#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjg s SER 2 N 0.00 1.95 0.00 6.12 0.01 -1.26 -5.03 113.70 115.49 2kjg s SER 2 Ca 0.00 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 55.48 2kjg s SER 2 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2kjg s SER 2 CO 0.00 -1.07 0.33 0.00 0.41 0.00 0.00 173.24 172.92 2kjg n ILE 3 N -0.69 0.00 0.52 1.44 0.13 -1.26 -4.93 119.36 114.56 2kjg n ILE 3 Ca 0.06 0.00 0.11 0.00 -1.10 0.00 0.00 62.75 61.82 2kjg n ILE 3 Cb 0.62 0.14 -0.09 0.00 -0.84 0.00 0.00 39.64 39.48 2kjg n ILE 3 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2kjg n LEU 4 N 0.00 0.55 0.28 9.51 4.77 -1.26 -4.15 117.00 126.70 2kjg n LEU 4 Ca 0.00 -0.17 0.19 0.00 -0.03 0.00 0.00 56.01 56.00 2kjg n LEU 4 Cb 0.52 -0.03 0.96 0.00 -2.33 0.00 0.00 43.42 42.54 2kjg n LEU 4 CO 0.00 0.09 1.06 -0.33 -1.33 0.00 0.00 177.39 176.89 2kjg h GLU 5 N 0.00 0.00 -5.45 3.23 3.07 -2.03 -3.43 114.58 109.97 2kjg h GLU 5 Ca 0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 2kjg h GLU 5 Cb 0.74 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.41 2kjg h GLU 5 CO 0.00 0.00 -0.73 0.34 -1.40 0.00 0.00 179.01 177.22 2kjg s ASP 6 N -4.96 4.34 0.62 1.42 -1.08 -1.26 -5.00 116.67 110.74 2kjg s ASP 6 Ca -0.03 -0.22 0.33 0.00 -0.52 0.00 0.00 52.55 52.11 2kjg s ASP 6 Cb 0.11 -1.58 1.88 0.00 -1.46 0.00 0.00 42.92 41.87 2kjg s ASP 6 CO 0.39 0.20 2.19 -0.65 0.52 0.00 0.00 175.17 177.82 2kjg h PRO 7 N 6.48 0.00 -0.31 4.34 0.11 -1.94 -2.55 132.00 138.12 2kjg h PRO 7 Ca -0.31 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 2kjg h PRO 7 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2kjg h PRO 7 CO 0.57 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.21 2kjg h GLU 8 N 0.00 0.52 -0.39 1.05 4.39 -1.95 -2.88 114.58 115.32 2kjg h GLU 8 Ca 0.03 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2kjg h GLU 8 Cb 0.25 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kjg h GLU 8 CO -0.00 0.61 -0.09 0.35 -1.16 0.00 0.00 179.01 178.72 2kjg h PHE 9 N 0.48 0.85 -0.32 4.33 3.57 -1.77 -2.26 116.94 121.83 2kjg h PHE 9 Ca 0.09 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 2kjg h PHE 9 Cb 0.45 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2kjg h PHE 9 CO 0.02 0.88 -0.08 -0.24 -2.23 0.00 0.00 178.31 176.66 2kjg h VAL 10 N 0.56 1.22 -0.52 1.41 3.04 -1.59 -1.48 116.25 118.89 2kjg h VAL 10 Ca 0.10 -0.94 -0.08 0.00 -1.01 0.00 0.00 66.70 64.77 2kjg h VAL 10 Cb 0.61 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 2kjg h VAL 10 CO 0.04 0.31 -0.01 0.11 -1.01 0.00 0.00 177.57 177.01 2kjg h LYS 11 N 0.49 0.89 -0.56 4.17 1.57 -1.29 0.11 116.57 121.95 2kjg h LYS 11 Ca 0.10 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2kjg h LYS 11 Cb 0.44 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2kjg h LYS 11 CO 0.02 0.89 0.36 -0.07 -0.57 0.00 0.00 179.45 180.08 2kjg h LEU 12 N 0.82 0.61 -0.98 2.94 3.38 -0.78 -1.26 115.31 120.04 2kjg h LEU 12 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2kjg h LEU 12 Cb 0.51 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2kjg h LEU 12 CO 0.03 0.44 0.42 0.03 0.09 0.00 0.00 178.44 179.44 2kjg h ARG 13 N 0.73 1.14 -0.67 1.13 2.47 -0.67 -2.13 114.38 116.38 2kjg h ARG 13 Ca 0.21 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 2kjg h ARG 13 Cb -0.05 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.02 2kjg h ARG 13 CO -0.06 0.86 0.22 1.96 0.56 0.00 0.00 179.97 183.50 2kjg h GLN 14 N 1.14 1.04 0.00 0.04 4.20 -0.19 -2.47 115.11 118.88 2kjg h GLN 14 Ca 0.28 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kjg h GLN 14 Cb 0.06 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2kjg h GLN 14 CO -0.04 0.90 0.00 1.19 -0.67 0.00 0.00 178.83 180.21 2kjg n PHE 15 N -4.34 0.73 -0.81 2.96 3.72 -0.53 -4.88 117.46 114.32 2kjg n PHE 15 Ca 0.05 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2kjg n PHE 15 Cb 0.21 -0.91 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 2kjg n PHE 15 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2kjg n LYS 16 N -2.13 -0.27 0.00 -1.08 4.76 -0.84 -4.22 118.16 114.38 2kjg n LYS 16 Ca 0.04 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2kjg n LYS 16 Cb 0.31 -3.66 0.00 0.00 -1.84 0.00 0.00 35.03 29.84 2kjg n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kjg n GLY 17 N -1.73 2.05 2.79 0.72 0.00 -1.23 -4.68 105.19 103.12 2kjg n GLY 17 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 2kjg n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kjg n LYS 18 N 0.00 -1.60 -3.09 1.61 5.02 -1.26 -4.97 118.16 113.88 2kjg n LYS 18 Ca 0.00 0.46 -0.17 0.00 -2.02 0.00 0.00 58.31 56.58 2kjg n LYS 18 Cb 0.00 -4.68 0.01 0.00 -0.02 0.00 0.00 35.03 30.33 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 -1.30 3.04 -0.36 -0.18 -7.23 -1.26 -5.04 120.40 108.08 2kjg s VAL 19 Ca 0.00 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 2kjg s VAL 19 Cb 0.00 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 33.92 2kjg s VAL 19 CO 0.00 -0.01 1.28 0.21 -0.31 0.00 0.00 175.10 176.27 2kjg s ASN 20 N -4.32 6.61 0.40 4.85 3.84 -1.26 -4.88 114.94 120.18 2kjg s ASN 20 Ca 0.54 0.99 0.08 0.00 0.21 0.00 0.00 52.86 54.68 2kjg s ASN 20 Cb -0.09 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.92 2kjg s ASN 20 CO 0.32 -1.17 2.00 0.15 -2.79 0.00 0.00 177.10 175.62 2kjg h PHE 21 N 9.49 0.59 -0.05 0.43 3.57 -1.96 -0.44 116.94 128.58 2kjg h PHE 21 Ca -0.25 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.03 2kjg h PHE 21 Cb 1.09 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.64 2kjg h PHE 21 CO 0.91 0.33 -0.90 -0.91 -2.23 0.00 0.00 178.31 175.51 2kjg h ASN 22 N 0.60 0.73 0.09 0.41 2.35 -1.99 -0.89 115.58 116.89 2kjg h ASN 22 Ca 0.24 -0.54 -0.27 0.00 -0.55 0.00 0.00 56.30 55.18 2kjg h ASN 22 Cb 0.19 -0.22 0.03 0.00 0.05 0.00 0.00 38.32 38.37 2kjg h ASN 22 CO -0.07 1.33 -1.12 0.25 -1.65 0.00 0.00 177.43 176.18 2kjg h LEU 23 N 0.36 0.83 -0.76 1.61 5.85 -1.84 -2.55 115.31 118.80 2kjg h LEU 23 Ca -0.08 -0.81 -0.08 0.00 0.84 0.00 0.00 57.88 57.75 2kjg h LEU 23 Cb 1.53 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2kjg h LEU 23 CO 0.17 1.55 0.08 0.58 -0.34 0.00 0.00 178.44 180.48 2kjg h VAL 24 N 0.21 1.26 -0.78 1.05 2.07 -1.07 0.31 116.25 119.30 2kjg h VAL 24 Ca -0.16 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.38 2kjg h VAL 24 Cb 1.80 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 2kjg h VAL 24 CO 0.22 0.38 0.51 -0.03 0.02 0.00 0.00 177.57 178.67 2kjg h MET 25 N 0.96 0.84 -0.00 1.57 1.85 -1.17 0.14 114.93 119.13 2kjg h MET 25 Ca 0.19 -0.05 -0.26 0.00 -0.61 0.00 0.00 59.70 58.96 2kjg h MET 25 Cb 0.44 -0.19 0.02 0.00 0.43 0.00 0.00 31.60 32.30 2kjg h MET 25 CO 0.01 0.56 -1.03 0.37 -0.40 0.00 0.00 176.91 176.42 2kjg h GLN 26 N 0.87 0.70 0.00 0.39 4.15 -0.80 -1.66 115.11 118.76 2kjg h GLN 26 Ca 0.33 -0.75 0.02 0.00 0.77 0.00 0.00 58.65 59.02 2kjg h GLN 26 Cb 0.19 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2kjg h GLN 26 CO -0.11 1.33 -0.12 0.82 -1.93 0.00 0.00 178.83 178.82 2kjg h ILE 27 N 0.39 0.70 -0.74 2.39 1.08 0.52 0.46 117.51 122.30 2kjg h ILE 27 Ca -0.13 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 2kjg h ILE 27 Cb 1.68 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 2kjg h ILE 27 CO 0.20 0.00 0.38 -0.07 -0.69 0.00 0.00 178.15 177.97 2kjg h LEU 28 N -0.20 0.96 -0.39 1.44 3.38 -0.83 -1.58 115.31 118.08 2kjg h LEU 28 Ca 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2kjg h LEU 28 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2kjg h LEU 28 CO -0.12 0.80 0.15 -0.78 0.09 0.00 0.00 178.44 178.59 2kjg h ASP 29 N 1.04 0.54 -0.42 -0.43 3.58 -0.87 -0.67 116.42 119.20 2kjg h ASP 29 Ca 0.26 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2kjg h ASP 29 Cb 0.08 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2kjg h ASP 29 CO -0.04 0.57 0.18 -0.08 -2.88 0.00 0.00 179.24 176.99 2kjg h GLU 30 N 0.48 0.61 -0.25 0.28 4.81 0.31 0.28 114.58 121.11 2kjg h GLU 30 Ca 0.13 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 2kjg h GLU 30 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2kjg h GLU 30 CO -0.01 0.56 -0.46 -0.84 -0.73 0.00 0.00 179.01 177.52 2kjg h ILE 31 N 0.53 1.30 0.31 2.32 3.07 -1.25 -3.02 117.51 120.77 2kjg h ILE 31 Ca 0.14 -1.66 -0.02 0.00 1.55 0.00 0.00 64.86 64.87 2kjg h ILE 31 Cb 0.16 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2kjg h ILE 31 CO -0.01 0.53 -0.15 -0.08 -1.05 0.00 0.00 178.15 177.39 2kjg h GLU 32 N 0.52 -0.40 -0.41 0.16 4.81 -0.49 0.33 114.58 119.11 2kjg h GLU 32 Ca 0.03 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2kjg h GLU 32 Cb 1.01 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2kjg h GLU 32 CO 0.09 -0.19 0.27 1.37 -0.73 0.00 0.00 179.01 179.82 2kjg h LEU 33 N -0.52 0.42 -0.07 1.64 8.10 -0.52 0.26 115.31 124.62 2kjg h LEU 33 Ca -0.04 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.90 2kjg h LEU 33 Cb 0.39 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.51 2kjg h LEU 33 CO 0.07 0.30 -0.11 -0.78 -4.11 0.00 0.00 178.44 173.81 2kjg h ASP 34 N 0.49 0.21 0.45 0.17 1.82 -1.37 -3.12 116.42 115.07 2kjg h ASP 34 Ca 0.16 -0.55 -0.02 0.00 -0.39 0.00 0.00 57.03 56.23 2kjg h ASP 34 Cb 0.03 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 2kjg h ASP 34 CO -0.04 0.72 -0.11 0.25 -1.61 0.00 0.00 179.24 178.45 2kjg h LEU 35 N -0.29 0.00 -0.72 2.28 5.85 0.03 0.51 115.31 122.98 2kjg h LEU 35 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 2kjg h LEU 35 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2kjg h LEU 35 CO 0.03 0.11 -0.54 0.03 -0.34 0.00 0.00 178.44 177.72 2kjg h ARG 36 N 0.00 0.28 0.09 1.25 3.08 -0.48 -3.29 114.38 115.32 2kjg h ARG 36 Ca -0.00 -0.17 -0.36 0.00 0.07 0.00 0.00 59.98 59.52 2kjg h ARG 36 Cb 0.36 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2kjg h ARG 36 CO 0.01 0.75 -2.00 0.41 -1.07 0.00 0.00 179.97 178.08 2kjg n GLY 37 N 0.14 -0.62 0.14 0.04 0.00 -0.65 -4.96 105.19 99.28 2kjg n GLY 37 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 2kjg n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kjg n SER 38 N -3.39 0.06 0.00 1.61 7.64 0.17 -5.06 113.62 114.65 2kjg n SER 38 Ca -0.31 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.53 2kjg n SER 38 Cb 1.05 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 2kjg n SER 38 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kjg n ASP 39 N -2.99 0.14 -4.17 6.43 5.75 -1.26 -4.69 116.55 115.76 2kjg n ASP 39 Ca 0.01 -0.46 -0.36 0.00 -0.01 0.00 0.00 54.79 53.97 2kjg n ASP 39 Cb 0.02 0.45 -0.13 0.00 -1.03 0.00 0.00 41.12 40.44 2kjg n ASP 39 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kjg s ASN 40 N -0.45 5.10 0.28 -1.12 3.84 -1.26 -4.94 114.94 116.40 2kjg s ASN 40 Ca 0.00 -1.55 0.14 0.00 0.21 0.00 0.00 52.86 51.66 2kjg s ASN 40 Cb 0.00 -1.78 0.32 0.00 -0.55 0.00 0.00 41.25 39.24 2kjg s ASN 40 CO 0.00 -0.38 1.57 -0.29 -2.79 0.00 0.00 177.10 175.21 2kjg h ILE 41 N 6.38 1.18 -0.16 -5.21 2.10 -1.94 -1.66 117.51 118.19 2kjg h ILE 41 Ca -0.18 -2.15 0.01 0.00 1.08 0.00 0.00 64.86 63.62 2kjg h ILE 41 Cb 1.06 2.24 -0.01 0.00 -1.09 0.00 0.00 36.82 39.02 2kjg h ILE 41 CO 0.61 0.56 0.08 0.11 -1.08 0.00 0.00 178.15 178.43 2kjg h LYS 42 N 0.00 0.17 -0.59 2.19 1.57 -1.98 0.27 116.57 118.20 2kjg h LYS 42 Ca -0.01 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2kjg h LYS 42 Cb 1.19 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2kjg h LYS 42 CO 0.07 0.11 0.06 1.15 -0.57 0.00 0.00 179.45 180.28 2kjg h THR 43 N 0.18 1.26 -0.91 -0.16 2.02 -1.95 -1.87 112.91 111.47 2kjg h THR 43 Ca 0.06 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.25 2kjg h THR 43 Cb 0.01 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2kjg h THR 43 CO -0.04 0.38 0.59 0.28 0.37 0.00 0.00 175.52 177.09 2kjg h SER 44 N 0.92 0.98 -0.41 4.18 0.02 -0.53 -1.90 113.55 116.81 2kjg h SER 44 Ca 0.18 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2kjg h SER 44 Cb 0.45 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2kjg h SER 44 CO 0.02 0.68 0.23 0.40 -1.14 0.00 0.00 176.83 177.02 2kjg h ILE 45 N 1.15 1.03 -0.44 3.27 1.08 -0.02 -3.02 117.51 120.56 2kjg h ILE 45 Ca 0.36 -0.16 0.09 0.00 -0.39 0.00 0.00 64.86 64.75 2kjg h ILE 45 Cb -0.01 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.17 2kjg h ILE 45 CO -0.11 0.09 -0.07 0.40 -0.69 0.00 0.00 178.15 177.76 2kjg h ILE 46 N 0.47 0.59 0.36 -0.67 2.04 -0.55 0.59 117.51 120.35 2kjg h ILE 46 Ca 0.17 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2kjg h ILE 46 Cb 0.02 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2kjg h ILE 46 CO -0.09 0.01 -0.17 1.88 0.00 0.00 0.00 178.15 179.78 2kjg h TYR 47 N 0.03 -0.45 -0.42 1.37 0.05 -1.37 -0.52 116.97 115.67 2kjg h TYR 47 Ca 0.21 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 2kjg h TYR 47 Cb 0.32 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 2kjg h TYR 47 CO -0.35 -0.24 -0.05 0.28 -1.05 0.00 0.00 178.16 176.75 2kjg h VAL 48 N -0.54 1.27 -0.24 -2.88 2.07 -1.41 0.19 116.25 114.70 2kjg h VAL 48 Ca -0.05 -1.11 -0.17 0.00 0.82 0.00 0.00 66.70 66.20 2kjg h VAL 48 Cb 0.40 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2kjg h VAL 48 CO 0.08 0.37 -0.52 1.88 0.02 0.00 0.00 177.57 179.40 2kjg h TYR 49 N 0.59 0.86 -0.02 1.57 -1.99 -0.87 0.14 116.97 117.25 2kjg h TYR 49 Ca 0.11 -0.29 -0.15 0.00 2.00 0.00 0.00 58.73 60.39 2kjg h TYR 49 Cb 0.55 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 2kjg h TYR 49 CO 0.04 1.06 -0.69 1.03 -0.00 0.00 0.00 178.16 179.61 2kjg h SER 50 N 0.54 0.14 -0.09 3.88 0.87 -0.88 -1.84 113.55 116.16 2kjg h SER 50 Ca 0.02 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.35 2kjg h SER 50 Cb 1.09 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2kjg h SER 50 CO 0.11 0.78 -0.49 -1.28 -0.53 0.00 0.00 176.83 175.42 2kjg h SER 51 N 0.08 0.59 -0.93 6.23 0.87 -0.41 -3.29 113.55 116.69 2kjg h SER 51 Ca -0.01 -0.65 -0.60 0.00 -1.23 0.00 0.00 61.79 59.30 2kjg h SER 51 Cb 1.22 -0.17 -0.30 0.00 -0.44 0.00 0.00 62.40 62.71 2kjg h SER 51 CO 0.10 1.15 0.56 1.41 -0.53 0.00 0.00 176.83 179.52 2kjg n HIS 52 N -4.25 3.01 -0.32 2.24 8.25 0.47 -4.74 115.22 119.87 2kjg n HIS 52 Ca -0.08 -2.62 0.17 0.00 -0.26 0.00 0.00 57.72 54.93 2kjg n HIS 52 Cb 0.59 -1.16 0.36 0.00 1.12 0.00 0.00 29.99 30.90 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 1.76 0.42 -0.42 2.41 3.38 -1.40 -0.44 115.31 121.02 2kjg h LEU 53 Ca 0.56 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.73 2kjg h LEU 53 Cb 1.35 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.19 2kjg h LEU 53 CO 1.32 -0.02 0.20 -0.78 0.09 0.00 0.00 178.44 179.25 2kjg h ASP 54 N 0.41 0.27 0.38 -0.43 3.58 -1.87 0.48 116.42 119.24 2kjg h ASP 54 Ca 0.62 0.03 -0.19 0.00 0.42 0.00 0.00 57.03 57.90 2kjg h ASP 54 Cb 1.24 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2kjg h ASP 54 CO -0.55 0.20 -0.80 -0.08 -2.88 0.00 0.00 179.24 175.13 2kjg h GLU 55 N 0.40 0.33 -0.44 0.28 4.57 -1.52 -2.56 114.58 115.64 2kjg h GLU 55 Ca 0.19 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2kjg h GLU 55 Cb 0.11 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2kjg h GLU 55 CO -0.14 0.97 0.25 0.82 -1.18 0.00 0.00 179.01 179.73 2kjg h ILE 56 N 0.21 1.15 0.00 2.32 1.08 -0.66 -1.31 117.51 120.30 2kjg h ILE 56 Ca -0.04 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 2kjg h ILE 56 Cb 1.40 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 2kjg h ILE 56 CO 0.13 0.16 -0.17 0.08 -0.69 0.00 0.00 178.15 177.65 2kjg h ARG 57 N 0.58 0.00 0.16 2.37 0.11 -0.96 -2.11 114.38 114.52 2kjg h ARG 57 Ca 0.16 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.23 2kjg h ARG 57 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2kjg h ARG 57 CO -0.03 0.17 -0.08 -0.22 0.10 0.00 0.00 179.97 179.92 2kjg h LYS 58 N 0.00 -0.21 -1.85 0.08 1.63 -0.84 -3.29 116.57 112.09 2kjg h LYS 58 Ca -0.00 0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 59.15 2kjg h LYS 58 Cb 0.72 0.05 -0.36 0.00 -0.60 0.00 0.00 32.23 32.04 2kjg h LYS 58 CO 0.02 0.17 -0.05 0.09 -3.45 0.00 0.00 179.45 176.24 2kjg n ASN 59 N -5.00 5.71 0.16 4.20 5.03 -0.67 -4.84 115.26 119.85 2kjg n ASN 59 Ca -0.09 -3.74 0.06 0.00 0.87 0.00 0.00 54.58 51.68 2kjg n ASN 59 Cb 0.25 -0.71 0.53 0.00 -1.02 0.00 0.00 39.78 38.83 2kjg n ASN 59 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 2kjg h LYS 60 N 2.92 0.20 -0.15 3.52 2.10 -1.46 0.15 116.57 123.86 2kjg h LYS 60 Ca 0.37 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.98 2kjg h LYS 60 Cb 0.54 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 2kjg h LYS 60 CO 1.04 0.17 -0.01 0.93 -2.00 0.00 0.00 179.45 179.58 2kjg h GLU 61 N 0.21 0.27 0.13 0.07 4.39 -1.88 -0.46 114.58 117.31 2kjg h GLU 61 Ca 0.05 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2kjg h GLU 61 Cb 0.04 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kjg h GLU 61 CO -0.01 0.51 -0.06 0.35 -1.16 0.00 0.00 179.01 178.64 2kjg h PHE 62 N -0.00 -0.16 0.00 4.33 3.57 -1.68 -2.17 116.94 120.83 2kjg h PHE 62 Ca 0.04 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2kjg h PHE 62 Cb 0.39 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2kjg h PHE 62 CO 0.04 0.03 -0.29 1.88 -2.23 0.00 0.00 178.31 177.74 2kjg h TYR 63 N -0.33 0.00 0.03 0.41 0.05 -0.75 0.53 116.97 116.91 2kjg h TYR 63 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kjg h TYR 63 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2kjg h TYR 63 CO -0.02 0.29 -0.02 0.22 -1.05 0.00 0.00 178.16 177.58 2kjg h ASP 64 N 0.00 -0.04 -0.42 3.88 3.58 -1.00 -2.64 116.42 119.78 2kjg h ASP 64 Ca -0.00 -0.52 -0.06 0.00 0.42 0.00 0.00 57.03 56.86 2kjg h ASP 64 Cb 0.67 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2kjg h ASP 64 CO 0.04 0.51 0.01 0.24 -2.88 0.00 0.00 179.24 177.17 2kjg h MET 65 N -0.60 0.74 -0.53 0.28 2.86 -1.15 -2.43 114.93 114.10 2kjg h MET 65 Ca -0.00 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 2kjg h MET 65 Cb 0.55 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2kjg h MET 65 CO 0.01 0.81 0.02 -0.84 1.06 0.00 0.00 176.91 177.97 2kjg h ILE 66 N 0.58 1.26 -0.94 -1.22 3.07 -1.01 -1.66 117.51 117.59 2kjg h ILE 66 Ca 0.12 -1.06 0.09 0.00 1.55 0.00 0.00 64.86 65.56 2kjg h ILE 66 Cb 0.46 0.91 -0.07 0.00 -0.27 0.00 0.00 36.82 37.85 2kjg h ILE 66 CO 0.02 0.38 0.61 0.00 -1.05 0.00 0.00 178.15 178.10 2kjg h ALA 67 N 0.96 1.54 0.53 0.16 0.00 -1.29 0.55 119.26 121.70 2kjg h ALA 67 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2kjg h ALA 67 Cb 0.49 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kjg h ALA 67 CO 0.02 0.28 -0.25 1.49 0.00 0.00 0.00 179.25 180.79 2kjg h GLU 68 N 1.00 -0.68 -0.65 0.00 4.57 -1.16 -3.09 114.58 114.57 2kjg h GLU 68 Ca 0.43 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.72 2kjg h GLU 68 Cb 0.33 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 2kjg h GLU 68 CO -0.19 -0.38 0.35 0.82 -1.18 0.00 0.00 179.01 178.43 2kjg h ILE 69 N -0.93 0.95 -0.24 2.32 2.04 -0.31 -0.92 117.51 120.44 2kjg h ILE 69 Ca -0.07 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.62 2kjg h ILE 69 Cb 0.62 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2kjg h ILE 69 CO 0.12 0.12 -0.09 -0.07 0.00 0.00 0.00 178.15 178.23 2kjg h LEU 70 N 0.65 -0.31 -0.16 1.44 3.38 -0.00 0.38 115.31 120.69 2kjg h LEU 70 Ca 0.29 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 2kjg h LEU 70 Cb 0.19 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kjg h LEU 70 CO -0.19 -0.12 -0.19 1.56 0.09 0.00 0.00 178.44 179.60 2kjg h GLN 71 N -0.05 0.40 -0.52 1.13 4.20 -1.40 -0.84 115.11 118.03 2kjg h GLN 71 Ca 0.12 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.64 2kjg h GLN 71 Cb 0.23 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2kjg h GLN 71 CO -0.27 0.79 0.29 -0.09 -0.67 0.00 0.00 178.83 178.88 2kjg h ARG 72 N 0.04 0.55 0.00 1.46 2.43 -0.83 -2.82 114.38 115.21 2kjg h ARG 72 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kjg h ARG 72 Cb 0.73 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2kjg h ARG 72 CO 0.04 0.36 -1.20 0.66 -1.51 0.00 0.00 179.97 178.33 2kjg n TYR 73 N -4.84 0.35 0.03 2.20 4.02 0.13 -4.05 117.16 115.01 2kjg n TYR 73 Ca 0.04 0.10 -0.01 0.00 -0.01 0.00 0.00 57.90 58.03 2kjg n TYR 73 Cb 0.11 -0.54 0.28 0.00 -0.02 0.00 0.00 39.34 39.17 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 0.47 0.00 -0.72 3.20 -0.88 0.38 116.97 119.41 2kjg h TYR 74 Ca 0.00 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 2kjg h TYR 74 Cb 0.83 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2kjg h TYR 74 CO 0.00 0.55 -0.23 0.87 -1.64 0.00 0.00 178.16 177.71 2kjg h LYS 75 N 0.41 0.00 0.00 1.82 1.79 -1.68 -2.36 116.57 116.55 2kjg h LYS 75 Ca 0.08 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.11 2kjg h LYS 75 Cb 0.46 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.04 2kjg h LYS 75 CO 0.03 0.23 -2.47 1.17 -1.08 0.00 0.00 179.45 177.32 2kjg n LYS 76 N -3.63 0.60 -0.00 3.15 4.81 -0.56 -4.78 118.16 117.74 2kjg n LYS 76 Ca -0.01 0.25 0.02 0.00 -0.87 0.00 0.00 58.31 57.70 2kjg n LYS 76 Cb 0.36 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 33.86 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 -4.03 0.02 0.00 3.15 -5.35 0.12 -5.12 119.36 108.16 2kjg n ILE 77 Ca -0.52 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 2kjg n ILE 77 Cb 0.91 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 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 2.28 2.90 0.32 3.28 0.00 -0.89 -4.64 105.19 108.45 2kjg n GLY 78 Ca -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 1.22 -0.47 -0.61 6.09 -1.85 -1.37 117.51 120.52 2kjg h ILE 79 Ca 0.00 -0.66 0.08 0.00 -1.37 0.00 0.00 64.86 62.91 2kjg h ILE 79 Cb 0.00 0.44 -0.07 0.00 0.47 0.00 0.00 36.82 37.66 2kjg h ILE 79 CO 0.00 0.27 0.05 -0.33 -3.07 0.00 0.00 178.15 175.07 2kjg h GLU 80 N 0.91 0.17 -0.35 2.19 3.07 -1.96 0.73 114.58 119.33 2kjg h GLU 80 Ca 0.22 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.98 2kjg h GLU 80 Cb 0.15 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2kjg h GLU 80 CO -0.02 0.11 -0.14 -0.91 -1.40 0.00 0.00 179.01 176.65 2kjg h ASN 81 N 0.17 0.73 -0.28 1.42 2.35 -1.68 -2.57 115.58 115.73 2kjg h ASN 81 Ca 0.23 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 2kjg h ASN 81 Cb 0.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2kjg h ASN 81 CO -0.34 0.96 0.03 0.58 -1.65 0.00 0.00 177.43 177.00 2kjg h VAL 82 N 0.50 1.24 -0.77 2.81 2.07 -0.58 -1.39 116.25 120.13 2kjg h VAL 82 Ca 0.08 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2kjg h VAL 82 Cb 0.66 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2kjg h VAL 82 CO 0.04 0.27 0.45 0.78 0.02 0.00 0.00 177.57 179.14 2kjg h ASN 83 N 0.28 0.69 -0.32 0.57 2.35 -0.88 0.11 115.58 118.38 2kjg h ASN 83 Ca 0.08 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2kjg h ASN 83 Cb 0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2kjg h ASN 83 CO 0.01 0.43 0.09 -0.61 -1.65 0.00 0.00 177.43 175.70 2kjg h GLN 84 N 0.82 0.50 -0.51 0.81 -0.00 -1.26 -1.80 115.11 113.67 2kjg h GLN 84 Ca 0.35 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.65 58.84 2kjg h GLN 84 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 2kjg h GLN 84 CO -0.19 0.55 0.15 -0.07 0.00 0.00 0.00 178.83 179.28 2kjg h LEU 85 N 0.35 0.70 -0.65 -2.39 3.38 -0.19 -0.72 115.31 115.80 2kjg h LEU 85 Ca 0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2kjg h LEU 85 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2kjg h LEU 85 CO -0.00 0.67 0.17 0.40 0.09 0.00 0.00 178.44 179.77 2kjg h ILE 86 N 0.74 1.26 -0.75 1.22 1.08 -0.52 -0.31 117.51 120.23 2kjg h ILE 86 Ca 0.17 -0.92 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 2kjg h ILE 86 Cb 0.23 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 2kjg h ILE 86 CO -0.01 0.35 0.34 -0.07 -0.69 0.00 0.00 178.15 178.07 2kjg h LEU 87 N 0.96 0.98 -1.23 1.44 3.38 -0.64 -1.32 115.31 118.89 2kjg h LEU 87 Ca 0.21 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2kjg h LEU 87 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2kjg h LEU 87 CO -0.00 0.84 -0.11 0.74 0.09 0.00 0.00 178.44 180.00 2kjg h THR 88 N 1.07 1.21 -0.04 0.22 2.02 -0.57 -2.09 112.91 114.73 2kjg h THR 88 Ca 0.26 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 66.39 2kjg h THR 88 Cb 0.13 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2kjg h THR 88 CO -0.03 0.29 -0.61 0.74 0.37 0.00 0.00 175.52 176.28 2kjg h THR 89 N 0.37 1.41 -0.00 3.16 2.02 0.04 -3.07 112.91 116.83 2kjg h THR 89 Ca 0.07 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.22 2kjg h THR 89 Cb 0.43 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2kjg h THR 89 CO 0.02 0.59 -0.58 2.30 0.37 0.00 0.00 175.52 178.23 2kjg n ILE 90 N -3.85 0.00 -3.69 3.11 -5.35 -0.80 -4.50 119.36 104.28 2kjg n ILE 90 Ca -0.02 -0.03 -0.36 0.00 -0.27 0.00 0.00 62.75 62.08 2kjg n ILE 90 Cb 0.62 0.48 -0.08 0.00 -1.74 0.00 0.00 39.64 38.91 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 -2.91 4.17 0.34 6.28 1.02 -0.81 -4.70 119.74 123.13 2kjg s LYS 91 Ca 0.12 -0.20 -0.26 0.00 0.02 0.00 0.00 55.97 55.66 2kjg s LYS 91 Cb 0.17 -3.45 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 2kjg s LYS 91 CO 0.71 0.23 0.98 -0.51 -0.92 0.00 0.00 175.35 175.83 2kjg s LEU 92 N 0.56 4.30 0.00 3.17 1.02 -1.26 -4.90 118.68 121.56 2kjg s LEU 92 Ca 0.09 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.14 2kjg s LEU 92 Cb -0.12 -4.05 0.00 0.00 0.02 0.00 0.00 46.19 42.04 2kjg s LEU 92 CO 0.00 -0.17 0.48 1.21 0.02 0.00 0.00 176.35 177.89 2kjg n GLU 93 N 0.42 0.00 0.00 1.70 0.00 -1.26 -4.65 120.64 116.85 2kjg n GLU 93 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.50 2kjg n GLU 93 Cb 0.50 -0.98 0.00 0.00 0.00 0.00 0.00 31.44 30.96 2kjg n GLU 93 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kjg n HIS 94 N -0.79 0.00 -3.20 4.31 8.25 -1.26 -5.00 115.22 117.53 2kjg n HIS 94 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 2kjg n HIS 94 Cb 0.00 0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 2kjg n HIS 94 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kjg s HIS 95 N 0.00 3.33 0.08 4.41 3.76 -1.26 -4.72 115.29 120.90 2kjg s HIS 95 Ca 0.00 -1.45 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 2kjg s HIS 95 Cb 0.00 -3.94 0.00 0.00 1.11 0.00 0.00 32.58 29.75 2kjg s HIS 95 CO 0.00 -1.16 0.00 0.72 -0.85 0.00 0.00 174.74 173.45 2kjg n HIS 96 N 5.32 -0.27 0.19 1.40 8.25 -1.26 -4.61 115.22 124.24 2kjg n HIS 96 Ca 0.02 0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.57 2kjg n HIS 96 Cb 0.44 0.09 0.39 0.00 1.12 0.00 0.00 29.99 32.04 2kjg n HIS 96 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2kjg h HIS 97 N 0.00 0.00 -3.25 4.41 2.07 -2.04 -3.24 115.15 113.10 2kjg h HIS 97 Ca 0.00 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.89 2kjg h HIS 97 Cb 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 2kjg h HIS 97 CO 0.00 0.35 -0.64 -1.58 -3.07 0.00 0.00 177.93 172.99 2kjg s HIS 98 N -4.13 3.07 0.00 6.12 5.65 -1.26 -5.31 115.29 119.43 2kjg s HIS 98 Ca -0.02 -3.10 0.00 0.00 0.25 0.00 0.00 55.06 52.18 2kjg s HIS 98 Cb 0.14 -2.65 0.00 0.00 -1.18 0.00 0.00 32.58 28.89 2kjg s HIS 98 CO 0.71 -0.71 0.00 1.58 -0.65 0.00 0.00 174.74 175.67