#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 2.15 0.00 7.83 0.15 -1.26 -4.90 113.70 117.67 2kjg s SER 2 Ca 0.00 -3.05 0.00 0.00 0.70 0.00 0.00 55.95 53.60 2kjg s SER 2 Cb 0.00 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2kjg s SER 2 CO 0.00 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.26 2kjg n ILE 3 N 2.89 0.00 1.49 6.45 0.13 -1.26 -4.78 119.36 124.28 2kjg n ILE 3 Ca 0.26 -0.02 0.00 0.00 -1.10 0.00 0.00 62.75 61.89 2kjg n ILE 3 Cb 0.44 0.25 0.00 0.00 -0.84 0.00 0.00 39.64 39.49 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 -0.53 0.31 -0.14 9.51 4.77 -1.26 -2.85 117.00 126.81 2kjg n LEU 4 Ca 0.00 -0.15 0.14 0.00 -0.03 0.00 0.00 56.01 55.96 2kjg n LEU 4 Cb 0.00 -0.15 0.51 0.00 -2.33 0.00 0.00 43.42 41.45 2kjg n LEU 4 CO 0.00 0.08 0.78 -0.62 -1.33 0.00 0.00 177.39 176.30 2kjg n GLU 5 N -0.31 0.63 -4.78 3.23 1.02 -1.26 -4.82 120.64 114.35 2kjg n GLU 5 Ca 0.00 -0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 56.54 2kjg n GLU 5 Cb 0.08 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 2kjg n GLU 5 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kjg s ASP 6 N -2.56 4.04 0.42 1.62 2.15 -1.13 -5.01 116.67 116.19 2kjg s ASP 6 Ca 0.25 -0.30 0.22 0.00 0.43 0.00 0.00 52.55 53.15 2kjg s ASP 6 Cb 0.20 -1.51 0.83 0.00 -0.30 0.00 0.00 42.92 42.14 2kjg s ASP 6 CO 0.51 0.19 1.79 -0.65 -0.17 0.00 0.00 175.17 176.84 2kjg h PRO 7 N 6.50 0.00 -0.30 4.34 0.11 -1.91 -3.22 132.00 137.52 2kjg h PRO 7 Ca -0.29 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 2kjg h PRO 7 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kjg h PRO 7 CO 0.55 0.27 -0.46 0.93 -0.21 0.00 0.00 178.00 179.09 2kjg h GLU 8 N 0.00 0.79 -0.90 1.05 4.39 -1.97 -2.50 114.58 115.44 2kjg h GLU 8 Ca -0.00 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.26 2kjg h GLU 8 Cb 0.80 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 2kjg h GLU 8 CO 0.04 1.08 0.59 0.35 -1.16 0.00 0.00 179.01 179.91 2kjg h PHE 9 N 0.63 1.12 -0.16 4.33 3.57 -1.91 -1.88 116.94 122.64 2kjg h PHE 9 Ca 0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2kjg h PHE 9 Cb 1.03 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2kjg h PHE 9 CO 0.06 0.70 -0.43 -0.24 -2.23 0.00 0.00 178.31 176.17 2kjg h VAL 10 N 1.20 1.31 -0.60 1.41 3.04 -1.50 -1.99 116.25 119.12 2kjg h VAL 10 Ca 0.33 -1.59 -0.01 0.00 -1.01 0.00 0.00 66.70 64.42 2kjg h VAL 10 Cb -0.12 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 30.80 2kjg h VAL 10 CO -0.08 0.48 0.33 0.11 -1.01 0.00 0.00 177.57 177.41 2kjg h LYS 11 N 0.30 0.83 -0.62 4.17 1.57 -0.95 -1.22 116.57 120.64 2kjg h LYS 11 Ca 0.02 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2kjg h LYS 11 Cb 0.88 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2kjg h LYS 11 CO 0.07 0.61 0.22 -0.07 -0.57 0.00 0.00 179.45 179.71 2kjg h LEU 12 N 0.83 0.89 -1.54 2.94 3.38 -0.75 -0.09 115.31 120.97 2kjg h LEU 12 Ca 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2kjg h LEU 12 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2kjg h LEU 12 CO -0.04 0.85 -0.17 0.03 0.09 0.00 0.00 178.44 179.20 2kjg h ARG 13 N 0.89 0.08 0.00 1.13 2.47 -0.66 -1.51 114.38 116.77 2kjg h ARG 13 Ca 0.20 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.79 2kjg h ARG 13 Cb 0.26 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2kjg h ARG 13 CO -0.01 0.25 -0.58 1.96 0.56 0.00 0.00 179.97 182.15 2kjg h GLN 14 N 0.07 0.00 -0.31 0.04 4.20 -0.73 -3.22 115.11 115.17 2kjg h GLN 14 Ca 0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2kjg h GLN 14 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2kjg h GLN 14 CO 0.02 0.58 -0.22 0.35 -0.67 0.00 0.00 178.83 178.90 2kjg h PHE 15 N 0.00 0.81 -0.73 2.96 3.57 -0.06 -3.49 116.94 119.99 2kjg h PHE 15 Ca -0.01 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.32 2kjg h PHE 15 Cb 1.43 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2kjg h PHE 15 CO 0.00 0.94 -0.07 1.63 -2.23 0.00 0.00 178.31 178.59 2kjg n LYS 16 N -4.32 -0.37 -1.21 1.11 5.02 -0.73 -4.39 118.16 113.27 2kjg n LYS 16 Ca -0.03 0.24 -0.35 0.00 -2.02 0.00 0.00 58.31 56.16 2kjg n LYS 16 Cb 0.43 -0.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.94 2kjg n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kjg n GLY 17 N -0.85 4.00 0.06 0.72 0.00 -1.25 -4.29 105.19 103.58 2kjg n GLY 17 Ca 0.00 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 3.55 0.19 -2.79 1.61 5.02 -1.26 -4.84 118.16 119.63 2kjg n LYS 18 Ca 0.72 0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 56.88 2kjg n LYS 18 Cb 0.28 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 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 -3.09 3.97 -0.33 -0.18 -7.23 -1.26 -5.00 120.40 107.29 2kjg s VAL 19 Ca 0.10 -0.30 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 2kjg s VAL 19 Cb 0.14 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.58 2kjg s VAL 19 CO 0.62 -0.41 0.75 0.21 -0.31 0.00 0.00 175.10 175.96 2kjg s ASN 20 N -4.23 6.57 0.34 4.85 3.84 -1.26 -4.91 114.94 120.13 2kjg s ASN 20 Ca 0.50 0.46 0.09 0.00 0.21 0.00 0.00 52.86 54.12 2kjg s ASN 20 Cb -0.10 -2.38 0.83 0.00 -0.55 0.00 0.00 41.25 39.04 2kjg s ASN 20 CO 0.40 -0.64 1.81 0.15 -2.79 0.00 0.00 177.10 176.03 2kjg h PHE 21 N 8.30 0.92 -0.12 0.43 3.04 -1.96 0.82 116.94 128.38 2kjg h PHE 21 Ca -0.25 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.54 2kjg h PHE 21 Cb 1.10 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 2kjg h PHE 21 CO 0.78 0.23 -0.69 -0.91 -2.02 0.00 0.00 178.31 175.70 2kjg h ASN 22 N 0.68 0.59 0.12 0.41 2.35 -1.98 0.11 115.58 117.85 2kjg h ASN 22 Ca 0.54 -0.37 -0.27 0.00 -0.55 0.00 0.00 56.30 55.65 2kjg h ASN 22 Cb 0.95 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 39.17 2kjg h ASN 22 CO -0.31 1.11 -1.10 0.25 -1.65 0.00 0.00 177.43 175.73 2kjg h LEU 23 N 0.35 0.83 -0.41 1.61 5.85 -1.68 -1.42 115.31 120.44 2kjg h LEU 23 Ca -0.02 -0.70 0.03 0.00 0.84 0.00 0.00 57.88 58.03 2kjg h LEU 23 Cb 1.27 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2kjg h LEU 23 CO 0.13 1.51 0.20 0.58 -0.34 0.00 0.00 178.44 180.51 2kjg h VAL 24 N 0.32 0.97 -1.01 1.05 2.07 -0.62 0.50 116.25 119.54 2kjg h VAL 24 Ca -0.14 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2kjg h VAL 24 Cb 1.76 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2kjg h VAL 24 CO 0.21 0.07 0.66 -0.03 0.02 0.00 0.00 177.57 178.50 2kjg h MET 25 N 0.41 1.21 -0.40 1.57 1.85 -0.74 0.13 114.93 118.96 2kjg h MET 25 Ca 0.18 -0.07 -0.13 0.00 -0.61 0.00 0.00 59.70 59.06 2kjg h MET 25 Cb 0.09 -0.27 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 2kjg h MET 25 CO -0.13 0.80 -0.26 0.37 -0.40 0.00 0.00 176.91 177.29 2kjg h GLN 26 N 1.24 0.88 0.02 0.39 4.15 -0.27 -0.77 115.11 120.75 2kjg h GLN 26 Ca 0.41 -0.41 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2kjg h GLN 26 Cb 0.07 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2kjg h GLN 26 CO -0.14 1.06 -0.13 0.82 -1.93 0.00 0.00 178.83 178.51 2kjg h ILE 27 N 0.69 0.69 -0.69 2.39 1.08 0.11 0.46 117.51 122.24 2kjg h ILE 27 Ca 0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2kjg h ILE 27 Cb 0.84 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 2kjg h ILE 27 CO 0.07 0.00 0.31 -0.07 -0.69 0.00 0.00 178.15 177.77 2kjg h LEU 28 N -0.22 0.91 -0.17 1.44 3.38 -0.79 -0.68 115.31 119.19 2kjg h LEU 28 Ca 0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2kjg h LEU 28 Cb 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kjg h LEU 28 CO -0.11 0.79 -0.12 -0.78 0.09 0.00 0.00 178.44 178.30 2kjg h ASP 29 N 0.99 0.39 -0.60 -0.43 3.58 -0.63 -0.81 116.42 118.92 2kjg h ASP 29 Ca 0.24 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 2kjg h ASP 29 Cb 0.14 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2kjg h ASP 29 CO -0.03 0.76 0.31 -0.08 -2.88 0.00 0.00 179.24 177.32 2kjg h GLU 30 N 0.03 0.84 -0.24 0.28 4.81 0.29 0.64 114.58 121.24 2kjg h GLU 30 Ca 0.03 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 2kjg h GLU 30 Cb 0.63 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2kjg h GLU 30 CO 0.03 0.66 -0.57 -0.84 -0.73 0.00 0.00 179.01 177.56 2kjg h ILE 31 N 0.81 1.29 0.24 2.32 3.07 -1.14 -3.05 117.51 121.05 2kjg h ILE 31 Ca 0.21 -1.78 -0.01 0.00 1.55 0.00 0.00 64.86 64.83 2kjg h ILE 31 Cb 0.07 1.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 2kjg h ILE 31 CO -0.03 0.57 -0.16 -0.08 -1.05 0.00 0.00 178.15 177.40 2kjg h GLU 32 N 0.58 -0.37 -0.79 0.16 4.81 -0.51 0.27 114.58 118.73 2kjg h GLU 32 Ca 0.01 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2kjg h GLU 32 Cb 1.16 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 2kjg h GLU 32 CO 0.12 -0.25 0.52 1.37 -0.73 0.00 0.00 179.01 180.04 2kjg h LEU 33 N -0.39 0.80 -0.05 1.64 8.10 -0.96 0.59 115.31 125.04 2kjg h LEU 33 Ca -0.02 -0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.87 2kjg h LEU 33 Cb 0.33 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 2kjg h LEU 33 CO 0.02 0.54 -0.33 -0.78 -4.11 0.00 0.00 178.44 173.78 2kjg h ASP 34 N 0.92 0.39 0.53 0.17 3.58 -1.36 -3.25 116.42 117.40 2kjg h ASP 34 Ca 0.32 -0.67 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 2kjg h ASP 34 Cb 0.11 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kjg h ASP 34 CO -0.10 0.99 -0.11 0.25 -2.88 0.00 0.00 179.24 177.39 2kjg h LEU 35 N -0.20 0.00 0.00 2.28 5.85 0.11 -1.52 115.31 121.84 2kjg h LEU 35 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kjg h LEU 35 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2kjg h LEU 35 CO 0.07 0.11 0.00 0.54 -0.34 0.00 0.00 178.44 178.82 2kjg n ARG 36 N -3.46 0.10 -0.45 1.25 1.74 0.15 -2.06 116.66 113.94 2kjg n ARG 36 Ca -0.01 0.21 0.06 0.00 -0.77 0.00 0.00 57.85 57.34 2kjg n ARG 36 Cb 0.27 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.11 3.49 3.79 -0.13 0.00 -0.58 -5.07 105.19 106.59 2kjg n GLY 37 Ca 0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.42 -0.04 0.00 1.61 0.15 -0.87 -5.04 113.70 107.08 2kjg s SER 38 Ca 0.26 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2kjg s SER 38 Cb 0.25 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2kjg s SER 38 CO -0.02 -1.51 0.00 -0.67 1.20 0.00 0.00 173.24 172.23 2kjg n ASP 39 N -1.01 0.77 -3.63 5.45 2.03 -1.26 -4.77 116.55 114.13 2kjg n ASP 39 Ca -0.06 -0.38 -0.41 0.00 0.52 0.00 0.00 54.79 54.46 2kjg n ASP 39 Cb 0.60 0.90 -0.01 0.00 -0.72 0.00 0.00 41.12 41.90 2kjg n ASP 39 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kjg n ASN 40 N -0.98 5.34 0.19 1.67 4.13 -1.26 -4.67 115.26 119.68 2kjg n ASN 40 Ca 0.00 -2.81 0.06 0.00 1.68 0.00 0.00 54.58 53.50 2kjg n ASN 40 Cb 0.00 -1.61 0.54 0.00 -1.54 0.00 0.00 39.78 37.17 2kjg n ASN 40 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2kjg h ILE 41 N 3.68 1.07 -0.19 2.41 2.10 -1.95 -1.41 117.51 123.23 2kjg h ILE 41 Ca 0.63 -0.29 -0.10 0.00 1.08 0.00 0.00 64.86 66.18 2kjg h ILE 41 Cb 0.54 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.29 2kjg h ILE 41 CO 1.82 0.09 -0.32 0.07 -1.08 0.00 0.00 178.15 178.74 2kjg h LYS 42 N 0.12 0.37 -0.07 2.19 2.10 -1.95 0.21 116.57 119.54 2kjg h LYS 42 Ca 0.03 -0.15 -0.16 0.00 -2.00 0.00 0.00 60.65 58.36 2kjg h LYS 42 Cb 0.12 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 2kjg h LYS 42 CO 0.00 0.66 -0.67 1.15 -2.00 0.00 0.00 179.45 178.59 2kjg h THR 43 N 0.32 1.39 -0.44 0.07 2.02 -1.69 0.34 112.91 114.93 2kjg h THR 43 Ca 0.04 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 2kjg h THR 43 Cb 0.73 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 2kjg h THR 43 CO 0.06 0.62 0.23 0.28 0.37 0.00 0.00 175.52 177.08 2kjg h SER 44 N 0.21 0.57 -0.45 4.18 0.02 -0.56 -1.19 113.55 116.34 2kjg h SER 44 Ca -0.02 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2kjg h SER 44 Cb 1.22 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 2kjg h SER 44 CO 0.11 0.52 0.02 0.40 -1.14 0.00 0.00 176.83 176.74 2kjg h ILE 45 N 0.58 0.67 -0.25 3.27 1.08 -0.20 -2.10 117.51 120.55 2kjg h ILE 45 Ca 0.15 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 2kjg h ILE 45 Cb 0.09 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 2kjg h ILE 45 CO -0.02 0.03 -0.04 0.40 -0.69 0.00 0.00 178.15 177.82 2kjg h ILE 46 N 0.14 0.77 -0.53 -0.67 2.04 -0.28 0.29 117.51 119.27 2kjg h ILE 46 Ca 0.23 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.11 2kjg h ILE 46 Cb 0.32 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2kjg h ILE 46 CO -0.36 0.01 0.31 1.88 0.00 0.00 0.00 178.15 179.99 2kjg h TYR 47 N 0.03 0.58 -0.01 1.37 0.05 -0.71 -0.85 116.97 117.42 2kjg h TYR 47 Ca 0.12 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2kjg h TYR 47 Cb 0.17 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2kjg h TYR 47 CO -0.23 0.32 -0.06 0.28 -1.05 0.00 0.00 178.16 177.42 2kjg h VAL 48 N 0.61 1.51 -0.47 -2.88 2.07 -1.04 -2.67 116.25 113.38 2kjg h VAL 48 Ca 0.22 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 2kjg h VAL 48 Cb 0.04 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 2kjg h VAL 48 CO -0.11 0.42 0.10 1.88 0.02 0.00 0.00 177.57 179.88 2kjg h TYR 49 N -0.57 0.72 0.00 1.57 -1.99 -0.34 -0.21 116.97 116.15 2kjg h TYR 49 Ca -0.00 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 2kjg h TYR 49 Cb 0.71 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 2kjg h TYR 49 CO 0.15 0.62 -0.15 0.66 -0.00 0.00 0.00 178.16 179.45 2kjg h SER 50 N 0.68 0.00 0.67 3.88 4.64 -1.17 -1.72 113.55 120.54 2kjg h SER 50 Ca 0.15 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 2kjg h SER 50 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2kjg h SER 50 CO -0.00 0.15 -1.45 -0.24 -0.87 0.00 0.00 176.83 174.42 2kjg n SER 51 N -3.23 0.84 -1.59 4.97 2.88 -0.71 -4.24 113.62 112.53 2kjg n SER 51 Ca 0.01 0.37 -0.15 0.00 -1.33 0.00 0.00 58.87 57.77 2kjg n SER 51 Cb 0.44 0.18 0.09 0.00 -0.75 0.00 0.00 64.21 64.18 2kjg n SER 51 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kjg n HIS 52 N -2.88 1.91 -0.28 0.66 8.25 -0.17 -4.86 115.22 117.85 2kjg n HIS 52 Ca -0.10 -2.02 0.09 0.00 -0.26 0.00 0.00 57.72 55.43 2kjg n HIS 52 Cb 0.85 -0.37 0.24 0.00 1.12 0.00 0.00 29.99 31.83 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 1.77 0.19 -0.56 2.41 3.38 -1.49 -2.40 115.31 118.61 2kjg h LEU 53 Ca 0.27 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.44 2kjg h LEU 53 Cb 1.37 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.23 2kjg h LEU 53 CO 0.56 -0.01 0.28 -0.78 0.09 0.00 0.00 178.44 178.58 2kjg h ASP 54 N 0.35 0.39 -0.28 -0.43 3.58 -1.89 0.17 116.42 118.31 2kjg h ASP 54 Ca 0.49 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.91 2kjg h ASP 54 Cb 0.88 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2kjg h ASP 54 CO -0.52 0.26 -0.07 -0.08 -2.88 0.00 0.00 179.24 175.96 2kjg h GLU 55 N 0.53 0.55 -0.36 0.28 4.57 -1.85 -2.53 114.58 115.77 2kjg h GLU 55 Ca 0.25 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2kjg h GLU 55 Cb 0.18 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2kjg h GLU 55 CO -0.19 0.75 0.23 0.82 -1.18 0.00 0.00 179.01 179.44 2kjg h ILE 56 N 0.31 1.07 0.00 2.32 1.08 -0.96 -1.55 117.51 119.77 2kjg h ILE 56 Ca 0.07 -0.16 -0.06 0.00 -0.39 0.00 0.00 64.86 64.32 2kjg h ILE 56 Cb 0.54 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2kjg h ILE 56 CO 0.03 0.08 -0.29 0.08 -0.69 0.00 0.00 178.15 177.36 2kjg h ARG 57 N 0.46 0.00 -0.07 2.37 0.11 -0.72 -1.16 114.38 115.37 2kjg h ARG 57 Ca 0.14 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.14 2kjg h ARG 57 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2kjg h ARG 57 CO -0.05 0.29 -0.25 -0.22 0.10 0.00 0.00 179.97 179.84 2kjg h LYS 58 N 0.00 0.29 -1.29 0.08 1.63 -0.91 -3.29 116.57 113.09 2kjg h LYS 58 Ca -0.00 -0.22 -0.60 0.00 -0.85 0.00 0.00 60.65 58.98 2kjg h LYS 58 Cb 0.85 0.04 -0.40 0.00 -0.60 0.00 0.00 32.23 32.12 2kjg h LYS 58 CO 0.04 0.85 -0.53 0.09 -3.45 0.00 0.00 179.45 176.45 2kjg n ASN 59 N -4.50 5.16 -0.29 4.20 4.13 -0.66 -4.86 115.26 118.44 2kjg n ASN 59 Ca -0.08 -3.74 0.24 0.00 1.68 0.00 0.00 54.58 52.68 2kjg n ASN 59 Cb 0.46 -0.50 0.56 0.00 -1.54 0.00 0.00 39.78 38.76 2kjg n ASN 59 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2kjg h LYS 60 N 2.46 0.29 -0.10 3.52 -0.00 -1.28 -0.18 116.57 121.29 2kjg h LYS 60 Ca 0.36 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.97 2kjg h LYS 60 Cb 1.04 -0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 33.20 2kjg h LYS 60 CO 0.91 0.19 -0.02 0.93 -0.00 0.00 0.00 179.45 181.46 2kjg h GLU 61 N 0.30 0.18 0.11 0.07 5.08 -1.89 -1.09 114.58 117.34 2kjg h GLU 61 Ca 0.55 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 2kjg h GLU 61 Cb 1.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2kjg h GLU 61 CO -0.20 0.48 -0.05 0.35 -1.00 0.00 0.00 179.01 178.59 2kjg h PHE 62 N -0.13 -0.13 0.00 4.33 3.57 -1.45 -2.03 116.94 121.09 2kjg h PHE 62 Ca 0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2kjg h PHE 62 Cb 0.41 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2kjg h PHE 62 CO 0.05 0.09 -0.19 1.88 -2.23 0.00 0.00 178.31 177.91 2kjg h TYR 63 N -0.34 0.00 0.04 0.41 0.05 -1.29 0.40 116.97 116.24 2kjg h TYR 63 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2kjg h TYR 63 Cb 0.28 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.03 2kjg h TYR 63 CO -0.01 0.19 -0.36 0.22 -1.05 0.00 0.00 178.16 177.15 2kjg h ASP 64 N 0.00 0.24 -0.28 3.88 3.58 -1.10 -2.86 116.42 119.89 2kjg h ASP 64 Ca -0.00 -0.90 -0.08 0.00 0.42 0.00 0.00 57.03 56.47 2kjg h ASP 64 Cb 0.46 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2kjg h ASP 64 CO 0.02 1.12 -0.08 0.24 -2.88 0.00 0.00 179.24 177.67 2kjg h MET 65 N -0.60 0.67 -0.46 0.28 2.86 -1.06 -1.79 114.93 114.84 2kjg h MET 65 Ca -0.06 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.27 2kjg h MET 65 Cb 1.22 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2kjg h MET 65 CO 0.07 0.75 -0.15 -0.84 1.06 0.00 0.00 176.91 177.80 2kjg h ILE 66 N 0.62 1.27 -0.83 -1.22 3.07 -1.04 -1.32 117.51 118.05 2kjg h ILE 66 Ca 0.11 -1.26 0.06 0.00 1.55 0.00 0.00 64.86 65.32 2kjg h ILE 66 Cb 0.51 1.07 -0.06 0.00 -0.27 0.00 0.00 36.82 38.07 2kjg h ILE 66 CO 0.03 0.43 0.51 0.00 -1.05 0.00 0.00 178.15 178.08 2kjg h ALA 67 N 1.05 1.14 0.59 0.16 0.00 -1.11 0.56 119.26 121.65 2kjg h ALA 67 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2kjg h ALA 67 Cb 0.67 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kjg h ALA 67 CO 0.05 0.26 -0.28 1.49 0.00 0.00 0.00 179.25 180.76 2kjg h GLU 68 N 0.94 -0.77 -0.87 0.00 4.57 -1.14 -3.10 114.58 114.23 2kjg h GLU 68 Ca 0.36 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.59 2kjg h GLU 68 Cb 0.15 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2kjg h GLU 68 CO -0.17 -0.48 0.52 0.82 -1.18 0.00 0.00 179.01 178.52 2kjg h ILE 69 N -0.90 1.24 -0.27 2.32 2.04 -0.48 -1.98 117.51 119.49 2kjg h ILE 69 Ca -0.08 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.29 2kjg h ILE 69 Cb 0.65 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2kjg h ILE 69 CO 0.13 0.26 -0.04 -0.07 0.00 0.00 0.00 178.15 178.43 2kjg h LEU 70 N 1.19 -0.19 0.01 1.44 3.38 0.06 0.30 115.31 121.51 2kjg h LEU 70 Ca 0.31 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2kjg h LEU 70 Cb -0.04 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kjg h LEU 70 CO -0.06 -0.06 -0.01 1.56 0.09 0.00 0.00 178.44 179.97 2kjg h GLN 71 N 0.04 -0.02 -0.44 1.13 4.20 -1.42 -0.99 115.11 117.61 2kjg h GLN 71 Ca 0.13 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.90 2kjg h GLN 71 Cb 0.19 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 2kjg h GLN 71 CO -0.25 0.43 0.15 -0.09 -0.67 0.00 0.00 178.83 178.39 2kjg h ARG 72 N -0.47 0.30 0.00 1.46 2.43 -1.18 -2.27 114.38 114.65 2kjg h ARG 72 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kjg h ARG 72 Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2kjg h ARG 72 CO 0.00 0.20 -0.71 1.88 -1.51 0.00 0.00 179.97 179.84 2kjg h TYR 73 N 0.31 0.00 -0.15 2.20 -1.99 -0.45 -3.24 116.97 113.65 2kjg h TYR 73 Ca 0.21 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.84 2kjg h TYR 73 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 2kjg h TYR 73 CO -0.16 0.00 -0.32 -0.92 -0.00 0.00 0.00 178.16 176.76 2kjg h TYR 74 N 0.00 0.34 0.00 4.88 3.20 -0.62 0.36 116.97 125.13 2kjg h TYR 74 Ca 0.00 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 2kjg h TYR 74 Cb 0.80 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2kjg h TYR 74 CO 0.00 0.60 -0.38 0.87 -1.64 0.00 0.00 178.16 177.61 2kjg h LYS 75 N 0.26 0.00 0.00 1.82 1.79 -1.48 -2.54 116.57 116.43 2kjg h LYS 75 Ca 0.03 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 2kjg h LYS 75 Cb 0.71 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 2kjg h LYS 75 CO 0.05 0.38 -1.20 1.63 -1.08 0.00 0.00 179.45 179.23 2kjg n LYS 76 N -3.83 0.54 -0.00 3.15 5.02 -0.70 -4.80 118.16 117.53 2kjg n LYS 76 Ca -0.01 0.54 -0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2kjg n LYS 76 Cb 0.44 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2kjg n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2kjg n ILE 77 N -4.46 0.04 0.00 -0.18 -5.35 0.12 -5.11 119.36 104.43 2kjg n ILE 77 Ca -0.29 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2kjg n ILE 77 Cb 0.61 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 2.83 3.52 0.34 3.28 0.00 -0.95 -4.75 105.19 109.47 2kjg n GLY 78 Ca -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 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 0.06 1.23 -0.67 -0.61 6.09 -1.84 -2.06 117.51 119.72 2kjg h ILE 79 Ca 0.00 -0.59 0.07 0.00 -1.37 0.00 0.00 64.86 62.97 2kjg h ILE 79 Cb 0.00 0.19 -0.06 0.00 0.47 0.00 0.00 36.82 37.42 2kjg h ILE 79 CO 0.00 0.26 0.35 -0.33 -3.07 0.00 0.00 178.15 175.36 2kjg h GLU 80 N 1.08 0.60 -0.30 2.19 3.07 -1.96 0.26 114.58 119.52 2kjg h GLU 80 Ca 0.27 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.03 2kjg h GLU 80 Cb 0.04 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2kjg h GLU 80 CO -0.04 0.40 -0.09 -0.91 -1.40 0.00 0.00 179.01 176.97 2kjg h ASN 81 N 0.62 0.59 -0.51 1.42 2.35 -1.72 -2.86 115.58 115.47 2kjg h ASN 81 Ca 0.31 -0.38 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 2kjg h ASN 81 Cb 0.26 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2kjg h ASN 81 CO -0.22 0.83 -0.16 0.58 -1.65 0.00 0.00 177.43 176.81 2kjg h VAL 82 N 0.35 1.27 -0.58 2.81 2.07 -0.61 -1.80 116.25 119.75 2kjg h VAL 82 Ca 0.07 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.33 2kjg h VAL 82 Cb 0.58 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2kjg h VAL 82 CO 0.03 0.46 0.27 0.78 0.02 0.00 0.00 177.57 179.14 2kjg h ASN 83 N 0.89 0.35 -0.58 0.57 2.35 -0.50 0.23 115.58 118.89 2kjg h ASN 83 Ca 0.13 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2kjg h ASN 83 Cb 0.74 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 2kjg h ASN 83 CO 0.06 0.23 0.12 -0.61 -1.65 0.00 0.00 177.43 175.58 2kjg h GLN 84 N 0.50 0.94 -0.69 0.81 -0.00 -1.29 -1.86 115.11 113.53 2kjg h GLN 84 Ca 0.27 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 2kjg h GLN 84 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.58 2kjg h GLN 84 CO -0.22 0.88 0.35 -0.07 0.00 0.00 0.00 178.83 179.77 2kjg h LEU 85 N 0.85 0.89 -0.83 -2.39 3.38 -0.30 -0.67 115.31 116.23 2kjg h LEU 85 Ca 0.18 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2kjg h LEU 85 Cb 0.38 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2kjg h LEU 85 CO 0.01 0.76 0.20 0.40 0.09 0.00 0.00 178.44 179.90 2kjg h ILE 86 N 0.95 1.25 -0.78 1.22 1.08 -0.34 0.13 117.51 121.03 2kjg h ILE 86 Ca 0.24 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.78 2kjg h ILE 86 Cb 0.09 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2kjg h ILE 86 CO -0.03 0.35 0.33 -0.07 -0.69 0.00 0.00 178.15 178.03 2kjg h LEU 87 N 1.03 1.05 -1.03 1.44 3.38 -0.86 -1.66 115.31 118.66 2kjg h LEU 87 Ca 0.22 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2kjg h LEU 87 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2kjg h LEU 87 CO -0.01 0.92 -0.24 0.74 0.09 0.00 0.00 178.44 179.94 2kjg h THR 88 N 1.13 1.26 -0.68 0.22 2.02 -0.29 -2.40 112.91 114.15 2kjg h THR 88 Ca 0.26 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 2kjg h THR 88 Cb 0.18 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2kjg h THR 88 CO -0.03 0.38 0.42 0.74 0.37 0.00 0.00 175.52 177.40 2kjg h THR 89 N 0.36 1.19 0.00 3.16 2.02 0.18 -2.47 112.91 117.36 2kjg h THR 89 Ca 0.06 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kjg h THR 89 Cb 0.62 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2kjg h THR 89 CO 0.04 0.20 -0.49 0.16 0.37 0.00 0.00 175.52 175.80 2kjg h ILE 90 N 0.93 0.00 -1.89 3.11 3.07 -1.35 -3.40 117.51 117.98 2kjg h ILE 90 Ca 0.25 -0.50 -0.75 0.00 1.55 0.00 0.00 64.86 65.41 2kjg h ILE 90 Cb -0.04 1.18 -0.17 0.00 -0.27 0.00 0.00 36.82 37.52 2kjg h ILE 90 CO -0.05 0.00 1.60 0.29 -1.05 0.00 0.00 178.15 178.94 2kjg n LYS 91 N -2.17 3.47 -2.59 0.16 5.02 -0.92 -3.90 118.16 117.24 2kjg n LYS 91 Ca 0.04 -3.74 -0.42 0.00 -2.02 0.00 0.00 58.31 52.17 2kjg n LYS 91 Cb 0.44 -2.99 -0.02 0.00 -0.02 0.00 0.00 35.03 32.43 2kjg n LYS 91 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kjg s LEU 92 N 0.91 3.66 0.09 -0.35 1.02 -1.26 -4.91 118.68 117.83 2kjg s LEU 92 Ca 0.42 -1.70 -0.00 0.00 0.02 0.00 0.00 54.13 52.87 2kjg s LEU 92 Cb 0.02 -2.56 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 2kjg s LEU 92 CO 0.00 -1.41 -0.02 -0.70 0.02 0.00 0.00 176.35 174.24 2kjg s GLU 93 N 4.68 0.76 -0.89 1.70 2.12 -1.26 -4.85 118.70 120.97 2kjg s GLU 93 Ca 0.47 -1.32 -0.03 0.00 0.36 0.00 0.00 54.97 54.45 2kjg s GLU 93 Cb 0.01 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2kjg s GLU 93 CO -0.06 -0.12 0.76 0.72 -0.54 0.00 0.00 175.26 176.02 2kjg n HIS 94 N 0.01 -1.77 0.12 5.30 8.25 -1.26 -4.91 115.22 120.96 2kjg n HIS 94 Ca -0.11 0.68 0.01 0.00 -0.26 0.00 0.00 57.72 58.03 2kjg n HIS 94 Cb 0.62 -3.97 0.32 0.00 1.12 0.00 0.00 29.99 28.08 2kjg n HIS 94 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjg h HIS 95 N -1.61 0.21 -2.84 4.41 3.86 -1.97 -3.27 115.15 113.93 2kjg h HIS 95 Ca -0.40 -0.04 -0.59 0.00 -1.16 0.00 0.00 60.37 58.17 2kjg h HIS 95 Cb 1.25 -0.05 -0.11 0.00 1.06 0.00 0.00 27.41 29.55 2kjg h HIS 95 CO 0.33 0.46 0.71 -1.58 0.86 0.00 0.00 177.93 178.71 2kjg s HIS 96 N -4.40 2.62 -1.00 2.45 5.65 -1.26 -4.94 115.29 114.41 2kjg s HIS 96 Ca -0.05 -0.15 -0.24 0.00 0.25 0.00 0.00 55.06 54.88 2kjg s HIS 96 Cb 0.14 -4.32 -0.09 0.00 -1.18 0.00 0.00 32.58 27.14 2kjg s HIS 96 CO 0.75 -1.63 2.01 -1.01 -0.65 0.00 0.00 174.74 174.20 2kjg s HIS 97 N 4.49 1.73 -0.15 3.88 0.09 -1.23 -4.83 115.29 119.26 2kjg s HIS 97 Ca 0.30 0.88 -0.00 0.00 -0.00 0.00 0.00 55.06 56.24 2kjg s HIS 97 Cb -0.12 -3.90 0.03 0.00 -0.00 0.00 0.00 32.58 28.59 2kjg s HIS 97 CO 0.16 -1.45 -0.09 -1.58 -0.00 0.00 0.00 174.74 171.78 2kjg s HIS 98 N 11.54 1.88 0.00 1.40 5.65 -1.26 -5.19 115.29 129.30 2kjg s HIS 98 Ca 0.73 -1.10 0.00 0.00 0.25 0.00 0.00 55.06 54.94 2kjg s HIS 98 Cb -0.05 -1.42 0.00 0.00 -1.18 0.00 0.00 32.58 29.93 2kjg s HIS 98 CO 0.07 -0.62 0.00 -2.39 -0.65 0.00 0.00 174.74 171.14