 25 Cb 0.38 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 2kjg h MET 25 CO 0.01 0.72 -0.29 0.37 -0.40 0.00 0.00 176.91 177.31 2kjg h GLN 26 N 1.11 0.97 -0.04 0.39 4.15 -0.52 -0.49 115.11 120.68 2kjg h GLN 26 Ca 0.36 -0.46 0.02 0.00 0.77 0.00 0.00 58.65 59.35 2kjg h GLN 26 Cb 0.03 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2kjg h GLN 26 CO -0.13 1.12 -0.09 0.82 -1.93 0.00 0.00 178.83 178.62 2kjg h ILE 27 N 0.82 0.75 -0.64 2.39 1.08 0.53 0.32 117.51 122.75 2kjg h ILE 27 Ca 0.09 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.52 2kjg h ILE 27 Cb 0.88 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 2kjg h ILE 27 CO 0.08 0.00 0.24 -0.07 -0.69 0.00 0.00 178.15 177.71 2kjg h LEU 28 N -0.14 0.88 -0.06 1.44 3.38 -0.88 -1.10 115.31 118.83 2kjg h LEU 28 Ca 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kjg h LEU 28 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kjg h LEU 28 CO -0.13 0.80 -0.00 -0.78 0.09 0.00 0.00 178.44 178.42 2kjg h ASP 29 N 0.94 0.10 -0.66 -0.43 3.58 -0.66 -1.07 116.42 118.21 2kjg h ASP 29 Ca 0.22 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 2kjg h ASP 29 Cb 0.21 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2kjg h ASP 29 CO -0.02 0.40 0.18 -0.08 -2.88 0.00 0.00 179.24 176.85 2kjg h GLU 30 N -0.20 1.04 -0.10 0.28 4.81 -0.08 0.10 114.58 120.44 2kjg h GLU 30 Ca 0.02 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 2kjg h GLU 30 Cb 0.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2kjg h GLU 30 CO 0.00 0.92 -0.68 -0.84 -0.73 0.00 0.00 179.01 177.68 2kjg h ILE 31 N 0.97 1.36 0.44 2.32 3.07 -1.24 -2.84 117.51 121.60 2kjg h ILE 31 Ca 0.21 -2.05 -0.02 0.00 1.55 0.00 0.00 64.86 64.55 2kjg h ILE 31 Cb 0.33 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 2kjg h ILE 31 CO -0.00 0.62 -0.21 -0.08 -1.05 0.00 0.00 178.15 177.42 2kjg h GLU 32 N 0.30 -0.57 -0.41 0.16 4.81 -0.46 0.19 114.58 118.59 2kjg h GLU 32 Ca -0.02 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2kjg h GLU 32 Cb 1.24 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 2kjg h GLU 32 CO 0.12 -0.36 0.14 1.37 -0.73 0.00 0.00 179.01 179.56 2kjg h LEU 33 N -0.64 0.54 -0.01 1.64 8.10 -0.89 -2.38 115.31 121.66 2kjg h LEU 33 Ca -0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 57.88 57.83 2kjg h LEU 33 Cb 0.48 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 2kjg h LEU 33 CO 0.10 0.51 -0.14 -0.78 -4.11 0.00 0.00 178.44 174.01 2kjg h ASP 34 N 0.59 0.14 -0.72 0.17 3.58 -1.28 -3.27 116.42 115.62 2kjg h ASP 34 Ca 0.14 -0.76 0.11 0.00 0.42 0.00 0.00 57.03 56.95 2kjg h ASP 34 Cb 0.15 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 2kjg h ASP 34 CO -0.01 0.88 0.48 0.25 -2.88 0.00 0.00 179.24 177.95 2kjg h LEU 35 N -0.59 0.48 -0.39 2.28 5.85 -0.47 0.97 115.31 123.44 2kjg h LEU 35 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kjg h LEU 35 Cb 0.89 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2kjg h LEU 35 CO 0.03 0.28 0.00 0.54 -0.34 0.00 0.00 178.44 178.94 2kjg n ARG 36 N -4.49 0.07 -0.62 1.25 1.74 -0.91 -1.76 116.66 111.95 2kjg n ARG 36 Ca 0.13 0.40 0.04 0.00 -0.77 0.00 0.00 57.85 57.64 2kjg n ARG 36 Cb 0.41 -1.66 0.06 0.00 -1.02 0.00 0.00 32.46 30.24 2kjg n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kjg n GLY 37 N -0.48 2.17 3.46 -0.13 0.00 0.21 -5.07 105.19 105.34 2kjg n GLY 37 Ca 0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 2kjg n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kjg s SER 38 N -1.90 2.37 -0.20 1.61 0.15 -0.46 -5.06 113.70 110.21 2kjg s SER 38 Ca 0.19 -1.46 -0.06 0.00 0.70 0.00 0.00 55.95 55.32 2kjg s SER 38 Cb 0.19 0.12 -0.20 0.00 -1.71 0.00 0.00 66.02 64.41 2kjg s SER 38 CO -0.04 -0.72 0.04 -0.67 1.20 0.00 0.00 173.24 173.06 2kjg n ASP 39 N -0.84 2.03 -4.14 5.45 2.03 -1.26 -4.87 116.55 114.95 2kjg n ASP 39 Ca -0.03 0.11 -0.31 0.00 0.52 0.00 0.00 54.79 55.08 2kjg n ASP 39 Cb 0.66 -0.69 -0.17 0.00 -0.72 0.00 0.00 41.12 40.20 2kjg n ASP 39 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kjg s ASN 40 N -6.87 2.83 0.31 1.67 0.01 -1.26 -5.00 114.94 106.63 2kjg s ASN 40 Ca -0.30 -0.52 0.08 0.00 -0.71 0.00 0.00 52.86 51.41 2kjg s ASN 40 Cb 0.08 -1.30 0.52 0.00 0.41 0.00 0.00 41.25 40.96 2kjg s ASN 40 CO 0.66 0.08 1.73 -0.29 -1.51 0.00 0.00 177.10 177.77 2kjg h ILE 41 N 5.84 1.30 -0.24 0.60 2.10 -1.93 -2.37 117.51 122.81 2kjg h ILE 41 Ca -0.28 -1.47 -0.03 0.00 1.08 0.00 0.00 64.86 64.16 2kjg h ILE 41 Cb 1.20 1.69 -0.01 0.00 -1.09 0.00 0.00 36.82 38.61 2kjg h ILE 41 CO 0.51 0.44 0.01 0.07 -1.08 0.00 0.00 178.15 178.10 2kjg h LYS 42 N 0.15 0.36 -0.28 2.19 2.10 -1.96 0.15 116.57 119.28 2kjg h LYS 42 Ca 0.01 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 58.51 2kjg h LYS 42 Cb 0.78 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2kjg h LYS 42 CO 0.06 0.37 -0.21 1.15 -2.00 0.00 0.00 179.45 178.83 2kjg h THR 43 N 0.35 1.30 -0.78 0.07 2.02 -1.87 -2.28 112.91 111.72 2kjg h THR 43 Ca 0.08 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2kjg h THR 43 Cb 0.21 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2kjg h THR 43 CO 0.00 0.43 0.50 0.28 0.37 0.00 0.00 175.52 177.10 2kjg h SER 44 N 0.38 0.92 -0.27 4.18 0.02 -0.85 -2.15 113.55 115.78 2kjg h SER 44 Ca 0.05 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2kjg h SER 44 Cb 0.75 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2kjg h SER 44 CO 0.06 0.69 0.01 0.40 -1.14 0.00 0.00 176.83 176.84 2kjg h ILE 45 N 1.07 0.81 -0.54 3.27 1.08 -0.49 -2.95 117.51 119.77 2kjg h ILE 45 Ca 0.28 -0.03 0.10 0.00 -0.39 0.00 0.00 64.86 64.82 2kjg h ILE 45 Cb -0.08 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 34.30 2kjg h ILE 45 CO -0.06 0.02 0.08 0.40 -0.69 0.00 0.00 178.15 177.90 2kjg h ILE 46 N 0.09 0.65 0.29 -0.67 2.04 -0.81 0.51 117.51 119.62 2kjg h ILE 46 Ca 0.13 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2kjg h ILE 46 Cb 0.16 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2kjg h ILE 46 CO -0.21 0.04 -0.14 1.88 0.00 0.00 0.00 178.15 179.72 2kjg h TYR 47 N 0.21 -0.36 -0.43 1.37 0.05 -1.40 -1.34 116.97 115.07 2kjg h TYR 47 Ca 0.28 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 2kjg h TYR 47 Cb 0.41 0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2kjg h TYR 47 CO -0.26 -0.16 0.06 0.28 -1.05 0.00 0.00 178.16 177.03 2kjg h VAL 48 N -0.48 1.25 -0.24 -2.88 2.07 -1.33 -0.46 116.25 114.18 2kjg h VAL 48 Ca -0.04 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 2kjg h VAL 48 Cb 0.36 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2kjg h VAL 48 CO 0.07 0.31 -0.26 1.88 0.02 0.00 0.00 177.57 179.59 2kjg h TYR 49 N 0.57 0.52 0.00 1.57 -1.99 -0.89 -0.02 116.97 116.73 2kjg h TYR 49 Ca 0.13 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 2kjg h TYR 49 Cb 0.39 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2kjg h TYR 49 CO 0.03 0.68 -0.17 0.77 -0.00 0.00 0.00 178.16 179.47 2kjg h SER 50 N 0.41 0.00 0.01 3.88 0.02 -0.90 -2.55 113.55 114.42 2kjg h SER 50 Ca 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2kjg h SER 50 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2kjg h SER 50 CO 0.05 0.17 -0.11 -1.28 -1.14 0.00 0.00 176.83 174.52 2kjg h SER 51 N 0.00 0.08 -1.46 3.07 0.87 -0.45 -3.35 113.55 112.31 2kjg h SER 51 Ca -0.00 -0.89 -0.69 0.00 -1.23 0.00 0.00 61.79 58.98 2kjg h SER 51 Cb 1.01 -0.02 -0.32 0.00 -0.44 0.00 0.00 62.40 62.63 2kjg h SER 51 CO 0.02 0.96 0.55 1.41 -0.53 0.00 0.00 176.83 179.24 2kjg n HIS 52 N -4.58 3.10 -0.30 2.24 8.25 -0.08 -4.79 115.22 119.06 2kjg n HIS 52 Ca -0.10 -2.66 0.13 0.00 -0.26 0.00 0.00 57.72 54.83 2kjg n HIS 52 Cb 0.48 -1.03 0.29 0.00 1.12 0.00 0.00 29.99 30.85 2kjg n HIS 52 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2kjg h LEU 53 N 2.52 0.15 -0.21 2.41 3.38 -1.60 -2.77 115.31 119.19 2kjg h LEU 53 Ca 0.52 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.72 2kjg h LEU 53 Cb 0.58 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2kjg h LEU 53 CO 1.34 -0.08 -0.15 -0.78 0.09 0.00 0.00 178.44 178.85 2kjg h ASP 54 N 0.29 -0.50 0.48 -0.43 3.58 -1.87 0.35 116.42 118.33 2kjg h ASP 54 Ca 0.55 0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.93 2kjg h ASP 54 Cb 1.07 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 2kjg h ASP 54 CO -0.59 -0.19 -0.74 -0.08 -2.88 0.00 0.00 179.24 174.76 2kjg h GLU 55 N -0.15 0.21 -0.47 0.28 4.57 -1.90 0.12 114.58 117.24 2kjg h GLU 55 Ca 0.12 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2kjg h GLU 55 Cb 0.34 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2kjg h GLU 55 CO -0.30 0.86 0.13 0.82 -1.18 0.00 0.00 179.01 179.34 2kjg h ILE 56 N 0.14 1.19 0.07 2.32 1.08 -1.27 0.09 117.51 121.13 2kjg h ILE 56 Ca -0.02 -0.67 -0.18 0.00 -0.39 0.00 0.00 64.86 63.59 2kjg h ILE 56 Cb 1.30 0.70 0.02 0.00 -3.07 0.00 0.00 36.82 35.77 2kjg h ILE 56 CO 0.11 0.25 -0.75 -0.09 -0.69 0.00 0.00 178.15 176.98 2kjg h ARG 57 N 0.67 0.39 -0.36 2.37 2.43 0.10 -2.35 114.38 117.64 2kjg h ARG 57 Ca 0.16 -0.51 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2kjg h ARG 57 Cb 0.22 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2kjg h ARG 57 CO -0.01 1.19 0.21 0.87 -1.51 0.00 0.00 179.97 180.72 2kjg h LYS 58 N -0.17 0.48 -2.25 0.20 1.57 -0.47 -3.26 116.57 112.67 2kjg h LYS 58 Ca -0.11 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.04 2kjg h LYS 58 Cb 1.50 -0.10 -0.42 0.00 0.08 0.00 0.00 32.23 33.29 2kjg h LYS 58 CO 0.14 0.37 -0.70 0.09 -0.57 0.00 0.00 179.45 178.78 2kjg n ASN 59 N -4.80 4.05 0.27 0.86 3.02 -0.01 -4.82 115.26 113.83 2kjg n ASN 59 Ca -0.00 -3.60 0.15 0.00 -0.03 0.00 0.00 54.58 51.09 2kjg n ASN 59 Cb 0.06 -0.57 0.74 0.00 -0.61 0.00 0.00 39.78 39.39 2kjg n ASN 59 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2kjg h LYS 60 N 3.02 0.00 -0.02 3.52 5.09 -1.47 -1.31 116.57 125.40 2kjg h LYS 60 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.87 2kjg h LYS 60 Cb 0.56 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.89 2kjg h LYS 60 CO 0.78 0.10 0.01 0.93 -2.09 0.00 0.00 179.45 179.18 2kjg h GLU 61 N 0.00 0.03 -0.03 0.07 4.39 -1.88 0.29 114.58 117.45 2kjg h GLU 61 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kjg h GLU 61 Cb 0.40 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2kjg h GLU 61 CO 0.01 0.17 0.01 0.35 -1.16 0.00 0.00 179.01 178.40 2kjg h PHE 62 N -0.12 0.05 -0.16 4.33 3.57 -1.74 -1.77 116.94 121.10 2kjg h PHE 62 Ca 0.01 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2kjg h PHE 62 Cb 0.16 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2kjg h PHE 62 CO -0.02 0.18 -0.36 1.88 -2.23 0.00 0.00 178.31 177.76 2kjg h TYR 63 N -0.10 0.40 0.00 0.41 0.05 -1.27 -0.55 116.97 115.91 2kjg h TYR 63 Ca 0.01 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 2kjg h TYR 63 Cb 0.16 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.81 2kjg h TYR 63 CO -0.02 0.66 -0.00 0.22 -1.05 0.00 0.00 178.16 177.97 2kjg h ASP 64 N 0.29 -0.00 -0.10 3.88 1.82 -0.27 -1.21 116.42 120.82 2kjg h ASP 64 Ca 0.03 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2kjg h ASP 64 Cb 0.78 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 2kjg h ASP 64 CO 0.06 0.12 0.06 0.24 -1.61 0.00 0.00 179.24 178.12 2kjg h MET 65 N -0.13 0.14 -0.51 0.28 2.86 -1.10 -3.04 114.93 113.43 2kjg h MET 65 Ca -0.00 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 2kjg h MET 65 Cb 0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2kjg h MET 65 CO 0.00 0.15 -0.17 -0.84 1.06 0.00 0.00 176.91 177.11 2kjg h ILE 66 N 0.09 1.27 -1.00 -1.22 3.07 -1.11 -2.75 117.51 115.87 2kjg h ILE 66 Ca 0.04 -1.34 0.12 0.00 1.55 0.00 0.00 64.86 65.23 2kjg h ILE 66 Cb 0.05 1.05 -0.08 0.00 -0.27 0.00 0.00 36.82 37.57 2kjg h ILE 66 CO -0.01 0.47 0.63 0.00 -1.05 0.00 0.00 178.15 178.19 2kjg h ALA 67 N 0.90 1.54 0.49 0.16 0.00 -1.15 0.51 119.26 121.72 2kjg h ALA 67 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kjg h ALA 67 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kjg h ALA 67 CO 0.06 0.21 -0.23 1.49 0.00 0.00 0.00 179.25 180.77 2kjg h GLU 68 N 0.98 -0.63 -0.93 0.00 4.57 -1.43 -3.09 114.58 114.05 2kjg h GLU 68 Ca 0.50 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.72 2kjg h GLU 68 Cb 0.51 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 2kjg h GLU 68 CO -0.26 -0.35 0.58 0.82 -1.18 0.00 0.00 179.01 178.62 2kjg h ILE 69 N -0.82 1.25 -0.19 2.32 2.04 -0.94 -1.82 117.51 119.34 2kjg h ILE 69 Ca -0.07 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2kjg h ILE 69 Cb 0.57 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2kjg h ILE 69 CO 0.11 0.26 -0.07 -0.07 0.00 0.00 0.00 178.15 178.38 2kjg h LEU 70 N 1.28 -0.24 -0.11 1.44 3.38 -0.05 0.31 115.31 121.31 2kjg h LEU 70 Ca 0.34 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 2kjg h LEU 70 Cb -0.08 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kjg h LEU 70 CO -0.07 -0.09 -0.14 1.56 0.09 0.00 0.00 178.44 179.79 2kjg h GLN 71 N -0.03 0.30 -0.52 1.13 4.20 -1.41 -0.35 115.11 118.42 2kjg h GLN 71 Ca 0.10 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2kjg h GLN 71 Cb 0.18 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2kjg h GLN 71 CO -0.22 0.73 0.31 -0.09 -0.67 0.00 0.00 178.83 178.89 2kjg h ARG 72 N -0.11 0.71 0.00 1.46 2.43 -1.17 -2.88 114.38 114.81 2kjg h ARG 72 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kjg h ARG 72 Cb 0.69 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2kjg h ARG 72 CO 0.03 0.51 -0.92 0.66 -1.51 0.00 0.00 179.97 178.75 2kjg n TYR 73 N -4.68 0.42 0.18 2.20 4.02 0.11 -3.55 117.16 115.85 2kjg n TYR 73 Ca 0.03 0.12 0.02 0.00 -0.01 0.00 0.00 57.90 58.06 2kjg n TYR 73 Cb 0.06 -0.56 0.37 0.00 -0.02 0.00 0.00 39.34 39.19 2kjg n TYR 73 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2kjg h TYR 74 N 0.00 0.03 0.00 -0.72 3.20 -0.84 0.38 116.97 119.01 2kjg h TYR 74 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kjg h TYR 74 Cb 0.76 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2kjg h TYR 74 CO 0.00 0.37 0.00 0.87 -1.64 0.00 0.00 178.16 177.76 2kjg h LYS 75 N 0.02 0.00 0.00 1.82 1.57 -1.59 -2.64 116.57 115.75 2kjg h LYS 75 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2kjg h LYS 75 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 2kjg h LYS 75 CO 0.05 0.00 -2.05 1.17 -0.57 0.00 0.00 179.45 178.04 2kjg n LYS 76 N -2.69 0.57 -0.01 3.15 4.81 -0.52 -4.81 118.16 118.67 2kjg n LYS 76 Ca 0.05 0.34 -0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2kjg n LYS 76 Cb 0.48 -1.55 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 2kjg n LYS 76 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2kjg n ILE 77 N -4.32 0.08 0.00 3.15 -5.35 0.12 -5.10 119.36 107.94 2kjg n ILE 77 Ca -0.44 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2kjg n ILE 77 Cb 0.79 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2kjg n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kjg n GLY 78 N 2.68 3.51 0.28 3.28 0.00 -0.90 -4.73 105.19 109.31 2kjg n GLY 78 Ca -0.02 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 2kjg n GLY 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2kjg h ILE 79 N 0.04 1.20 -0.83 -0.61 6.09 -1.83 -1.51 117.51 120.05 2kjg h ILE 79 Ca 0.00 -0.42 0.03 0.00 -1.37 0.00 0.00 64.86 63.11 2kjg h ILE 79 Cb 0.00 0.22 -0.05 0.00 0.47 0.00 0.00 36.82 37.46 2kjg h ILE 79 CO 0.00 0.20 0.54 -0.33 -3.07 0.00 0.00 178.15 175.49 2kjg h GLU 80 N 0.95 1.02 -0.13 2.19 5.08 -1.96 0.92 114.58 122.65 2kjg h GLU 80 Ca 0.25 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2kjg h GLU 80 Cb -0.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2kjg h GLU 80 CO -0.05 0.67 0.05 -0.91 -1.00 0.00 0.00 179.01 177.78 2kjg h ASN 81 N 1.05 0.18 -0.27 1.42 4.21 -1.73 -2.14 115.58 118.30 2kjg h ASN 81 Ca 0.33 -0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 2kjg h ASN 81 Cb -0.00 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 2kjg h ASN 81 CO -0.11 0.29 0.13 0.58 -1.29 0.00 0.00 177.43 177.03 2kjg h VAL 82 N 0.06 1.15 -0.55 2.81 2.07 -0.69 -1.81 116.25 119.29 2kjg h VAL 82 Ca 0.04 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.24 2kjg h VAL 82 Cb 0.16 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2kjg h VAL 82 CO -0.00 0.15 0.15 0.78 0.02 0.00 0.00 177.57 178.67 2kjg h ASN 83 N 0.31 0.10 -0.56 0.57 2.35 -0.72 0.13 115.58 117.76 2kjg h ASN 83 Ca 0.09 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2kjg h ASN 83 Cb 0.11 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2kjg h ASN 83 CO -0.01 0.07 0.12 -0.61 -1.65 0.00 0.00 177.43 175.35 2kjg h GLN 84 N 0.31 0.91 -0.36 0.81 -0.00 -1.20 -0.86 115.11 114.73 2kjg h GLN 84 Ca 0.28 -0.23 -0.07 0.00 -0.00 0.00 0.00 58.65 58.62 2kjg h GLN 84 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 2kjg h GLN 84 CO -0.32 0.86 -0.08 -0.07 0.00 0.00 0.00 178.83 179.22 2kjg h LEU 85 N 0.81 0.59 -0.26 -2.39 3.38 -0.35 0.61 115.31 117.71 2kjg h LEU 85 Ca 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2kjg h LEU 85 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kjg h LEU 85 CO 0.01 0.71 -0.00 0.40 0.09 0.00 0.00 178.44 179.65 2kjg h ILE 86 N 0.57 1.26 -0.78 1.22 1.08 -0.40 -1.73 117.51 118.72 2kjg h ILE 86 Ca 0.11 -0.91 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 2kjg h ILE 86 Cb 0.48 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 2kjg h ILE 86 CO 0.03 0.29 0.51 -0.07 -0.69 0.00 0.00 178.15 178.22 2kjg h LEU 87 N 0.23 0.87 -1.28 1.44 3.38 -0.66 -1.25 115.31 118.05 2kjg h LEU 87 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2kjg h LEU 87 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2kjg h LEU 87 CO 0.01 0.62 -0.05 0.74 0.09 0.00 0.00 178.44 179.86 2kjg h THR 88 N 1.03 1.19 -0.34 0.22 2.02 -0.79 -2.09 112.91 114.16 2kjg h THR 88 Ca 0.30 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 2kjg h THR 88 Cb -0.08 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2kjg h THR 88 CO -0.08 0.26 -0.32 0.74 0.37 0.00 0.00 175.52 176.49 2kjg h THR 89 N 0.41 1.28 -0.00 3.16 2.02 -0.31 -2.97 112.91 116.49 2kjg h THR 89 Ca 0.09 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2kjg h THR 89 Cb 0.35 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2kjg h THR 89 CO 0.01 0.48 -0.17 2.30 0.37 0.00 0.00 175.52 178.51 2kjg n ILE 90 N -4.07 0.00 -1.68 3.11 -5.35 -0.69 -4.57 119.36 106.11 2kjg n ILE 90 Ca -0.01 -0.07 -0.39 0.00 -0.27 0.00 0.00 62.75 62.01 2kjg n ILE 90 Cb 0.49 0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 2kjg n ILE 90 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2kjg s LYS 91 N -2.56 2.54 -0.21 6.28 -0.14 -0.82 -4.56 119.74 120.28 2kjg s LYS 91 Ca 0.25 1.46 -0.27 0.00 -1.36 0.00 0.00 55.97 56.05 2kjg s LYS 91 Cb 0.20 -4.47 0.00 0.00 -1.68 0.00 0.00 37.83 31.88 2kjg s LYS 91 CO 0.51 -2.78 0.96 -1.17 -0.76 0.00 0.00 175.35 172.11 2kjg s LEU 92 N 10.31 4.12 -0.14 3.17 0.20 -1.26 -4.97 118.68 130.11 2kjg s LEU 92 Ca 0.93 1.28 -0.29 0.00 0.69 0.00 0.00 54.13 56.74 2kjg s LEU 92 Cb -0.21 -3.42 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 2kjg s LEU 92 CO 0.28 -0.57 1.70 -0.70 -0.29 0.00 0.00 176.35 176.77 2kjg s GLU 93 N 2.86 3.92 0.18 1.98 2.56 -1.26 -4.84 118.70 124.10 2kjg s GLU 93 Ca 0.41 1.96 0.24 0.00 0.00 0.00 0.00 54.97 57.59 2kjg s GLU 93 Cb -0.16 -4.05 0.37 0.00 2.00 0.00 0.00 34.13 32.30 2kjg s GLU 93 CO 0.08 -1.15 1.39 0.45 -0.56 0.00 0.00 175.26 175.47 2kjg h HIS 94 N 10.57 0.00 -4.10 5.30 3.86 -1.93 -3.44 115.15 125.41 2kjg h HIS 94 Ca -0.37 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.35 2kjg h HIS 94 Cb 1.17 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.69 2kjg h HIS 94 CO 0.91 0.00 0.39 -1.01 0.86 0.00 0.00 177.93 179.08 2kjg s HIS 95 N -3.19 2.91 -1.21 2.45 3.76 -1.26 -4.89 115.29 113.87 2kjg s HIS 95 Ca 0.06 1.56 -0.19 0.00 -0.15 0.00 0.00 55.06 56.33 2kjg s HIS 95 Cb 0.12 -3.11 -0.02 0.00 1.11 0.00 0.00 32.58 30.68 2kjg s HIS 95 CO 0.70 -1.06 1.92 1.58 -0.85 0.00 0.00 174.74 177.03 2kjg n HIS 96 N -1.27 3.42 -3.48 1.40 -0.00 -1.26 -4.74 115.22 109.29 2kjg n HIS 96 Ca 0.10 -2.28 -0.12 0.00 0.46 0.00 0.00 57.72 55.87 2kjg n HIS 96 Cb 0.52 -2.46 -0.10 0.00 -0.12 0.00 0.00 29.99 27.83 2kjg n HIS 96 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjg s HIS 97 N 6.18 -0.63 0.08 1.57 4.02 -1.26 -4.96 115.29 120.29 2kjg s HIS 97 Ca 0.58 0.81 -0.10 0.00 1.02 0.00 0.00 55.06 57.37 2kjg s HIS 97 Cb 0.06 -0.04 -0.22 0.00 -1.02 0.00 0.00 32.58 31.37 2kjg s HIS 97 CO 0.07 -0.60 1.19 0.45 1.02 0.00 0.00 174.74 176.87 2kjg h HIS 98 N 8.23 0.83 0.00 1.40 -0.00 -1.94 -3.45 115.15 120.22 2kjg h HIS 98 Ca -0.17 -0.50 0.00 0.00 -0.00 0.00 0.00 60.37 59.70 2kjg h HIS 98 Cb 1.14 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2kjg h HIS 98 CO 0.19 1.34 0.00 1.58 -0.00 0.00 0.00 177.93 181.04