#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 0.00 0.00 7.83 3.41 -1.26 -5.04 113.62 118.56 2kjg n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kjg n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kjg n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kjg n ILE 3 N -0.45 0.00 0.51 -1.33 3.06 -1.26 -4.93 119.36 114.96 2kjg n ILE 3 Ca 0.00 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.31 2kjg n ILE 3 Cb 0.00 0.00 0.28 0.00 0.54 0.00 0.00 39.64 40.46 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 0.00 0.12 9.51 4.77 -1.26 -1.45 117.00 128.68 2kjg n LEU 4 Ca 0.00 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 2kjg n LEU 4 Cb 0.00 -0.35 0.15 0.00 -2.33 0.00 0.00 43.42 40.89 2kjg n LEU 4 CO 0.00 -0.21 0.48 -0.33 -1.33 0.00 0.00 177.39 176.00 2kjg h GLU 5 N 0.00 0.08 -5.92 3.23 5.08 -2.00 -3.44 114.58 111.61 2kjg h GLU 5 Ca 0.00 -0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.73 2kjg h GLU 5 Cb 0.14 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 2kjg h GLU 5 CO 0.00 0.68 0.13 0.34 -1.00 0.00 0.00 179.01 179.15 2kjg s ASP 6 N -6.87 6.89 0.52 1.42 -1.08 -0.53 -4.95 116.67 112.07 2kjg s ASP 6 Ca -0.02 1.08 0.21 0.00 -0.52 0.00 0.00 52.55 53.30 2kjg s ASP 6 Cb 0.12 -2.40 1.35 0.00 -1.46 0.00 0.00 42.92 40.54 2kjg s ASP 6 CO 0.78 -0.19 2.12 -0.65 0.52 0.00 0.00 175.17 177.75 2kjg h PRO 7 N 7.00 0.00 -0.05 4.34 0.11 -1.88 -2.61 132.00 138.91 2kjg h PRO 7 Ca -0.37 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2kjg h PRO 7 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kjg h PRO 7 CO 0.77 0.08 -0.62 0.93 -0.21 0.00 0.00 178.00 178.95 2kjg h GLU 8 N 0.00 0.19 -0.34 1.05 4.39 -1.94 -1.55 114.58 116.38 2kjg h GLU 8 Ca -0.00 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2kjg h GLU 8 Cb 0.15 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2kjg h GLU 8 CO 0.01 0.75 -0.04 0.35 -1.16 0.00 0.00 179.01 178.92 2kjg h PHE 9 N 0.14 0.69 -0.23 4.33 3.57 -1.77 0.04 116.94 123.72 2kjg h PHE 9 Ca -0.01 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 2kjg h PHE 9 Cb 1.12 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2kjg h PHE 9 CO 0.02 0.77 -0.27 -0.24 -2.23 0.00 0.00 178.31 176.35 2kjg h VAL 10 N 0.42 1.27 -0.63 1.41 3.04 -1.46 -2.30 116.25 118.00 2kjg h VAL 10 Ca 0.09 -1.29 -0.02 0.00 -1.01 0.00 0.00 66.70 64.47 2kjg h VAL 10 Cb 0.52 1.39 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 2kjg h VAL 10 CO 0.03 0.40 0.30 0.11 -1.01 0.00 0.00 177.57 177.40 2kjg h LYS 11 N 0.39 0.91 -0.57 4.17 1.57 -0.95 -2.60 116.57 119.48 2kjg h LYS 11 Ca 0.05 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2kjg h LYS 11 Cb 0.68 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2kjg h LYS 11 CO 0.05 0.73 0.38 -0.07 -0.57 0.00 0.00 179.45 179.97 2kjg h LEU 12 N 0.87 0.55 -1.44 2.94 3.38 -0.45 0.24 115.31 121.40 2kjg h LEU 12 Ca 0.22 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2kjg h LEU 12 Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2kjg h LEU 12 CO -0.03 0.37 -0.10 0.03 0.09 0.00 0.00 178.44 178.80 2kjg h ARG 13 N 0.63 0.24 0.17 1.13 2.47 -1.08 0.19 114.38 118.12 2kjg h ARG 13 Ca 0.23 -0.05 -0.30 0.00 -1.26 0.00 0.00 59.98 58.61 2kjg h ARG 13 Cb 0.13 -0.04 0.02 0.00 -1.65 0.00 0.00 29.97 28.44 2kjg h ARG 13 CO -0.06 0.35 -1.31 1.96 0.56 0.00 0.00 179.97 181.47 2kjg h GLN 14 N 0.23 0.39 -0.54 0.04 4.20 -0.57 -3.17 115.11 115.69 2kjg h GLN 14 Ca 0.05 -0.65 -0.03 0.00 0.06 0.00 0.00 58.65 58.08 2kjg h GLN 14 Cb 0.33 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2kjg h GLN 14 CO 0.02 1.30 0.21 0.74 -0.67 0.00 0.00 178.83 180.43 2kjg h PHE 15 N 0.12 0.78 0.00 2.96 -1.00 -0.20 -3.46 116.94 116.14 2kjg h PHE 15 Ca -0.18 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.56 2kjg h PHE 15 Cb 2.02 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 41.34 2kjg h PHE 15 CO 0.09 0.61 0.00 1.17 -1.61 0.00 0.00 178.31 178.57 2kjg n LYS 16 N -4.33 0.00 0.00 1.51 4.81 0.62 -4.50 118.16 116.27 2kjg n LYS 16 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2kjg n LYS 16 Cb 0.16 -0.40 0.00 0.00 0.02 0.00 0.00 35.03 34.82 2kjg n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kjg n GLY 17 N 0.00 1.48 2.59 3.14 0.00 -1.26 -4.39 105.19 106.75 2kjg n GLY 17 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.68 -4.40 1.61 4.01 -1.26 -4.99 118.16 110.45 2kjg n LYS 18 Ca 0.00 0.98 -0.26 0.00 -0.51 0.00 0.00 58.31 58.51 2kjg n LYS 18 Cb 0.00 -5.70 -0.09 0.00 -0.51 0.00 0.00 35.03 28.72 2kjg n LYS 18 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2kjg s VAL 19 N -3.08 2.17 -0.39 -0.18 -7.23 -1.26 -4.98 120.40 105.45 2kjg s VAL 19 Ca 0.09 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 2kjg s VAL 19 Cb -0.04 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.94 2kjg s VAL 19 CO 0.12 -0.02 0.82 0.21 -0.31 0.00 0.00 175.10 175.91 2kjg s ASN 20 N -3.78 6.54 0.37 4.85 3.84 -1.26 -4.91 114.94 120.58 2kjg s ASN 20 Ca 0.37 0.28 0.11 0.00 0.21 0.00 0.00 52.86 53.83 2kjg s ASN 20 Cb 0.07 -2.41 0.89 0.00 -0.55 0.00 0.00 41.25 39.24 2kjg s ASN 20 CO 0.20 -0.82 1.85 0.15 -2.79 0.00 0.00 177.10 175.70 2kjg h PHE 21 N 8.63 0.77 -0.05 0.43 3.57 -1.98 -0.09 116.94 128.23 2kjg h PHE 21 Ca -0.24 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.08 2kjg h PHE 21 Cb 1.09 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2kjg h PHE 21 CO 0.81 0.25 -0.81 -0.91 -2.23 0.00 0.00 178.31 175.41 2kjg h ASN 22 N 0.62 0.49 0.12 0.41 2.35 -1.98 -0.22 115.58 117.35 2kjg h ASN 22 Ca 0.47 -0.35 -0.27 0.00 -0.55 0.00 0.00 56.30 55.60 2kjg h ASN 22 Cb 0.87 -0.15 0.02 0.00 0.05 0.00 0.00 38.32 39.12 2kjg h ASN 22 CO -0.22 1.11 -1.10 0.25 -1.65 0.00 0.00 177.43 175.82 2kjg h LEU 23 N 0.25 0.83 -0.78 1.61 5.85 -1.74 -1.09 115.31 120.24 2kjg h LEU 23 Ca -0.05 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 57.94 2kjg h LEU 23 Cb 1.41 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2kjg h LEU 23 CO 0.14 1.50 0.37 0.58 -0.34 0.00 0.00 178.44 180.69 2kjg h VAL 24 N 0.32 1.25 -0.69 1.05 2.07 -0.87 0.38 116.25 119.75 2kjg h VAL 24 Ca -0.14 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2kjg h VAL 24 Cb 1.76 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2kjg h VAL 24 CO 0.21 0.30 0.45 -0.03 0.02 0.00 0.00 177.57 178.52 2kjg h MET 25 N 1.10 0.89 -0.46 1.57 1.85 -0.96 0.04 114.93 118.96 2kjg h MET 25 Ca 0.27 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.19 2kjg h MET 25 Cb 0.13 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 2kjg h MET 25 CO -0.03 0.59 -0.15 0.37 -0.40 0.00 0.00 176.91 177.29 2kjg h GLN 26 N 0.92 0.87 0.01 0.39 4.15 -0.26 0.38 115.11 121.57 2kjg h GLN 26 Ca 0.26 -0.32 0.02 0.00 0.77 0.00 0.00 58.65 59.38 2kjg h GLN 26 Cb -0.08 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 2kjg h GLN 26 CO -0.07 0.96 -0.14 0.82 -1.93 0.00 0.00 178.83 178.47 2kjg h ILE 27 N 0.77 0.66 -0.76 2.39 1.08 0.52 0.42 117.51 122.60 2kjg h ILE 27 Ca 0.12 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2kjg h ILE 27 Cb 0.67 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2kjg h ILE 27 CO 0.05 0.00 0.39 -0.07 -0.69 0.00 0.00 178.15 177.83 2kjg h LEU 28 N -0.24 0.97 -0.15 1.44 3.38 -0.89 -1.28 115.31 118.54 2kjg h LEU 28 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2kjg h LEU 28 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kjg h LEU 28 CO -0.12 0.81 -0.02 -0.78 0.09 0.00 0.00 178.44 178.42 2kjg h ASP 29 N 1.06 0.29 -0.69 -0.43 1.82 -0.52 -0.94 116.42 117.00 2kjg h ASP 29 Ca 0.26 -0.34 -0.06 0.00 -0.39 0.00 0.00 57.03 56.50 2kjg h ASP 29 Cb 0.08 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 2kjg h ASP 29 CO -0.04 0.56 0.20 -0.08 -1.61 0.00 0.00 179.24 178.28 2kjg h GLU 30 N 0.00 1.08 -0.37 0.28 4.81 0.01 0.90 114.58 121.29 2kjg h GLU 30 Ca 0.04 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.87 2kjg h GLU 30 Cb 0.43 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kjg h GLU 30 CO 0.01 0.94 -0.42 -0.84 -0.73 0.00 0.00 179.01 177.97 2kjg h ILE 31 N 1.01 1.27 -0.05 2.32 3.07 -1.22 -3.04 117.51 120.87 2kjg h ILE 31 Ca 0.22 -1.59 0.01 0.00 1.55 0.00 0.00 64.86 65.05 2kjg h ILE 31 Cb 0.32 1.43 -0.01 0.00 -0.27 0.00 0.00 36.82 38.28 2kjg h ILE 31 CO -0.00 0.53 -0.03 -0.08 -1.05 0.00 0.00 178.15 177.52 2kjg h GLU 32 N 0.75 -0.03 -0.35 0.16 4.81 -0.54 0.36 114.58 119.75 2kjg h GLU 32 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2kjg h GLU 32 Cb 1.02 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2kjg h GLU 32 CO 0.10 -0.02 0.08 1.37 -0.73 0.00 0.00 179.01 179.82 2kjg h LEU 33 N -0.03 0.46 0.00 1.64 8.10 -0.90 -1.70 115.31 122.89 2kjg h LEU 33 Ca 0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2kjg h LEU 33 Cb 0.07 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 2kjg h LEU 33 CO -0.07 0.47 -0.00 -0.78 -4.11 0.00 0.00 178.44 173.95 2kjg h ASP 34 N 0.50 -0.00 -1.00 0.17 3.58 -1.34 -3.36 116.42 114.96 2kjg h ASP 34 Ca 0.12 -0.82 0.22 0.00 0.42 0.00 0.00 57.03 56.97 2kjg h ASP 34 Cb 0.19 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.14 2kjg h ASP 34 CO -0.00 0.82 0.62 0.25 -2.88 0.00 0.00 179.24 178.05 2kjg h LEU 35 N -0.84 0.66 -1.27 2.28 5.85 -0.03 -1.59 115.31 120.36 2kjg h LEU 35 Ca -0.00 0.10 0.27 0.00 0.84 0.00 0.00 57.88 59.09 2kjg h LEU 35 Cb 0.82 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.73 2kjg h LEU 35 CO 0.00 0.19 0.66 -0.09 -0.34 0.00 0.00 178.44 178.86 2kjg h ARG 36 N 0.62 0.42 0.00 1.25 9.65 -1.46 0.39 114.38 125.24 2kjg h ARG 36 Ca 0.59 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.38 2kjg h ARG 36 Cb 1.12 -0.09 -0.14 0.00 -1.39 0.00 0.00 29.97 29.46 2kjg h ARG 36 CO -0.37 0.28 -0.67 0.41 2.80 0.00 0.00 179.97 182.42 2kjg n GLY 37 N -1.43 3.47 0.00 2.80 0.00 -0.67 -4.69 105.19 104.67 2kjg n GLY 37 Ca 0.26 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2kjg n GLY 37 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kjg n SER 38 N -0.51 4.76 0.00 1.61 2.88 -0.05 -5.03 113.62 117.27 2kjg n SER 38 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2kjg n SER 38 Cb 0.85 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 2kjg n SER 38 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kjg n ASP 39 N -1.92 0.00 -4.50 -3.46 2.03 -0.16 -4.79 116.55 103.74 2kjg n ASP 39 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2kjg n ASP 39 Cb 0.47 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.00 6.42 0.61 1.67 0.01 -1.26 -4.82 114.94 117.57 2kjg s ASN 40 Ca 0.00 -1.39 0.33 0.00 -0.71 0.00 0.00 52.86 51.09 2kjg s ASN 40 Cb 0.00 -2.49 1.96 0.00 0.41 0.00 0.00 41.25 41.13 2kjg s ASN 40 CO 0.00 -1.41 2.28 -0.29 -1.51 0.00 0.00 177.10 176.17 2kjg h ILE 41 N 6.22 0.41 -0.42 0.60 2.10 -1.91 -2.17 117.51 122.34 2kjg h ILE 41 Ca 0.02 -0.02 0.05 0.00 1.08 0.00 0.00 64.86 65.99 2kjg h ILE 41 Cb 1.03 1.01 -0.04 0.00 -1.09 0.00 0.00 36.82 37.73 2kjg h ILE 41 CO 1.26 0.00 0.17 0.11 -1.08 0.00 0.00 178.15 178.61 2kjg h LYS 42 N 0.00 0.34 -0.18 2.19 1.57 -1.98 0.42 116.57 118.92 2kjg h LYS 42 Ca -0.00 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2kjg h LYS 42 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2kjg h LYS 42 CO 0.00 0.22 -0.59 1.15 -0.57 0.00 0.00 179.45 179.67 2kjg h THR 43 N 0.35 1.32 -0.89 -0.16 2.02 -1.81 -2.52 112.91 111.22 2kjg h THR 43 Ca 0.19 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 2kjg h THR 43 Cb 0.16 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 2kjg h THR 43 CO -0.18 0.57 0.50 0.28 0.37 0.00 0.00 175.52 177.07 2kjg h SER 44 N 0.44 1.10 -0.26 4.18 0.02 -1.15 -2.27 113.55 115.61 2kjg h SER 44 Ca 0.00 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2kjg h SER 44 Cb 1.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 2kjg h SER 44 CO 0.11 0.87 0.05 0.40 -1.14 0.00 0.00 176.83 177.12 2kjg h ILE 45 N 1.24 0.87 -0.44 3.27 1.08 0.09 -2.92 117.51 120.70 2kjg h ILE 45 Ca 0.32 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.82 2kjg h ILE 45 Cb 0.01 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 2kjg h ILE 45 CO -0.05 0.03 0.00 0.40 -0.69 0.00 0.00 178.15 177.84 2kjg h ILE 46 N 0.14 0.67 0.33 -0.67 2.04 -0.99 0.75 117.51 119.77 2kjg h ILE 46 Ca 0.12 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2kjg h ILE 46 Cb 0.13 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2kjg h ILE 46 CO -0.16 0.02 -0.16 1.88 0.00 0.00 0.00 178.15 179.73 2kjg h TYR 47 N 0.11 -0.41 -0.30 1.37 0.05 -1.32 -0.37 116.97 116.11 2kjg h TYR 47 Ca 0.22 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 2kjg h TYR 47 Cb 0.31 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 2kjg h TYR 47 CO -0.28 -0.22 0.09 0.28 -1.05 0.00 0.00 178.16 176.98 2kjg h VAL 48 N -0.49 1.20 -0.46 -2.88 2.07 -1.32 -1.15 116.25 113.22 2kjg h VAL 48 Ca -0.04 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 2kjg h VAL 48 Cb 0.37 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2kjg h VAL 48 CO 0.07 0.22 -0.10 1.88 0.02 0.00 0.00 177.57 179.66 2kjg h TYR 49 N 0.32 0.91 0.00 1.57 -1.99 -0.82 0.41 116.97 117.37 2kjg h TYR 49 Ca 0.10 -0.17 -0.09 0.00 2.00 0.00 0.00 58.73 60.57 2kjg h TYR 49 Cb 0.25 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 2kjg h TYR 49 CO 0.01 0.88 -0.41 1.03 -0.00 0.00 0.00 178.16 179.67 2kjg h SER 50 N 0.75 0.00 0.12 3.88 0.87 -0.77 -1.78 113.55 116.63 2kjg h SER 50 Ca 0.13 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.49 2kjg h SER 50 Cb 0.59 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2kjg h SER 50 CO 0.04 0.41 -0.94 -1.28 -0.53 0.00 0.00 176.83 174.53 2kjg h SER 51 N 0.00 0.41 -0.96 6.23 0.87 -0.84 -3.35 113.55 115.90 2kjg h SER 51 Ca -0.00 -0.92 -0.65 0.00 -1.23 0.00 0.00 61.79 58.99 2kjg h SER 51 Cb 0.91 -0.13 -0.30 0.00 -0.44 0.00 0.00 62.40 62.43 2kjg h SER 51 CO 0.05 1.44 0.68 1.41 -0.53 0.00 0.00 176.83 179.88 2kjg n HIS 52 N -4.10 3.14 -0.34 2.24 8.25 0.10 -4.73 115.22 119.77 2kjg n HIS 52 Ca -0.17 -2.84 0.25 0.00 -0.26 0.00 0.00 57.72 54.70 2kjg n HIS 52 Cb 0.82 -1.29 0.52 0.00 1.12 0.00 0.00 29.99 31.16 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 1.91 0.44 -0.16 2.41 3.38 -1.47 -2.50 115.31 119.32 2kjg h LEU 53 Ca 0.58 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.70 2kjg h LEU 53 Cb 1.07 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2kjg h LEU 53 CO 1.46 0.03 -0.14 -0.78 0.09 0.00 0.00 178.44 179.10 2kjg h ASP 54 N 0.36 -0.44 0.70 -0.43 3.58 -1.86 0.33 116.42 118.65 2kjg h ASP 54 Ca 0.64 0.09 -0.14 0.00 0.42 0.00 0.00 57.03 58.04 2kjg h ASP 54 Cb 1.66 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.91 2kjg h ASP 54 CO -0.35 -0.18 -0.66 -0.08 -2.88 0.00 0.00 179.24 175.10 2kjg h GLU 55 N -0.15 0.00 -0.32 0.28 4.57 -1.85 -0.35 114.58 116.76 2kjg h GLU 55 Ca 0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2kjg h GLU 55 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2kjg h GLU 55 CO -0.26 0.66 0.09 0.82 -1.18 0.00 0.00 179.01 179.14 2kjg h ILE 56 N 0.00 1.21 -0.03 2.32 1.08 -1.21 -0.49 117.51 120.39 2kjg h ILE 56 Ca -0.01 -0.68 -0.17 0.00 -0.39 0.00 0.00 64.86 63.61 2kjg h ILE 56 Cb 1.18 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 2kjg h ILE 56 CO 0.09 0.23 -0.76 0.08 -0.69 0.00 0.00 178.15 177.10 2kjg h ARG 57 N 0.35 0.21 -0.50 2.37 0.11 -0.19 -1.15 114.38 115.57 2kjg h ARG 57 Ca 0.10 -0.19 -0.04 0.00 0.10 0.00 0.00 59.98 59.96 2kjg h ARG 57 Cb 0.26 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 2kjg h ARG 57 CO -0.00 0.87 0.17 0.87 0.10 0.00 0.00 179.97 181.98 2kjg h LYS 58 N 0.14 0.77 -2.23 0.08 6.56 -0.83 -3.28 116.57 117.78 2kjg h LYS 58 Ca -0.03 -0.16 -0.57 0.00 -1.06 0.00 0.00 60.65 58.83 2kjg h LYS 58 Cb 1.33 -0.12 -0.42 0.00 -0.57 0.00 0.00 32.23 32.46 2kjg h LYS 58 CO 0.12 0.71 -0.74 0.09 -2.06 0.00 0.00 179.45 177.57 2kjg n ASN 59 N -4.51 3.71 0.26 0.86 3.02 -0.21 -4.87 115.26 113.52 2kjg n ASN 59 Ca 0.02 -3.53 0.11 0.00 -0.03 0.00 0.00 54.58 51.15 2kjg n ASN 59 Cb 0.18 -0.58 0.70 0.00 -0.61 0.00 0.00 39.78 39.48 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 3.10 0.00 0.12 3.52 2.10 -1.27 -0.64 116.57 123.49 2kjg h LYS 60 Ca 0.13 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2kjg h LYS 60 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2kjg h LYS 60 CO 0.76 0.12 -0.06 0.93 -2.00 0.00 0.00 179.45 179.20 2kjg h GLU 61 N 0.00 -0.15 0.04 0.07 5.08 -1.89 -2.19 114.58 115.53 2kjg h GLU 61 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kjg h GLU 61 Cb 0.29 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kjg h GLU 61 CO 0.02 0.27 -0.04 0.35 -1.00 0.00 0.00 179.01 178.60 2kjg h PHE 62 N -0.63 -0.10 -0.13 4.33 3.57 -1.77 -1.61 116.94 120.60 2kjg h PHE 62 Ca -0.02 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2kjg h PHE 62 Cb 0.49 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2kjg h PHE 62 CO 0.07 -0.06 -0.29 1.88 -2.23 0.00 0.00 178.31 177.67 2kjg h TYR 63 N -0.09 0.27 -0.26 0.41 0.05 -1.24 0.57 116.97 116.68 2kjg h TYR 63 Ca 0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 2kjg h TYR 63 Cb 0.09 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2kjg h TYR 63 CO -0.10 0.52 -0.08 0.22 -1.05 0.00 0.00 178.16 177.67 2kjg h ASP 64 N 0.22 0.53 -0.22 3.88 3.58 -1.09 -1.14 116.42 122.17 2kjg h ASP 64 Ca 0.03 -0.38 -0.05 0.00 0.42 0.00 0.00 57.03 57.05 2kjg h ASP 64 Cb 0.63 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2kjg h ASP 64 CO 0.05 0.79 -0.06 0.24 -2.88 0.00 0.00 179.24 177.37 2kjg h MET 65 N 0.26 0.44 -0.37 0.28 2.86 -1.01 -2.72 114.93 114.66 2kjg h MET 65 Ca 0.06 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 2kjg h MET 65 Cb 0.57 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2kjg h MET 65 CO 0.03 0.68 -0.15 -0.84 1.06 0.00 0.00 176.91 177.69 2kjg h ILE 66 N 0.16 1.26 -0.95 -1.22 3.07 -0.90 -1.74 117.51 117.19 2kjg h ILE 66 Ca 0.06 -1.18 0.05 0.00 1.55 0.00 0.00 64.86 65.33 2kjg h ILE 66 Cb 0.52 1.13 -0.06 0.00 -0.27 0.00 0.00 36.82 38.15 2kjg h ILE 66 CO 0.02 0.40 0.61 0.00 -1.05 0.00 0.00 178.15 178.13 2kjg h ALA 67 N 1.22 1.29 0.12 0.16 0.00 -1.13 0.58 119.26 121.50 2kjg h ALA 67 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kjg h ALA 67 Cb 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kjg h ALA 67 CO 0.04 0.42 -0.06 1.49 0.00 0.00 0.00 179.25 181.14 2kjg h GLU 68 N 1.13 -0.16 -0.68 0.00 4.57 -1.14 -2.72 114.58 115.58 2kjg h GLU 68 Ca 0.40 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.54 2kjg h GLU 68 Cb 0.11 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2kjg h GLU 68 CO -0.15 0.01 0.24 0.82 -1.18 0.00 0.00 179.01 178.75 2kjg h ILE 69 N -0.30 1.25 -0.20 2.32 2.04 -0.50 -1.68 117.51 120.44 2kjg h ILE 69 Ca -0.02 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.04 2kjg h ILE 69 Cb 0.24 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2kjg h ILE 69 CO 0.03 0.32 0.07 -0.07 0.00 0.00 0.00 178.15 178.50 2kjg h LEU 70 N 0.98 0.08 -0.09 1.44 3.38 0.16 0.43 115.31 121.69 2kjg h LEU 70 Ca 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2kjg h LEU 70 Cb 0.25 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kjg h LEU 70 CO -0.01 0.07 0.02 1.56 0.09 0.00 0.00 178.44 180.18 2kjg h GLN 71 N 0.16 0.15 -0.43 1.13 4.20 -1.36 0.72 115.11 119.67 2kjg h GLN 71 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kjg h GLN 71 Cb 0.05 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2kjg h GLN 71 CO -0.08 0.32 0.29 -0.09 -0.67 0.00 0.00 178.83 178.60 2kjg h ARG 72 N -0.05 0.57 0.00 1.46 2.43 -1.08 -3.14 114.38 114.57 2kjg h ARG 72 Ca 0.03 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2kjg h ARG 72 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2kjg h ARG 72 CO -0.00 0.38 -1.26 0.66 -1.51 0.00 0.00 179.97 178.24 2kjg n TYR 73 N -4.78 0.81 0.14 2.20 4.02 0.15 -2.90 117.16 116.80 2kjg n TYR 73 Ca 0.01 0.24 0.01 0.00 -0.01 0.00 0.00 57.90 58.15 2kjg n TYR 73 Cb 0.02 -0.92 0.31 0.00 -0.02 0.00 0.00 39.34 38.74 2kjg n TYR 73 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 2kjg h TYR 74 N 0.00 0.14 -0.09 -0.72 -0.00 -0.84 0.31 116.97 115.77 2kjg h TYR 74 Ca -0.04 -0.03 -0.22 0.00 -0.00 0.00 0.00 58.73 58.43 2kjg h TYR 74 Cb 1.13 -0.03 0.01 0.00 -0.00 0.00 0.00 36.73 37.84 2kjg h TYR 74 CO 0.00 0.46 -0.84 0.87 -0.00 0.00 0.00 178.16 178.65 2kjg h LYS 75 N 0.11 0.63 0.02 0.10 1.57 -1.63 -2.60 116.57 114.78 2kjg h LYS 75 Ca 0.01 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2kjg h LYS 75 Cb 0.67 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2kjg h LYS 75 CO 0.05 1.18 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.88 2kjg h LYS 76 N 0.41 -0.03 0.00 3.15 3.64 -1.33 -3.42 116.57 118.99 2kjg h LYS 76 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kjg h LYS 76 Cb 1.46 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2kjg h LYS 76 CO 0.16 0.68 -0.89 0.44 -2.27 0.00 0.00 179.45 177.58 2kjg n ILE 77 N -4.74 0.00 0.00 2.00 -5.35 0.10 -5.08 119.36 106.29 2kjg n ILE 77 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2kjg n ILE 77 Cb 0.36 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 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 2.76 4.02 0.35 3.28 0.00 -0.65 -4.84 105.19 110.10 2kjg n GLY 78 Ca 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 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 0.72 1.25 -0.97 -0.61 6.09 -1.82 -2.14 117.51 120.03 2kjg h ILE 79 Ca 0.00 -0.54 0.02 0.00 -1.37 0.00 0.00 64.86 62.97 2kjg h ILE 79 Cb 0.00 -0.02 -0.05 0.00 0.47 0.00 0.00 36.82 37.22 2kjg h ILE 79 CO 0.00 0.26 0.64 -0.33 -3.07 0.00 0.00 178.15 175.65 2kjg h GLU 80 N 1.24 1.25 0.02 2.19 5.08 -1.96 0.19 114.58 122.60 2kjg h GLU 80 Ca 0.32 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2kjg h GLU 80 Cb -0.05 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.92 2kjg h GLU 80 CO -0.06 0.83 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.86 2kjg h ASN 81 N 1.29 -0.02 -0.60 1.42 4.21 -1.79 -3.07 115.58 117.01 2kjg h ASN 81 Ca 0.37 -0.30 -0.06 0.00 1.21 0.00 0.00 56.30 57.52 2kjg h ASN 81 Cb -0.10 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 2kjg h ASN 81 CO -0.09 0.29 0.18 0.58 -1.29 0.00 0.00 177.43 177.10 2kjg h VAL 82 N -0.34 1.24 -0.35 2.81 2.07 -0.74 -1.60 116.25 119.35 2kjg h VAL 82 Ca -0.00 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.72 2kjg h VAL 82 Cb 0.32 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2kjg h VAL 82 CO 0.00 0.33 -0.09 -1.13 0.02 0.00 0.00 177.57 176.70 2kjg h ASN 83 N 0.94 -0.34 -0.41 0.57 -0.73 -0.63 0.32 115.58 115.30 2kjg h ASN 83 Ca 0.21 0.11 -0.14 0.00 1.87 0.00 0.00 56.30 58.34 2kjg h ASN 83 Cb 0.30 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 2kjg h ASN 83 CO -0.00 -0.12 -0.28 -0.61 -0.37 0.00 0.00 177.43 176.05 2kjg h GLN 84 N -0.01 0.94 -0.52 6.67 -0.00 -1.39 -2.38 115.11 118.42 2kjg h GLN 84 Ca 0.17 -0.43 -0.09 0.00 -0.00 0.00 0.00 58.65 58.29 2kjg h GLN 84 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.71 2kjg h GLN 84 CO -0.36 1.09 -0.05 -0.07 0.00 0.00 0.00 178.83 179.44 2kjg h LEU 85 N 0.80 0.90 -0.66 -2.39 3.38 -0.25 0.26 115.31 117.34 2kjg h LEU 85 Ca 0.09 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2kjg h LEU 85 Cb 0.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2kjg h LEU 85 CO 0.08 0.99 -0.01 0.40 0.09 0.00 0.00 178.44 179.98 2kjg h ILE 86 N 0.83 1.26 -0.64 1.22 1.08 -0.32 -1.25 117.51 119.70 2kjg h ILE 86 Ca 0.15 -1.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.39 2kjg h ILE 86 Cb 0.56 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 2kjg h ILE 86 CO 0.03 0.41 0.10 -0.07 -0.69 0.00 0.00 178.15 177.93 2kjg h LEU 87 N 0.94 1.00 -1.60 1.44 3.38 -0.91 -1.83 115.31 117.73 2kjg h LEU 87 Ca 0.17 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kjg h LEU 87 Cb 0.55 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2kjg h LEU 87 CO 0.03 1.00 0.32 0.74 0.09 0.00 0.00 178.44 180.62 2kjg h THR 88 N 0.98 1.04 -0.28 0.22 2.02 -0.06 -1.66 112.91 115.18 2kjg h THR 88 Ca 0.19 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2kjg h THR 88 Cb 0.43 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2kjg h THR 88 CO 0.01 0.10 0.05 0.74 0.37 0.00 0.00 175.52 176.78 2kjg h THR 89 N 0.52 1.23 -0.00 3.16 2.02 -0.37 -2.98 112.91 116.49 2kjg h THR 89 Ca 0.19 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2kjg h THR 89 Cb 0.12 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2kjg h THR 89 CO -0.05 0.25 -0.23 2.30 0.37 0.00 0.00 175.52 178.16 2kjg n ILE 90 N -4.66 0.00 -3.13 3.11 -5.35 -1.01 -4.68 119.36 103.64 2kjg n ILE 90 Ca -0.03 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.05 2kjg n ILE 90 Cb 0.21 -0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.94 4.40 -0.01 6.28 -0.14 -0.66 -4.91 119.74 121.76 2kjg s LYS 91 Ca 0.14 0.76 -0.24 0.00 -1.36 0.00 0.00 55.97 55.27 2kjg s LYS 91 Cb 0.18 -3.43 -0.16 0.00 -1.68 0.00 0.00 37.83 32.74 2kjg s LYS 91 CO 0.60 0.13 1.11 -0.07 -0.76 0.00 0.00 175.35 176.36 2kjg h LEU 92 N 6.59 -0.27 -2.39 3.17 3.38 -1.85 -3.47 115.31 120.48 2kjg h LEU 92 Ca -0.42 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2kjg h LEU 92 Cb 1.19 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kjg h LEU 92 CO 0.75 0.17 -0.33 1.21 0.09 0.00 0.00 178.44 180.32 2kjg n GLU 93 N -5.04 -1.87 -4.58 1.13 4.07 -1.26 -5.05 120.64 108.03 2kjg n GLU 93 Ca -0.09 1.80 -0.29 0.00 -0.06 0.00 0.00 57.16 58.52 2kjg n GLU 93 Cb 0.26 -5.21 -0.17 0.00 -0.06 0.00 0.00 31.44 26.27 2kjg n GLU 93 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kjg s HIS 94 N -2.56 2.04 0.44 4.31 5.65 -1.26 -5.12 115.29 118.78 2kjg s HIS 94 Ca 0.16 -0.93 -0.21 0.00 0.25 0.00 0.00 55.06 54.34 2kjg s HIS 94 Cb -0.05 -1.45 -0.11 0.00 -1.18 0.00 0.00 32.58 29.80 2kjg s HIS 94 CO 0.67 -0.46 0.96 -1.01 -0.65 0.00 0.00 174.74 174.26 2kjg s HIS 95 N 0.85 3.27 -0.96 3.88 3.76 -1.26 -4.96 115.29 119.87 2kjg s HIS 95 Ca -0.09 1.61 -0.23 0.00 -0.15 0.00 0.00 55.06 56.19 2kjg s HIS 95 Cb -0.15 -2.88 0.05 0.00 1.11 0.00 0.00 32.58 30.71 2kjg s HIS 95 CO 0.00 -0.20 1.38 -1.58 -0.85 0.00 0.00 174.74 173.49 2kjg s HIS 96 N -2.16 2.55 0.11 1.40 2.46 -1.26 -4.96 115.29 113.44 2kjg s HIS 96 Ca 0.63 -0.76 -0.31 0.00 0.47 0.00 0.00 55.06 55.09 2kjg s HIS 96 Cb -0.10 -4.64 -0.10 0.00 -0.13 0.00 0.00 32.58 27.61 2kjg s HIS 96 CO 0.14 -1.91 1.85 -1.58 -2.47 0.00 0.00 174.74 170.77 2kjg s HIS 97 N 4.87 2.02 -0.06 3.88 2.46 -1.26 -4.96 115.29 122.23 2kjg s HIS 97 Ca 0.42 -0.09 -0.05 0.00 0.47 0.00 0.00 55.06 55.81 2kjg s HIS 97 Cb -0.02 -4.19 0.02 0.00 -0.13 0.00 0.00 32.58 28.25 2kjg s HIS 97 CO -0.06 -4.98 0.15 -1.58 -2.47 0.00 0.00 174.74 165.81 2kjg s HIS 98 N 2.99 -0.16 -2.86 3.88 5.04 -1.26 -5.33 115.29 117.59 2kjg s HIS 98 Ca 0.82 0.40 0.25 0.00 -1.54 0.00 0.00 55.06 54.99 2kjg s HIS 98 Cb -0.46 0.05 0.43 0.00 0.04 0.00 0.00 32.58 32.64 2kjg s HIS 98 CO 0.37 -0.08 1.39 -2.39 -2.34 0.00 0.00 174.74 171.69