#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 2.88 -1.26 -2.32 113.62 120.75 2kjg n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kjg n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kjg n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kjg n ILE 3 N 0.00 0.00 1.29 2.46 3.06 -1.26 -4.79 119.36 120.12 2kjg n ILE 3 Ca 0.00 -0.03 0.11 0.00 -2.50 0.00 0.00 62.75 60.33 2kjg n ILE 3 Cb 0.00 0.81 0.63 0.00 0.54 0.00 0.00 39.64 41.62 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 -0.09 0.00 0.02 9.51 4.77 -0.98 -2.20 117.00 128.03 2kjg n LEU 4 Ca 0.00 0.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2kjg n LEU 4 Cb 0.00 -0.08 0.42 0.00 -2.33 0.00 0.00 43.42 41.43 2kjg n LEU 4 CO 0.00 -0.02 0.71 -0.62 -1.33 0.00 0.00 177.39 176.13 2kjg n GLU 5 N -1.08 0.07 -3.39 3.23 1.02 -1.26 -4.87 120.64 114.35 2kjg n GLU 5 Ca 0.15 0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 56.95 2kjg n GLU 5 Cb 0.10 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 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 -3.33 6.71 0.43 1.62 -1.08 -0.94 -4.96 116.67 115.12 2kjg s ASP 6 Ca 0.12 0.84 0.16 0.00 -0.52 0.00 0.00 52.55 53.15 2kjg s ASP 6 Cb 0.17 -2.27 0.97 0.00 -1.46 0.00 0.00 42.92 40.33 2kjg s ASP 6 CO 0.62 0.12 1.94 -0.65 0.52 0.00 0.00 175.17 177.71 2kjg h PRO 7 N 6.04 0.00 -0.06 4.34 0.11 -1.91 -2.20 132.00 138.32 2kjg h PRO 7 Ca -0.44 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 2kjg h PRO 7 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kjg h PRO 7 CO 0.71 0.25 -0.92 0.93 -0.21 0.00 0.00 178.00 178.76 2kjg h GLU 8 N 0.00 0.70 -0.39 1.05 4.39 -1.96 -2.66 114.58 115.70 2kjg h GLU 8 Ca -0.00 -0.67 -0.05 0.00 0.34 0.00 0.00 59.36 58.98 2kjg h GLU 8 Cb 0.47 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 2kjg h GLU 8 CO 0.03 1.26 0.04 0.35 -1.16 0.00 0.00 179.01 179.54 2kjg h PHE 9 N 0.43 0.71 -0.35 4.33 3.57 -1.84 -0.08 116.94 123.71 2kjg h PHE 9 Ca -0.09 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 2kjg h PHE 9 Cb 1.56 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 2kjg h PHE 9 CO 0.09 0.71 0.00 -0.24 -2.23 0.00 0.00 178.31 176.65 2kjg h VAL 10 N 0.51 1.20 -0.36 1.41 3.04 -1.45 -1.47 116.25 119.14 2kjg h VAL 10 Ca 0.12 -0.80 -0.11 0.00 -1.01 0.00 0.00 66.70 64.89 2kjg h VAL 10 Cb 0.40 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2kjg h VAL 10 CO 0.01 0.28 -0.24 0.11 -1.01 0.00 0.00 177.57 176.72 2kjg h LYS 11 N 0.53 0.71 -0.96 4.17 1.57 -1.08 -2.70 116.57 118.80 2kjg h LYS 11 Ca 0.11 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2kjg h LYS 11 Cb 0.34 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2kjg h LYS 11 CO 0.01 0.89 0.63 -0.07 -0.57 0.00 0.00 179.45 180.34 2kjg h LEU 12 N 0.62 1.08 -0.81 2.94 3.38 -0.02 0.29 115.31 122.78 2kjg h LEU 12 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kjg h LEU 12 Cb 0.74 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2kjg h LEU 12 CO 0.06 0.76 0.46 0.03 0.09 0.00 0.00 178.44 179.84 2kjg h ARG 13 N 1.26 1.13 0.00 1.13 2.47 -1.17 0.22 114.38 119.41 2kjg h ARG 13 Ca 0.37 -0.12 -0.15 0.00 -1.26 0.00 0.00 59.98 58.82 2kjg h ARG 13 Cb -0.07 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.00 2kjg h ARG 13 CO -0.10 0.82 -0.71 1.96 0.56 0.00 0.00 179.97 182.49 2kjg h GLN 14 N 1.13 0.00 0.00 0.04 4.20 -1.09 -3.37 115.11 116.01 2kjg h GLN 14 Ca 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2kjg h GLN 14 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2kjg h GLN 14 CO -0.05 0.71 -0.13 0.35 -0.67 0.00 0.00 178.83 179.05 2kjg h PHE 15 N 0.00 0.00 -2.19 2.96 3.57 -0.11 -3.45 116.94 117.72 2kjg h PHE 15 Ca -0.01 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2kjg h PHE 15 Cb 1.53 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.21 2kjg h PHE 15 CO 0.00 0.08 -0.69 1.63 -2.23 0.00 0.00 178.31 177.10 2kjg n LYS 16 N -4.73 -2.25 -4.58 1.11 5.02 0.73 -4.99 118.16 108.46 2kjg n LYS 16 Ca -0.03 1.79 -0.31 0.00 -2.02 0.00 0.00 58.31 57.75 2kjg n LYS 16 Cb 0.09 -2.40 -0.12 0.00 -0.02 0.00 0.00 35.03 32.59 2kjg n LYS 16 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2kjg s GLY 17 N -5.26 1.64 -0.36 0.72 0.00 -1.26 -4.97 107.32 97.82 2kjg s GLY 17 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2kjg s GLY 17 CO 0.00 -1.01 1.75 0.28 0.00 0.00 0.00 173.10 174.12 2kjg n LYS 18 N 1.54 1.98 -2.59 2.90 4.01 -1.26 -4.93 118.16 119.81 2kjg n LYS 18 Ca -0.16 -2.23 -0.25 0.00 -0.51 0.00 0.00 58.31 55.16 2kjg n LYS 18 Cb 0.52 -1.87 0.02 0.00 -0.51 0.00 0.00 35.03 33.19 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 -2.64 3.81 -0.25 -0.18 -7.23 -1.26 -5.00 120.40 107.65 2kjg s VAL 19 Ca 0.43 -0.14 -0.24 0.00 -1.81 0.00 0.00 61.98 60.21 2kjg s VAL 19 Cb 0.35 -3.48 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 2kjg s VAL 19 CO 0.06 -0.44 0.80 0.21 -0.31 0.00 0.00 175.10 175.42 2kjg s ASN 20 N -4.27 6.78 0.38 4.85 3.84 -1.26 -4.93 114.94 120.33 2kjg s ASN 20 Ca 0.52 0.95 0.11 0.00 0.21 0.00 0.00 52.86 54.65 2kjg s ASN 20 Cb -0.10 -2.42 0.89 0.00 -0.55 0.00 0.00 41.25 39.07 2kjg s ASN 20 CO 0.43 -0.51 1.90 0.15 -2.79 0.00 0.00 177.10 176.28 2kjg h PHE 21 N 7.75 0.69 -0.18 0.43 3.57 -1.97 -0.07 116.94 127.17 2kjg h PHE 21 Ca -0.24 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.15 2kjg h PHE 21 Cb 1.10 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2kjg h PHE 21 CO 0.76 0.27 -0.47 -0.91 -2.23 0.00 0.00 178.31 175.72 2kjg h ASN 22 N 0.60 0.50 0.05 0.41 2.35 -1.98 -0.33 115.58 117.18 2kjg h ASN 22 Ca 0.40 -0.24 -0.22 0.00 -0.55 0.00 0.00 56.30 55.69 2kjg h ASN 22 Cb 0.71 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.95 2kjg h ASN 22 CO -0.16 0.90 -0.88 0.25 -1.65 0.00 0.00 177.43 175.89 2kjg h LEU 23 N 0.37 0.70 -0.60 1.61 5.85 -1.63 -1.48 115.31 120.14 2kjg h LEU 23 Ca 0.02 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 2kjg h LEU 23 Cb 0.97 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2kjg h LEU 23 CO 0.09 1.41 0.35 0.58 -0.34 0.00 0.00 178.44 180.52 2kjg h VAL 24 N 0.07 1.18 -0.36 1.05 2.07 -0.93 0.33 116.25 119.66 2kjg h VAL 24 Ca -0.12 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kjg h VAL 24 Cb 1.58 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2kjg h VAL 24 CO 0.17 0.19 0.21 -0.03 0.02 0.00 0.00 177.57 178.14 2kjg h MET 25 N 0.81 0.48 -0.03 1.57 1.85 -1.04 -1.00 114.93 117.57 2kjg h MET 25 Ca 0.21 -0.04 -0.25 0.00 -0.61 0.00 0.00 59.70 59.02 2kjg h MET 25 Cb 0.01 -0.10 0.01 0.00 0.43 0.00 0.00 31.60 31.95 2kjg h MET 25 CO -0.04 0.35 -0.97 0.37 -0.40 0.00 0.00 176.91 176.22 2kjg h GLN 26 N 0.49 0.65 0.06 0.39 4.15 -0.14 -2.18 115.11 118.53 2kjg h GLN 26 Ca 0.13 -0.66 0.02 0.00 0.77 0.00 0.00 58.65 58.91 2kjg h GLN 26 Cb -0.01 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2kjg h GLN 26 CO -0.02 1.26 -0.15 0.82 -1.93 0.00 0.00 178.83 178.80 2kjg h ILE 27 N 0.38 0.65 -0.02 2.39 1.08 0.83 0.51 117.51 123.33 2kjg h ILE 27 Ca -0.10 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.24 2kjg h ILE 27 Cb 1.61 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 2kjg h ILE 27 CO 0.19 0.00 -0.57 0.17 -0.69 0.00 0.00 178.15 177.25 2kjg h LEU 28 N -0.28 0.06 -0.27 1.44 8.10 -1.35 -2.28 115.31 120.73 2kjg h LEU 28 Ca 0.03 -0.03 -0.08 0.00 0.11 0.00 0.00 57.88 57.92 2kjg h LEU 28 Cb 0.31 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 2kjg h LEU 28 CO -0.11 0.61 -0.13 -0.78 -4.11 0.00 0.00 178.44 173.93 2kjg h ASP 29 N 0.04 0.58 -0.57 0.17 3.58 -0.98 -2.13 116.42 117.11 2kjg h ASP 29 Ca -0.00 -0.41 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 2kjg h ASP 29 Cb 1.02 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.88 2kjg h ASP 29 CO 0.08 0.86 0.14 -0.08 -2.88 0.00 0.00 179.24 177.36 2kjg h GLU 30 N 0.30 0.96 -0.31 0.28 4.81 0.23 0.22 114.58 121.06 2kjg h GLU 30 Ca 0.06 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 2kjg h GLU 30 Cb 0.65 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2kjg h GLU 30 CO 0.04 0.86 -0.37 -0.84 -0.73 0.00 0.00 179.01 177.97 2kjg h ILE 31 N 0.91 1.29 0.39 2.32 3.07 -1.41 -2.66 117.51 121.42 2kjg h ILE 31 Ca 0.19 -1.54 -0.01 0.00 1.55 0.00 0.00 64.86 65.05 2kjg h ILE 31 Cb 0.34 1.55 -0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2kjg h ILE 31 CO 0.00 0.50 -0.23 -0.08 -1.05 0.00 0.00 178.15 177.30 2kjg h GLU 32 N 0.57 -0.56 -0.35 0.16 4.81 -0.66 0.18 114.58 118.72 2kjg h GLU 32 Ca 0.04 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2kjg h GLU 32 Cb 0.95 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 2kjg h GLU 32 CO 0.09 -0.37 0.03 1.37 -0.73 0.00 0.00 179.01 179.39 2kjg h LEU 33 N -0.58 0.50 0.02 1.64 8.10 -0.67 -2.21 115.31 122.11 2kjg h LEU 33 Ca -0.05 -0.09 -0.25 0.00 0.11 0.00 0.00 57.88 57.60 2kjg h LEU 33 Cb 0.47 -0.13 0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2kjg h LEU 33 CO 0.06 0.55 -1.01 -0.78 -4.11 0.00 0.00 178.44 173.15 2kjg h ASP 34 N 0.52 0.85 0.09 0.17 3.58 -1.24 -3.17 116.42 117.22 2kjg h ASP 34 Ca 0.11 -0.76 -0.00 0.00 0.42 0.00 0.00 57.03 56.80 2kjg h ASP 34 Cb 0.30 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2kjg h ASP 34 CO 0.01 1.50 -0.02 0.25 -2.88 0.00 0.00 179.24 178.10 2kjg h LEU 35 N 0.29 0.00 -1.98 2.28 5.85 -0.34 -2.24 115.31 119.17 2kjg h LEU 35 Ca -0.13 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.68 2kjg h LEU 35 Cb 1.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2kjg h LEU 35 CO 0.20 0.02 0.42 0.03 -0.34 0.00 0.00 178.44 178.76 2kjg h ARG 36 N 0.00 0.00 0.00 1.25 2.47 -1.38 -3.26 114.38 113.46 2kjg h ARG 36 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kjg h ARG 36 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2kjg h ARG 36 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2kjg n GLY 37 N -1.44 -0.51 0.00 0.04 0.00 -0.84 -4.99 105.19 97.44 2kjg n GLY 37 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.14 0.00 -2.72 1.61 7.64 -1.23 -5.15 113.62 113.63 2kjg n SER 38 Ca 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.45 2kjg n SER 38 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -0.02 -4.52 6.43 5.75 -1.26 -5.06 116.55 117.86 2kjg n ASP 39 Ca 0.00 -0.31 -0.31 0.00 -0.01 0.00 0.00 54.79 54.16 2kjg n ASP 39 Cb 0.11 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.04 4.18 0.35 -1.12 3.84 -1.26 -4.98 114.94 114.91 2kjg s ASN 40 Ca 0.00 -0.29 0.05 0.00 0.21 0.00 0.00 52.86 52.83 2kjg s ASN 40 Cb 0.00 -0.83 0.69 0.00 -0.55 0.00 0.00 41.25 40.56 2kjg s ASN 40 CO 0.00 0.27 1.96 -0.29 -2.79 0.00 0.00 177.10 176.25 2kjg h ILE 41 N 3.87 1.04 -0.33 -5.21 2.10 -1.96 0.20 117.51 117.23 2kjg h ILE 41 Ca -0.48 -0.28 -0.02 0.00 1.08 0.00 0.00 64.86 65.16 2kjg h ILE 41 Cb 1.16 0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 2kjg h ILE 41 CO 0.51 0.15 0.12 0.07 -1.08 0.00 0.00 178.15 177.92 2kjg h LYS 42 N 0.82 0.47 -0.07 2.19 2.10 -1.95 0.14 116.57 120.26 2kjg h LYS 42 Ca 0.32 -0.06 -0.20 0.00 -2.00 0.00 0.00 60.65 58.71 2kjg h LYS 42 Cb 0.21 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 31.47 2kjg h LYS 42 CO -0.11 0.40 -0.75 1.15 -2.00 0.00 0.00 179.45 178.14 2kjg h THR 43 N 0.47 1.33 -0.94 0.07 2.02 -1.13 -2.75 112.91 111.98 2kjg h THR 43 Ca 0.12 -2.03 0.04 0.00 0.77 0.00 0.00 66.41 65.31 2kjg h THR 43 Cb 0.11 2.25 -0.06 0.00 -1.74 0.00 0.00 68.15 68.72 2kjg h THR 43 CO -0.01 0.62 0.61 0.28 0.37 0.00 0.00 175.52 177.39 2kjg h SER 44 N 0.28 1.01 -0.51 4.18 0.02 -0.25 -2.02 113.55 116.26 2kjg h SER 44 Ca -0.07 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2kjg h SER 44 Cb 1.41 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2kjg h SER 44 CO 0.15 0.68 0.15 0.40 -1.14 0.00 0.00 176.83 177.07 2kjg h ILE 45 N 1.17 0.77 -0.31 3.27 1.08 -0.63 -2.79 117.51 120.07 2kjg h ILE 45 Ca 0.38 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.81 2kjg h ILE 45 Cb 0.03 0.45 -0.07 0.00 -3.07 0.00 0.00 36.82 34.15 2kjg h ILE 45 CO -0.13 0.06 -0.16 0.40 -0.69 0.00 0.00 178.15 177.63 2kjg h ILE 46 N 0.30 0.52 0.31 -0.67 2.04 -1.07 0.12 117.51 119.08 2kjg h ILE 46 Ca 0.25 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 2kjg h ILE 46 Cb 0.30 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2kjg h ILE 46 CO -0.29 0.00 -0.16 1.88 0.00 0.00 0.00 178.15 179.58 2kjg h TYR 47 N -0.12 -0.42 -0.47 1.37 0.05 -1.39 0.26 116.97 116.26 2kjg h TYR 47 Ca 0.16 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 2kjg h TYR 47 Cb 0.36 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 2kjg h TYR 47 CO -0.36 -0.26 -0.05 0.28 -1.05 0.00 0.00 178.16 176.72 2kjg h VAL 48 N -0.44 1.27 -0.40 -2.88 2.07 -1.33 -0.85 116.25 113.69 2kjg h VAL 48 Ca -0.04 -1.15 -0.14 0.00 0.82 0.00 0.00 66.70 66.19 2kjg h VAL 48 Cb 0.35 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kjg h VAL 48 CO 0.06 0.40 -0.30 1.88 0.02 0.00 0.00 177.57 179.62 2kjg h TYR 49 N 0.71 1.03 0.00 1.57 -1.99 -0.88 0.13 116.97 117.54 2kjg h TYR 49 Ca 0.13 -0.28 -0.07 0.00 2.00 0.00 0.00 58.73 60.51 2kjg h TYR 49 Cb 0.58 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 2kjg h TYR 49 CO 0.04 1.07 -0.33 1.03 -0.00 0.00 0.00 178.16 179.97 2kjg h SER 50 N 0.75 0.00 0.04 3.88 0.87 -0.70 -2.23 113.55 116.16 2kjg h SER 50 Ca 0.08 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 2kjg h SER 50 Cb 0.87 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2kjg h SER 50 CO 0.08 0.33 -0.53 -1.28 -0.53 0.00 0.00 176.83 174.90 2kjg h SER 51 N 0.00 0.14 -1.07 6.23 0.87 -0.86 -3.37 113.55 115.49 2kjg h SER 51 Ca -0.00 -0.89 -0.68 0.00 -1.23 0.00 0.00 61.79 58.98 2kjg h SER 51 Cb 0.76 -0.04 -0.30 0.00 -0.44 0.00 0.00 62.40 62.37 2kjg h SER 51 CO 0.04 1.23 0.80 1.41 -0.53 0.00 0.00 176.83 179.78 2kjg n HIS 52 N -4.41 3.19 -0.34 2.24 8.25 0.43 -4.74 115.22 119.85 2kjg n HIS 52 Ca -0.16 -2.93 0.20 0.00 -0.26 0.00 0.00 57.72 54.57 2kjg n HIS 52 Cb 0.63 -1.37 0.43 0.00 1.12 0.00 0.00 29.99 30.80 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 2.10 0.61 -0.24 2.41 3.38 -1.57 -2.59 115.31 119.41 2kjg h LEU 53 Ca 0.59 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.77 2kjg h LEU 53 Cb 0.78 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2kjg h LEU 53 CO 1.54 0.01 -0.11 -0.78 0.09 0.00 0.00 178.44 179.19 2kjg h ASP 54 N 0.48 -0.37 0.17 -0.43 1.82 -1.87 0.14 116.42 116.35 2kjg h ASP 54 Ca 0.68 0.09 -0.18 0.00 -0.39 0.00 0.00 57.03 57.23 2kjg h ASP 54 Cb 1.42 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.63 2kjg h ASP 54 CO -0.52 -0.14 -0.70 -0.08 -1.61 0.00 0.00 179.24 176.18 2kjg h GLU 55 N -0.08 0.47 0.04 0.28 4.57 -1.87 -1.99 114.58 116.01 2kjg h GLU 55 Ca 0.13 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2kjg h GLU 55 Cb 0.27 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2kjg h GLU 55 CO -0.29 1.00 -0.07 0.82 -1.18 0.00 0.00 179.01 179.29 2kjg h ILE 56 N 0.33 0.82 0.00 2.32 1.08 -1.24 -1.08 117.51 119.74 2kjg h ILE 56 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2kjg h ILE 56 Cb 1.28 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2kjg h ILE 56 CO 0.13 0.00 0.00 0.08 -0.69 0.00 0.00 178.15 177.67 2kjg h ARG 57 N -0.15 0.00 -0.01 2.37 0.11 -0.76 -1.33 114.38 114.62 2kjg h ARG 57 Ca 0.02 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.06 2kjg h ARG 57 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2kjg h ARG 57 CO -0.05 0.00 -0.14 -0.22 0.10 0.00 0.00 179.97 179.67 2kjg h LYS 58 N 0.00 0.11 -1.84 0.08 3.11 -0.67 -3.34 116.57 114.02 2kjg h LYS 58 Ca 0.00 -0.10 -0.62 0.00 -2.81 0.00 0.00 60.65 57.11 2kjg h LYS 58 Cb 0.70 0.03 -0.40 0.00 -1.00 0.00 0.00 32.23 31.56 2kjg h LYS 58 CO 0.00 0.83 -0.42 0.09 -2.81 0.00 0.00 179.45 177.14 2kjg n ASN 59 N -4.61 5.09 -0.37 4.20 3.02 -0.47 -4.87 115.26 117.24 2kjg n ASN 59 Ca -0.09 -3.72 0.03 0.00 -0.03 0.00 0.00 54.58 50.76 2kjg n ASN 59 Cb 0.43 -0.59 0.18 0.00 -0.61 0.00 0.00 39.78 39.19 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 2.83 1.14 -0.64 3.52 2.10 -1.36 -0.81 116.57 123.36 2kjg h LYS 60 Ca 0.29 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.85 2kjg h LYS 60 Cb 0.67 -0.26 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 2kjg h LYS 60 CO 0.92 0.75 0.30 0.93 -2.00 0.00 0.00 179.45 180.35 2kjg h GLU 61 N 1.17 0.91 -0.03 0.07 4.39 -1.89 0.17 114.58 119.37 2kjg h GLU 61 Ca 0.44 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2kjg h GLU 61 Cb 0.18 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kjg h GLU 61 CO -0.17 0.71 -0.02 0.35 -1.16 0.00 0.00 179.01 178.71 2kjg h PHE 62 N 0.91 0.08 -0.17 4.33 3.57 -1.56 -2.63 116.94 121.47 2kjg h PHE 62 Ca 0.22 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2kjg h PHE 62 Cb 0.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2kjg h PHE 62 CO 0.01 0.50 -0.35 1.88 -2.23 0.00 0.00 178.31 178.12 2kjg h TYR 63 N -0.36 0.40 -0.18 0.41 0.05 -1.03 0.39 116.97 116.66 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 0.48 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2kjg h TYR 63 CO 0.08 0.66 0.10 0.22 -1.05 0.00 0.00 178.16 178.17 2kjg h ASP 64 N 0.30 0.21 -0.19 3.88 1.82 -0.68 0.03 116.42 121.80 2kjg h ASP 64 Ca 0.03 -0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.55 2kjg h ASP 64 Cb 0.76 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 2kjg h ASP 64 CO 0.06 0.22 -0.12 0.24 -1.61 0.00 0.00 179.24 178.02 2kjg h MET 65 N 0.20 0.41 -0.33 0.28 2.86 -1.24 -3.01 114.93 114.10 2kjg h MET 65 Ca 0.06 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 2kjg h MET 65 Cb 0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kjg h MET 65 CO -0.01 0.73 -0.36 -0.84 1.06 0.00 0.00 176.91 177.50 2kjg h ILE 66 N 0.09 1.28 -0.88 -1.22 3.07 -0.84 -0.48 117.51 118.53 2kjg h ILE 66 Ca 0.04 -1.52 0.05 0.00 1.55 0.00 0.00 64.86 64.98 2kjg h ILE 66 Cb 0.63 1.41 -0.05 0.00 -0.27 0.00 0.00 36.82 38.53 2kjg h ILE 66 CO 0.03 0.50 0.57 0.00 -1.05 0.00 0.00 178.15 178.20 2kjg h ALA 67 N 0.96 1.49 0.54 0.16 0.00 -1.06 0.47 119.26 121.83 2kjg h ALA 67 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kjg h ALA 67 Cb 0.90 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kjg h ALA 67 CO 0.08 0.40 -0.26 1.49 0.00 0.00 0.00 179.25 180.96 2kjg h GLU 68 N 1.04 -0.69 -0.92 0.00 4.57 -1.34 -3.10 114.58 114.13 2kjg h GLU 68 Ca 0.36 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.61 2kjg h GLU 68 Cb 0.11 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2kjg h GLU 68 CO -0.12 -0.40 0.61 0.82 -1.18 0.00 0.00 179.01 178.74 2kjg h ILE 69 N -0.90 1.20 -0.23 2.32 2.04 -0.26 -1.47 117.51 120.22 2kjg h ILE 69 Ca -0.07 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.42 2kjg h ILE 69 Cb 0.62 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2kjg h ILE 69 CO 0.12 0.22 -0.12 -0.07 0.00 0.00 0.00 178.15 178.30 2kjg h LEU 70 N 1.21 -0.39 -0.02 1.44 3.38 -0.10 0.34 115.31 121.17 2kjg h LEU 70 Ca 0.35 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 2kjg h LEU 70 Cb -0.08 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kjg h LEU 70 CO -0.09 -0.15 -0.03 1.56 0.09 0.00 0.00 178.44 179.82 2kjg h GLN 71 N -0.09 0.05 -0.95 1.13 4.20 -1.41 -1.35 115.11 116.69 2kjg h GLN 71 Ca 0.13 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.92 2kjg h GLN 71 Cb 0.28 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 2kjg h GLN 71 CO -0.29 0.58 0.61 -0.09 -0.67 0.00 0.00 178.83 178.97 2kjg h ARG 72 N -0.47 0.89 0.00 1.46 2.43 -1.09 -2.27 114.38 115.33 2kjg h ARG 72 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kjg h ARG 72 Cb 0.58 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2kjg h ARG 72 CO 0.01 0.59 -1.46 0.66 -1.51 0.00 0.00 179.97 178.26 2kjg n TYR 73 N -4.58 0.01 0.22 2.20 4.02 0.12 -3.91 117.16 115.24 2kjg n TYR 73 Ca 0.18 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.15 2kjg n TYR 73 Cb 0.36 -0.24 0.53 0.00 -0.02 0.00 0.00 39.34 39.97 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 0.00 0.00 -0.72 3.20 -0.65 0.18 116.97 118.97 2kjg h TYR 74 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kjg h TYR 74 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2kjg h TYR 74 CO 0.00 0.24 0.00 0.87 -1.64 0.00 0.00 178.16 177.63 2kjg h LYS 75 N 0.00 0.00 0.00 1.82 1.79 -1.62 -2.70 116.57 115.86 2kjg h LYS 75 Ca -0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.07 2kjg h LYS 75 Cb 0.55 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 2kjg h LYS 75 CO 0.03 0.00 -2.31 1.63 -1.08 0.00 0.00 179.45 177.72 2kjg n LYS 76 N -2.76 0.58 -0.01 3.15 5.02 -0.49 -4.84 118.16 118.81 2kjg n LYS 76 Ca 0.04 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.58 2kjg n LYS 76 Cb 0.45 -1.48 -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 -0.52 0.00 0.00 177.40 177.32 2kjg n ILE 77 N -4.28 0.13 0.00 -0.18 -5.35 0.50 -5.12 119.36 105.05 2kjg n ILE 77 Ca -0.48 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2kjg n ILE 77 Cb 0.83 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 2.70 3.22 0.30 3.28 0.00 -0.84 -4.70 105.19 109.15 2kjg n GLY 78 Ca -0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 1.18 -0.42 -0.61 6.09 -1.83 -1.95 117.51 119.97 2kjg h ILE 79 Ca 0.00 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 63.08 2kjg h ILE 79 Cb 0.00 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.34 2kjg h ILE 79 CO 0.00 0.19 0.01 -0.33 -3.07 0.00 0.00 178.15 174.94 2kjg h GLU 80 N 1.02 0.67 -0.20 2.19 5.08 -1.96 0.37 114.58 121.76 2kjg h GLU 80 Ca 0.29 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2kjg h GLU 80 Cb -0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2kjg h GLU 80 CO -0.07 0.69 0.05 -0.91 -1.00 0.00 0.00 179.01 177.76 2kjg h ASN 81 N 0.64 0.30 -0.59 1.42 4.21 -1.73 -2.58 115.58 117.24 2kjg h ASN 81 Ca 0.13 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.37 2kjg h ASN 81 Cb 0.39 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 2kjg h ASN 81 CO 0.01 0.45 0.20 0.58 -1.29 0.00 0.00 177.43 177.38 2kjg h VAL 82 N 0.13 1.24 -0.53 2.81 2.07 -0.51 -0.28 116.25 121.19 2kjg h VAL 82 Ca 0.06 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 66.89 2kjg h VAL 82 Cb 0.26 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 2kjg h VAL 82 CO 0.00 0.30 0.05 0.78 0.02 0.00 0.00 177.57 178.72 2kjg h ASN 83 N 0.83 -0.13 -0.26 0.57 2.35 -0.25 0.40 115.58 119.09 2kjg h ASN 83 Ca 0.19 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 2kjg h ASN 83 Cb 0.27 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2kjg h ASN 83 CO -0.01 -0.04 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.05 2kjg h GLN 84 N 0.17 0.52 -0.85 0.81 -0.00 -1.11 -2.78 115.11 111.87 2kjg h GLN 84 Ca 0.27 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 2kjg h GLN 84 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.81 2kjg h GLN 84 CO -0.40 0.73 0.43 -0.07 0.00 0.00 0.00 178.83 179.52 2kjg h LEU 85 N 0.26 1.08 -0.77 -2.39 3.38 0.10 -0.17 115.31 116.81 2kjg h LEU 85 Ca 0.07 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2kjg h LEU 85 Cb 0.55 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2kjg h LEU 85 CO 0.03 0.89 0.28 0.40 0.09 0.00 0.00 178.44 180.13 2kjg h ILE 86 N 1.20 1.26 -0.52 1.22 1.08 -0.21 0.14 117.51 121.68 2kjg h ILE 86 Ca 0.30 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 2kjg h ILE 86 Cb 0.08 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2kjg h ILE 86 CO -0.04 0.34 0.08 -0.07 -0.69 0.00 0.00 178.15 177.77 2kjg h LEU 87 N 1.13 0.78 -1.06 1.44 3.38 -1.12 -1.55 115.31 118.30 2kjg h LEU 87 Ca 0.25 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2kjg h LEU 87 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kjg h LEU 87 CO -0.02 0.79 -0.17 0.74 0.09 0.00 0.00 178.44 179.88 2kjg h THR 88 N 0.78 1.24 -0.66 0.22 2.02 -0.24 0.35 112.91 116.62 2kjg h THR 88 Ca 0.16 -1.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 2kjg h THR 88 Cb 0.36 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2kjg h THR 88 CO 0.01 0.35 0.17 0.74 0.37 0.00 0.00 175.52 177.16 2kjg h THR 89 N 0.43 1.26 0.04 3.16 2.02 0.29 -1.61 112.91 118.51 2kjg h THR 89 Ca 0.08 -0.93 -0.34 0.00 0.77 0.00 0.00 66.41 65.99 2kjg h THR 89 Cb 0.54 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2kjg h THR 89 CO 0.03 0.35 -1.99 2.30 0.37 0.00 0.00 175.52 176.59 2kjg n ILE 90 N -4.30 1.62 -2.24 3.11 -5.35 -1.08 -4.54 119.36 106.57 2kjg n ILE 90 Ca 0.04 -0.74 -0.14 0.00 -0.27 0.00 0.00 62.75 61.65 2kjg n ILE 90 Cb 0.25 -1.22 0.04 0.00 -1.74 0.00 0.00 39.64 36.97 2kjg n ILE 90 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2kjg n LYS 91 N -3.17 2.82 -2.73 6.28 4.81 0.10 -4.77 118.16 121.50 2kjg n LYS 91 Ca -0.27 -3.85 -0.04 0.00 -0.87 0.00 0.00 58.31 53.28 2kjg n LYS 91 Cb 1.06 -1.97 0.02 0.00 0.02 0.00 0.00 35.03 34.16 2kjg n LYS 91 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kjg n LEU 92 N -0.67 -2.81 -4.31 3.14 7.94 -0.61 -4.85 117.00 114.84 2kjg n LEU 92 Ca 0.30 -2.32 -0.32 0.00 -1.11 0.00 0.00 56.01 52.56 2kjg n LEU 92 Cb 0.91 0.70 -0.15 0.00 0.53 0.00 0.00 43.42 45.40 2kjg n LEU 92 CO 0.26 1.70 -0.50 -0.70 -1.11 0.00 0.00 177.39 177.04 2kjg s GLU 93 N 0.89 3.07 0.00 1.96 -6.30 -1.26 -4.57 118.70 112.49 2kjg s GLU 93 Ca 0.28 -0.78 0.00 0.00 -2.50 0.00 0.00 54.97 51.97 2kjg s GLU 93 Cb 0.05 -2.43 0.00 0.00 0.00 0.00 0.00 34.13 31.75 2kjg s GLU 93 CO -0.07 0.27 0.51 1.58 0.02 0.00 0.00 175.26 177.56 2kjg n HIS 94 N 3.32 0.00 -3.46 5.30 -0.00 -1.26 -4.97 115.22 114.15 2kjg n HIS 94 Ca -0.18 -0.12 -0.20 0.00 0.46 0.00 0.00 57.72 57.68 2kjg n HIS 94 Cb 0.53 -0.01 -0.12 0.00 -0.12 0.00 0.00 29.99 30.26 2kjg n HIS 94 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjg s HIS 95 N -0.24 -0.25 -0.32 1.57 3.76 -1.26 -5.11 115.29 113.45 2kjg s HIS 95 Ca 0.00 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 2kjg s HIS 95 Cb 0.00 -0.50 0.09 0.00 1.11 0.00 0.00 32.58 33.29 2kjg s HIS 95 CO 0.00 -0.77 0.02 -3.38 -0.85 0.00 0.00 174.74 169.76 2kjg s HIS 96 N 2.30 3.43 0.00 1.40 -3.43 -1.26 -4.83 115.29 112.90 2kjg s HIS 96 Ca 0.08 -2.71 0.00 0.00 -0.80 0.00 0.00 55.06 51.63 2kjg s HIS 96 Cb -0.15 -2.58 0.00 0.00 -1.43 0.00 0.00 32.58 28.42 2kjg s HIS 96 CO -0.25 -0.92 0.00 1.58 -2.00 0.00 0.00 174.74 173.15 2kjg n HIS 97 N 4.35 0.00 0.00 0.38 -0.00 -1.26 -4.69 115.22 114.00 2kjg n HIS 97 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2kjg n HIS 97 Cb 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 2kjg n HIS 97 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kjg n HIS 98 N 0.00 0.00 -0.92 1.57 -0.00 -1.26 -5.07 115.22 109.55 2kjg n HIS 98 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kjg n HIS 98 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kjg n HIS 98 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38