#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 -6.62 0.00 3.17 7.64 -1.26 -4.96 113.62 111.59 2kjg n SER 2 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2kjg n SER 2 Cb 0.00 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 2kjg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kjg n ILE 3 N 0.50 0.00 1.40 0.44 0.13 -1.26 -4.88 119.36 115.69 2kjg n ILE 3 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.66 2kjg n ILE 3 Cb 0.02 0.00 0.03 0.00 -0.84 0.00 0.00 39.64 38.85 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 -0.50 0.79 -0.44 9.51 4.77 -1.26 -3.42 117.00 126.45 2kjg n LEU 4 Ca 0.00 -0.40 0.05 0.00 -0.03 0.00 0.00 56.01 55.64 2kjg n LEU 4 Cb 0.00 -0.23 0.18 0.00 -2.33 0.00 0.00 43.42 41.04 2kjg n LEU 4 CO 0.00 0.17 0.64 -0.62 -1.33 0.00 0.00 177.39 176.25 2kjg n GLU 5 N -0.16 1.56 -4.70 3.23 1.02 -1.26 -4.83 120.64 115.50 2kjg n GLU 5 Ca 0.02 -0.86 -0.27 0.00 -0.02 0.00 0.00 57.16 56.04 2kjg n GLU 5 Cb 0.17 -1.23 -0.17 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.13 2.12 0.31 1.62 -1.08 -1.22 -5.02 116.67 112.27 2kjg s ASP 6 Ca 0.20 -0.37 0.13 0.00 -0.52 0.00 0.00 52.55 52.00 2kjg s ASP 6 Cb 0.10 -0.97 0.49 0.00 -1.46 0.00 0.00 42.92 41.07 2kjg s ASP 6 CO 0.14 0.06 1.67 -0.65 0.52 0.00 0.00 175.17 176.91 2kjg h PRO 7 N 6.98 0.00 -0.03 4.34 0.11 -1.93 -2.92 132.00 138.55 2kjg h PRO 7 Ca -0.28 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.62 2kjg h PRO 7 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kjg h PRO 7 CO 0.47 0.52 -0.87 0.93 -0.21 0.00 0.00 178.00 178.85 2kjg h GLU 8 N 0.00 0.42 -0.24 1.05 4.39 -1.95 -2.76 114.58 115.49 2kjg h GLU 8 Ca -0.01 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 2kjg h GLU 8 Cb 1.00 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2kjg h GLU 8 CO 0.07 1.07 0.14 0.35 -1.16 0.00 0.00 179.01 179.48 2kjg h PHE 9 N 0.26 0.32 -0.37 4.33 3.57 -1.89 -0.14 116.94 123.02 2kjg h PHE 9 Ca -0.06 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2kjg h PHE 9 Cb 1.48 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 2kjg h PHE 9 CO 0.06 0.25 0.05 -0.24 -2.23 0.00 0.00 178.31 176.20 2kjg h VAL 10 N 0.29 1.19 -0.06 1.41 3.04 -1.50 -1.44 116.25 119.18 2kjg h VAL 10 Ca 0.09 -0.70 -0.13 0.00 -1.01 0.00 0.00 66.70 64.94 2kjg h VAL 10 Cb 0.03 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2kjg h VAL 10 CO -0.02 0.25 -0.54 0.11 -1.01 0.00 0.00 177.57 176.36 2kjg h LYS 11 N 0.54 0.16 -0.58 4.17 1.57 -1.15 -2.86 116.57 118.42 2kjg h LYS 11 Ca 0.12 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2kjg h LYS 11 Cb 0.27 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2kjg h LYS 11 CO 0.00 0.67 0.23 -0.07 -0.57 0.00 0.00 179.45 179.71 2kjg h LEU 12 N 0.13 0.76 -0.99 2.94 3.38 0.03 0.53 115.31 122.09 2kjg h LEU 12 Ca -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2kjg h LEU 12 Cb 1.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2kjg h LEU 12 CO 0.08 0.69 0.39 -0.09 0.09 0.00 0.00 178.44 179.59 2kjg h ARG 13 N 0.83 1.10 0.09 1.13 9.65 -1.25 0.55 114.38 126.48 2kjg h ARG 13 Ca 0.20 -0.15 -0.26 0.00 -1.10 0.00 0.00 59.98 58.67 2kjg h ARG 13 Cb 0.16 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 2kjg h ARG 13 CO -0.02 0.84 -1.18 1.96 2.80 0.00 0.00 179.97 184.37 2kjg h GLN 14 N 1.10 0.19 -0.54 0.20 4.20 -1.13 -3.27 115.11 115.86 2kjg h GLN 14 Ca 0.27 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2kjg h GLN 14 Cb 0.09 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2kjg h GLN 14 CO -0.04 1.15 0.25 0.35 -0.67 0.00 0.00 178.83 179.87 2kjg h PHE 15 N 0.05 0.80 -5.42 2.96 3.57 0.38 -3.48 116.94 115.79 2kjg h PHE 15 Ca -0.10 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 2kjg h PHE 15 Cb 1.92 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 40.42 2kjg h PHE 15 CO 0.05 0.63 -0.06 1.17 -2.23 0.00 0.00 178.31 177.86 2kjg n LYS 16 N -4.55 -1.35 0.00 1.11 4.81 0.15 -4.52 118.16 113.81 2kjg n LYS 16 Ca 0.03 1.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.92 2kjg n LYS 16 Cb 0.13 -5.64 0.00 0.00 0.02 0.00 0.00 35.03 29.54 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 -1.75 1.68 2.73 3.14 0.00 -1.26 -4.79 105.19 104.93 2kjg n GLY 17 Ca -0.01 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.62 -4.37 1.61 5.02 -1.26 -4.94 118.16 112.60 2kjg n LYS 18 Ca 0.00 1.02 -0.18 0.00 -2.02 0.00 0.00 58.31 57.12 2kjg n LYS 18 Cb 0.00 -5.44 -0.10 0.00 -0.02 0.00 0.00 35.03 29.47 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 -2.25 0.89 -0.28 -0.18 -7.23 -1.26 -4.95 120.40 105.14 2kjg s VAL 19 Ca 0.00 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 57.88 2kjg s VAL 19 Cb 0.00 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.33 2kjg s VAL 19 CO 0.00 -0.08 1.00 0.21 -0.31 0.00 0.00 175.10 175.93 2kjg s ASN 20 N -3.37 6.94 0.46 4.85 3.84 -1.26 -4.91 114.94 121.48 2kjg s ASN 20 Ca 0.35 1.09 0.13 0.00 0.21 0.00 0.00 52.86 54.64 2kjg s ASN 20 Cb 0.08 -2.51 1.07 0.00 -0.55 0.00 0.00 41.25 39.33 2kjg s ASN 20 CO 0.13 -0.75 2.05 0.15 -2.79 0.00 0.00 177.10 175.89 2kjg h PHE 21 N 7.87 0.31 -0.48 0.43 3.57 -1.99 -2.14 116.94 124.51 2kjg h PHE 21 Ca -0.21 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.21 2kjg h PHE 21 Cb 1.07 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2kjg h PHE 21 CO 0.79 0.17 -0.05 -0.91 -2.23 0.00 0.00 178.31 176.09 2kjg h ASN 22 N 0.32 0.88 0.17 0.41 2.35 -2.00 -1.32 115.58 116.38 2kjg h ASN 22 Ca 0.16 -0.33 -0.27 0.00 -0.55 0.00 0.00 56.30 55.31 2kjg h ASN 22 Cb 0.25 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 38.41 2kjg h ASN 22 CO -0.04 1.00 -1.13 0.25 -1.65 0.00 0.00 177.43 175.87 2kjg h LEU 23 N 0.73 0.79 -0.82 1.61 5.85 -1.86 -2.88 115.31 118.73 2kjg h LEU 23 Ca 0.13 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.18 2kjg h LEU 23 Cb 0.58 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2kjg h LEU 23 CO 0.03 1.49 0.54 0.58 -0.34 0.00 0.00 178.44 180.75 2kjg h VAL 24 N 0.29 1.20 -0.93 1.05 2.07 -1.23 0.35 116.25 119.05 2kjg h VAL 24 Ca -0.15 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2kjg h VAL 24 Cb 1.79 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2kjg h VAL 24 CO 0.21 0.20 0.59 -0.03 0.02 0.00 0.00 177.57 178.57 2kjg h MET 25 N 1.11 1.08 -0.05 1.57 1.85 -1.24 -0.51 114.93 118.74 2kjg h MET 25 Ca 0.30 -0.07 -0.21 0.00 -0.61 0.00 0.00 59.70 59.12 2kjg h MET 25 Cb -0.12 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 31.67 2kjg h MET 25 CO -0.07 0.72 -0.85 0.37 -0.40 0.00 0.00 176.91 176.67 2kjg h GLN 26 N 1.12 0.47 -0.41 0.39 4.15 -1.03 -2.07 115.11 117.73 2kjg h GLN 26 Ca 0.39 -0.45 0.05 0.00 0.77 0.00 0.00 58.65 59.41 2kjg h GLN 26 Cb 0.09 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 2kjg h GLN 26 CO -0.15 1.09 0.16 0.82 -1.93 0.00 0.00 178.83 178.82 2kjg h ILE 27 N 0.29 0.89 -0.61 2.39 1.08 0.69 0.48 117.51 122.73 2kjg h ILE 27 Ca -0.06 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.23 2kjg h ILE 27 Cb 1.47 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 2kjg h ILE 27 CO 0.15 0.06 0.11 -0.07 -0.69 0.00 0.00 178.15 177.71 2kjg h LEU 28 N 0.33 0.96 -0.19 1.44 3.38 -1.13 -1.75 115.31 118.34 2kjg h LEU 28 Ca 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2kjg h LEU 28 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2kjg h LEU 28 CO -0.18 0.97 0.05 -0.78 0.09 0.00 0.00 178.44 178.59 2kjg h ASP 29 N 0.91 0.30 -0.48 -0.43 3.58 -0.65 -0.46 116.42 119.18 2kjg h ASP 29 Ca 0.19 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.42 2kjg h ASP 29 Cb 0.42 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 2kjg h ASP 29 CO 0.01 0.45 0.31 -0.08 -2.88 0.00 0.00 179.24 177.04 2kjg h GLU 30 N 0.13 0.60 -0.26 0.28 4.57 0.08 -0.05 114.58 119.93 2kjg h GLU 30 Ca 0.06 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.01 2kjg h GLU 30 Cb 0.27 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2kjg h GLU 30 CO 0.00 0.40 -0.59 -0.84 -1.18 0.00 0.00 179.01 176.80 2kjg h ILE 31 N 0.62 1.28 -0.15 2.32 3.07 -1.26 -2.95 117.51 120.45 2kjg h ILE 31 Ca 0.18 -1.78 0.04 0.00 1.55 0.00 0.00 64.86 64.85 2kjg h ILE 31 Cb -0.04 1.70 -0.05 0.00 -0.27 0.00 0.00 36.82 38.16 2kjg h ILE 31 CO -0.06 0.58 -0.14 -0.08 -1.05 0.00 0.00 178.15 177.40 2kjg h GLU 32 N 0.63 -0.16 0.00 0.16 4.81 -0.56 0.26 114.58 119.72 2kjg h GLU 32 Ca 0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2kjg h GLU 32 Cb 1.20 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2kjg h GLU 32 CO 0.13 -0.10 -0.37 1.37 -0.73 0.00 0.00 179.01 179.30 2kjg h LEU 33 N -0.16 0.00 0.00 1.64 8.10 -1.08 0.39 115.31 124.20 2kjg h LEU 33 Ca 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.09 2kjg h LEU 33 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2kjg h LEU 33 CO -0.24 0.37 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.67 2kjg h ASP 34 N 0.00 0.01 0.91 0.17 3.58 -1.22 -3.37 116.42 116.49 2kjg h ASP 34 Ca -0.00 -0.80 -0.04 0.00 0.42 0.00 0.00 57.03 56.60 2kjg h ASP 34 Cb 0.71 -0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.76 2kjg h ASP 34 CO 0.05 0.81 -0.44 0.25 -2.88 0.00 0.00 179.24 177.03 2kjg h LEU 35 N -0.79 -1.04 0.00 2.28 5.85 -0.41 -3.46 115.31 117.74 2kjg h LEU 35 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2kjg h LEU 35 Cb 0.81 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kjg h LEU 35 CO 0.00 -0.69 0.00 0.54 -0.34 0.00 0.00 178.44 177.95 2kjg n ARG 36 N -5.59 0.00 -0.50 1.25 5.12 0.12 -0.83 116.66 116.22 2kjg n ARG 36 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2kjg n ARG 36 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 2kjg n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kjg n GLY 37 N 0.00 0.53 3.92 -0.13 0.00 -1.26 -4.99 105.19 103.26 2kjg n GLY 37 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2kjg n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kjg s SER 38 N -0.94 3.71 -0.01 1.61 0.01 -0.02 -5.01 113.70 113.05 2kjg s SER 38 Ca 0.00 0.48 0.15 0.00 1.31 0.00 0.00 55.95 57.89 2kjg s SER 38 Cb 0.00 -0.71 -0.20 0.00 0.21 0.00 0.00 66.02 65.32 2kjg s SER 38 CO -0.00 -2.38 0.51 -0.90 0.41 0.00 0.00 173.24 170.88 2kjg n ASP 39 N -3.57 1.04 -2.60 2.44 5.75 -1.26 -4.64 116.55 113.71 2kjg n ASP 39 Ca 0.12 -0.46 -0.26 0.00 -0.01 0.00 0.00 54.79 54.19 2kjg n ASP 39 Cb 0.60 1.33 -0.08 0.00 -1.03 0.00 0.00 41.12 41.94 2kjg n ASP 39 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2kjg n ASN 40 N -1.68 6.64 -0.03 -1.12 3.02 -1.26 -4.56 115.26 116.27 2kjg n ASN 40 Ca 0.00 -2.85 0.01 0.00 -0.03 0.00 0.00 54.58 51.71 2kjg n ASN 40 Cb 0.32 -1.37 0.32 0.00 -0.61 0.00 0.00 39.78 38.44 2kjg n ASN 40 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2kjg h ILE 41 N 2.24 1.17 0.00 2.41 2.10 -1.97 -0.65 117.51 122.82 2kjg h ILE 41 Ca 0.44 -0.58 -0.01 0.00 1.08 0.00 0.00 64.86 65.80 2kjg h ILE 41 Cb 0.87 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2kjg h ILE 41 CO 0.88 0.22 -0.05 0.07 -1.08 0.00 0.00 178.15 178.19 2kjg h LYS 42 N 0.59 0.00 0.15 2.19 5.09 -1.94 0.79 116.57 123.43 2kjg h LYS 42 Ca 0.14 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.59 2kjg h LYS 42 Cb 0.18 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.53 2kjg h LYS 42 CO -0.01 0.05 -1.28 1.15 -2.09 0.00 0.00 179.45 177.27 2kjg h THR 43 N 0.00 1.38 -0.94 0.07 2.02 -1.51 -2.59 112.91 111.34 2kjg h THR 43 Ca -0.00 -2.75 0.01 0.00 0.77 0.00 0.00 66.41 64.44 2kjg h THR 43 Cb 0.10 2.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.32 2kjg h THR 43 CO 0.01 0.82 0.62 0.28 0.37 0.00 0.00 175.52 177.62 2kjg h SER 44 N 0.16 1.08 -0.24 4.18 0.02 -0.57 -1.71 113.55 116.46 2kjg h SER 44 Ca -0.18 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2kjg h SER 44 Cb 1.97 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 64.20 2kjg h SER 44 CO 0.23 0.78 -0.03 0.40 -1.14 0.00 0.00 176.83 177.06 2kjg h ILE 45 N 1.27 0.79 -0.39 3.27 1.08 -0.85 -2.83 117.51 119.85 2kjg h ILE 45 Ca 0.34 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.88 2kjg h ILE 45 Cb -0.14 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 2kjg h ILE 45 CO -0.08 0.01 -0.01 0.40 -0.69 0.00 0.00 178.15 177.78 2kjg h ILE 46 N 0.03 0.70 0.29 -0.67 2.04 -0.91 0.51 117.51 119.49 2kjg h ILE 46 Ca 0.12 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2kjg h ILE 46 Cb 0.17 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2kjg h ILE 46 CO -0.22 0.02 -0.14 1.88 0.00 0.00 0.00 178.15 179.68 2kjg h TYR 47 N 0.09 -0.36 -0.48 1.37 0.05 -1.27 -0.81 116.97 115.56 2kjg h TYR 47 Ca 0.19 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.93 2kjg h TYR 47 Cb 0.27 0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 2kjg h TYR 47 CO -0.27 -0.22 0.16 0.28 -1.05 0.00 0.00 178.16 177.06 2kjg h VAL 48 N -0.39 1.22 -0.20 -2.88 2.07 -1.26 -0.87 116.25 113.95 2kjg h VAL 48 Ca -0.04 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 2kjg h VAL 48 Cb 0.30 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2kjg h VAL 48 CO 0.06 0.27 -0.38 1.88 0.02 0.00 0.00 177.57 179.43 2kjg h TYR 49 N 0.64 0.50 0.00 1.57 -1.99 -0.82 0.48 116.97 117.35 2kjg h TYR 49 Ca 0.16 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2kjg h TYR 49 Cb 0.25 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 38.87 2kjg h TYR 49 CO 0.01 0.75 -0.12 0.77 -0.00 0.00 0.00 178.16 179.57 2kjg h SER 50 N 0.36 0.00 0.16 3.88 0.02 -0.78 -2.53 113.55 114.67 2kjg h SER 50 Ca 0.04 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.66 2kjg h SER 50 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2kjg h SER 50 CO 0.07 0.12 -1.68 -1.28 -1.14 0.00 0.00 176.83 172.92 2kjg h SER 51 N 0.00 0.53 -1.21 3.07 0.87 -0.66 -3.37 113.55 112.77 2kjg h SER 51 Ca -0.00 -0.92 -0.66 0.00 -1.23 0.00 0.00 61.79 58.99 2kjg h SER 51 Cb 0.89 -0.17 -0.34 0.00 -0.44 0.00 0.00 62.40 62.34 2kjg h SER 51 CO 0.02 1.75 0.32 1.41 -0.53 0.00 0.00 176.83 179.79 2kjg n HIS 52 N -3.68 3.09 -0.32 2.24 8.25 0.12 -4.81 115.22 120.10 2kjg n HIS 52 Ca -0.26 -2.70 0.16 0.00 -0.26 0.00 0.00 57.72 54.67 2kjg n HIS 52 Cb 1.02 -0.97 0.35 0.00 1.12 0.00 0.00 29.99 31.52 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 2.32 0.38 -0.02 2.41 3.38 -1.63 -3.03 115.31 119.13 2kjg h LEU 53 Ca 0.51 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.65 2kjg h LEU 53 Cb 0.83 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kjg h LEU 53 CO 1.27 -0.03 -0.03 -0.78 0.09 0.00 0.00 178.44 178.96 2kjg h ASP 54 N 0.39 -0.10 0.70 -0.43 3.58 -1.87 0.20 116.42 118.89 2kjg h ASP 54 Ca 0.61 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.97 2kjg h ASP 54 Cb 1.23 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2kjg h ASP 54 CO -0.56 -0.05 -0.50 -0.08 -2.88 0.00 0.00 179.24 175.17 2kjg h GLU 55 N -0.05 0.00 -0.35 0.28 4.57 -1.94 -1.13 114.58 115.96 2kjg h GLU 55 Ca 0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2kjg h GLU 55 Cb 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2kjg h GLU 55 CO -0.05 0.50 0.07 0.82 -1.18 0.00 0.00 179.01 179.18 2kjg h ILE 56 N 0.00 1.23 0.00 2.32 1.08 -1.25 -1.41 117.51 119.48 2kjg h ILE 56 Ca -0.01 -0.80 -0.07 0.00 -0.39 0.00 0.00 64.86 63.59 2kjg h ILE 56 Cb 0.99 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 2kjg h ILE 56 CO 0.07 0.27 -0.36 0.08 -0.69 0.00 0.00 178.15 177.52 2kjg h ARG 57 N 0.41 0.00 0.10 2.37 0.11 -0.46 -1.74 114.38 115.17 2kjg h ARG 57 Ca 0.11 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.18 2kjg h ARG 57 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2kjg h ARG 57 CO 0.00 0.36 -0.05 0.87 0.10 0.00 0.00 179.97 181.25 2kjg h LYS 58 N 0.00 -0.13 -2.19 0.08 1.79 -0.76 -3.35 116.57 112.00 2kjg h LYS 58 Ca -0.00 0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2kjg h LYS 58 Cb 0.96 0.03 -0.42 0.00 -1.58 0.00 0.00 32.23 31.22 2kjg h LYS 58 CO 0.05 0.14 -0.70 0.09 -1.08 0.00 0.00 179.45 177.95 2kjg n ASN 59 N -5.03 3.49 0.22 0.86 3.02 -0.57 -4.85 115.26 112.40 2kjg n ASN 59 Ca -0.08 -3.43 0.15 0.00 -0.03 0.00 0.00 54.58 51.18 2kjg n ASN 59 Cb 0.18 -0.62 0.69 0.00 -0.61 0.00 0.00 39.78 39.42 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 3.63 0.00 0.64 3.52 -0.00 -1.46 -1.34 116.57 121.56 2kjg h LYS 60 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.77 2kjg h LYS 60 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.88 2kjg h LYS 60 CO 0.77 0.00 -0.31 0.93 -0.00 0.00 0.00 179.45 180.85 2kjg h GLU 61 N 0.00 -0.83 -0.03 0.07 3.07 -1.88 -2.15 114.58 112.84 2kjg h GLU 61 Ca 0.00 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2kjg h GLU 61 Cb 0.30 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2kjg h GLU 61 CO 0.00 -0.51 0.02 0.35 -1.40 0.00 0.00 179.01 177.47 2kjg h PHE 62 N -1.09 0.04 -0.01 4.33 3.57 -1.80 -1.89 116.94 120.08 2kjg h PHE 62 Ca -0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.33 2kjg h PHE 62 Cb 0.70 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2kjg h PHE 62 CO 0.00 0.03 -0.38 1.88 -2.23 0.00 0.00 178.31 177.61 2kjg h TYR 63 N 0.04 0.03 -0.11 0.41 0.05 -1.37 0.05 116.97 116.07 2kjg h TYR 63 Ca 0.01 -0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.59 2kjg h TYR 63 Cb -0.00 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.74 2kjg h TYR 63 CO -0.08 0.40 -0.71 0.22 -1.05 0.00 0.00 178.16 176.95 2kjg h ASP 64 N 0.02 0.81 -0.06 3.88 3.58 -1.04 -1.86 116.42 121.76 2kjg h ASP 64 Ca -0.00 -0.65 -0.00 0.00 0.42 0.00 0.00 57.03 56.79 2kjg h ASP 64 Cb 0.68 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2kjg h ASP 64 CO 0.05 1.34 0.02 0.24 -2.88 0.00 0.00 179.24 178.01 2kjg h MET 65 N 0.34 0.09 -0.53 0.28 2.86 -1.08 -2.70 114.93 114.19 2kjg h MET 65 Ca -0.06 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 2kjg h MET 65 Cb 1.35 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 2kjg h MET 65 CO 0.14 0.25 -0.04 -0.84 1.06 0.00 0.00 176.91 177.48 2kjg h ILE 66 N -0.08 1.26 -0.99 -1.22 3.07 -1.04 -2.20 117.51 116.30 2kjg h ILE 66 Ca 0.02 -1.15 0.10 0.00 1.55 0.00 0.00 64.86 65.38 2kjg h ILE 66 Cb 0.19 0.90 -0.08 0.00 -0.27 0.00 0.00 36.82 37.56 2kjg h ILE 66 CO -0.00 0.41 0.63 0.00 -1.05 0.00 0.00 178.15 178.14 2kjg h ALA 67 N 1.09 1.50 0.11 0.16 0.00 -1.23 0.46 119.26 121.35 2kjg h ALA 67 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kjg h ALA 67 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kjg h ALA 67 CO 0.03 0.29 -0.05 1.49 0.00 0.00 0.00 179.25 181.01 2kjg h GLU 68 N 1.04 -0.14 -0.56 0.00 4.57 -1.20 -2.91 114.58 115.39 2kjg h GLU 68 Ca 0.47 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.69 2kjg h GLU 68 Cb 0.38 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 2kjg h GLU 68 CO -0.22 0.23 0.31 0.82 -1.18 0.00 0.00 179.01 178.97 2kjg h ILE 69 N -0.53 1.01 -0.52 2.32 2.04 -0.73 -1.93 117.51 119.16 2kjg h ILE 69 Ca -0.01 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2kjg h ILE 69 Cb 0.43 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2kjg h ILE 69 CO 0.02 0.11 0.19 -0.07 0.00 0.00 0.00 178.15 178.41 2kjg h LEU 70 N 0.61 0.21 0.20 1.44 3.38 -0.13 0.13 115.31 121.14 2kjg h LEU 70 Ca 0.24 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2kjg h LEU 70 Cb 0.09 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kjg h LEU 70 CO -0.13 0.14 -0.10 1.56 0.09 0.00 0.00 178.44 180.00 2kjg h GLN 71 N 0.38 -0.26 0.31 1.13 4.20 -1.24 0.46 115.11 120.09 2kjg h GLN 71 Ca 0.25 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2kjg h GLN 71 Cb 0.26 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2kjg h GLN 71 CO -0.25 -0.11 -0.25 -0.09 -0.67 0.00 0.00 178.83 177.46 2kjg h ARG 72 N -0.35 -0.55 0.00 1.46 2.43 -0.88 -2.97 114.38 113.52 2kjg h ARG 72 Ca -0.03 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2kjg h ARG 72 Cb 0.27 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2kjg h ARG 72 CO 0.05 -0.37 -0.22 1.88 -1.51 0.00 0.00 179.97 179.80 2kjg h TYR 73 N -0.57 0.00 -0.70 2.20 -1.99 -0.78 -2.08 116.97 113.04 2kjg h TYR 73 Ca -0.02 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 2kjg h TYR 73 Cb 0.51 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 2kjg h TYR 73 CO -0.14 0.00 0.22 0.10 -0.00 0.00 0.00 178.16 178.34 2kjg h TYR 74 N 0.00 1.10 0.17 4.88 -0.00 -0.74 0.37 116.97 122.76 2kjg h TYR 74 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 58.73 58.32 2kjg h TYR 74 Cb 0.82 -0.32 0.01 0.00 0.00 0.00 0.00 36.73 37.24 2kjg h TYR 74 CO 0.00 0.87 -1.42 -0.22 -0.00 0.00 0.00 178.16 177.40 2kjg h LYS 75 N 1.03 0.36 0.02 0.10 3.64 -1.48 -2.20 116.57 118.04 2kjg h LYS 75 Ca 0.23 -0.62 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2kjg h LYS 75 Cb 0.29 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2kjg h LYS 75 CO -0.01 1.28 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.22 2kjg h LYS 76 N 0.10 -0.03 0.00 1.90 3.11 -1.16 -3.41 116.57 117.07 2kjg h LYS 76 Ca -0.21 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.61 2kjg h LYS 76 Cb 2.06 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 33.29 2kjg h LYS 76 CO 0.22 0.55 -1.09 0.44 -2.81 0.00 0.00 179.45 176.76 2kjg n ILE 77 N -4.82 0.09 0.00 2.00 -5.35 0.12 -5.06 119.36 106.34 2kjg n ILE 77 Ca -0.09 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2kjg n ILE 77 Cb 0.30 -0.96 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 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 2.92 4.19 0.37 3.28 0.00 -0.26 -4.84 105.19 110.84 2kjg n GLY 78 Ca -0.02 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 1.23 -0.50 -0.61 6.09 -1.78 -1.85 117.51 120.09 2kjg h ILE 79 Ca 0.00 -0.41 0.05 0.00 -1.37 0.00 0.00 64.86 63.12 2kjg h ILE 79 Cb 0.00 -0.08 -0.05 0.00 0.47 0.00 0.00 36.82 37.16 2kjg h ILE 79 CO 0.00 0.22 0.24 -0.33 -3.07 0.00 0.00 178.15 175.21 2kjg h GLU 80 N 1.20 0.45 -0.34 2.19 3.07 -1.93 -0.32 114.58 118.91 2kjg h GLU 80 Ca 0.32 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 2kjg h GLU 80 Cb -0.14 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 2kjg h GLU 80 CO -0.07 0.30 0.16 -0.91 -1.40 0.00 0.00 179.01 177.09 2kjg h ASN 81 N 0.47 0.46 -0.18 1.42 2.35 -1.71 -2.61 115.58 115.77 2kjg h ASN 81 Ca 0.22 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2kjg h ASN 81 Cb 0.15 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2kjg h ASN 81 CO -0.17 0.47 0.07 0.58 -1.65 0.00 0.00 177.43 176.73 2kjg h VAL 82 N 0.41 1.16 -0.58 2.81 2.07 -0.75 -0.42 116.25 120.95 2kjg h VAL 82 Ca 0.12 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2kjg h VAL 82 Cb 0.14 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2kjg h VAL 82 CO -0.01 0.16 0.25 0.78 0.02 0.00 0.00 177.57 178.77 2kjg h ASN 83 N 0.13 0.30 -0.37 0.57 2.35 -1.02 0.28 115.58 117.81 2kjg h ASN 83 Ca 0.06 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2kjg h ASN 83 Cb 0.19 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2kjg h ASN 83 CO -0.00 0.19 0.05 -0.61 -1.65 0.00 0.00 177.43 175.41 2kjg h GLN 84 N 0.46 0.62 -0.44 0.81 -0.00 -1.23 -1.87 115.11 113.46 2kjg h GLN 84 Ca 0.28 -0.17 -0.07 0.00 -0.00 0.00 0.00 58.65 58.70 2kjg h GLN 84 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.68 2kjg h GLN 84 CO -0.25 0.69 -0.00 -0.07 0.00 0.00 0.00 178.83 179.19 2kjg h LEU 85 N 0.46 0.68 -0.43 -2.39 3.38 -0.00 0.44 115.31 117.45 2kjg h LEU 85 Ca 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2kjg h LEU 85 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2kjg h LEU 85 CO 0.01 0.75 0.18 0.40 0.09 0.00 0.00 178.44 179.87 2kjg h ILE 86 N 0.67 1.20 -0.78 1.22 1.08 -0.25 -0.64 117.51 120.00 2kjg h ILE 86 Ca 0.13 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 2kjg h ILE 86 Cb 0.42 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2kjg h ILE 86 CO 0.02 0.22 0.45 -0.07 -0.69 0.00 0.00 178.15 178.08 2kjg h LEU 87 N 0.55 0.96 -1.10 1.44 3.38 -0.83 -1.93 115.31 117.78 2kjg h LEU 87 Ca 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kjg h LEU 87 Cb 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2kjg h LEU 87 CO -0.01 0.77 0.56 0.74 0.09 0.00 0.00 178.44 180.58 2kjg h THR 88 N 1.08 1.23 -0.25 0.22 2.02 -0.51 -0.19 112.91 116.50 2kjg h THR 88 Ca 0.28 -0.46 -0.19 0.00 0.77 0.00 0.00 66.41 66.81 2kjg h THR 88 Cb 0.00 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2kjg h THR 88 CO -0.05 0.23 -0.60 0.74 0.37 0.00 0.00 175.52 176.21 2kjg h THR 89 N 1.19 1.28 0.00 3.16 2.02 -0.39 -2.77 112.91 117.40 2kjg h THR 89 Ca 0.32 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 2kjg h THR 89 Cb -0.10 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2kjg h THR 89 CO -0.06 0.58 -0.47 0.16 0.37 0.00 0.00 175.52 176.09 2kjg h ILE 90 N 0.62 0.15 -0.11 3.11 3.07 -1.23 -3.30 117.51 119.82 2kjg h ILE 90 Ca -0.00 -1.23 -0.02 0.00 1.55 0.00 0.00 64.86 65.16 2kjg h ILE 90 Cb 1.21 1.90 -0.00 0.00 -0.27 0.00 0.00 36.82 39.66 2kjg h ILE 90 CO 0.13 0.08 0.00 0.50 -1.05 0.00 0.00 178.15 177.82 2kjg h LYS 91 N 0.00 0.18 -6.19 0.16 1.63 -0.94 -3.40 116.57 108.02 2kjg h LYS 91 Ca -0.01 -0.06 -0.43 0.00 -0.85 0.00 0.00 60.65 59.30 2kjg h LYS 91 Cb 1.09 -0.02 0.05 0.00 -0.60 0.00 0.00 32.23 32.76 2kjg h LYS 91 CO 0.01 0.43 -0.89 -0.11 -3.45 0.00 0.00 179.45 175.44 2kjg n LEU 92 N -4.82 -2.99 -4.38 5.20 -0.00 -1.05 -4.90 117.00 104.05 2kjg n LEU 92 Ca -0.06 -0.93 -0.35 0.00 -0.00 0.00 0.00 56.01 54.67 2kjg n LEU 92 Cb 0.19 -2.50 -0.13 0.00 -0.00 0.00 0.00 43.42 40.98 2kjg n LEU 92 CO 0.35 0.42 -0.37 -0.70 -0.00 0.00 0.00 177.39 177.09 2kjg s GLU 93 N -5.99 3.49 -0.01 1.96 2.12 -1.26 -4.92 118.70 114.09 2kjg s GLU 93 Ca 0.22 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 55.05 2kjg s GLU 93 Cb -0.07 -2.98 -0.12 0.00 0.26 0.00 0.00 34.13 31.21 2kjg s GLU 93 CO 0.84 -0.03 0.20 1.58 -0.54 0.00 0.00 175.26 177.31 2kjg n HIS 94 N 4.34 0.00 0.00 5.30 -0.00 -1.26 -4.89 115.22 118.71 2kjg n HIS 94 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2kjg n HIS 94 Cb 0.52 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 2kjg n HIS 94 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kjg n HIS 95 N -1.71 0.00 -3.63 1.57 -0.00 -1.26 -5.12 115.22 105.07 2kjg n HIS 95 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.68 2kjg n HIS 95 Cb 0.20 0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 2kjg n HIS 95 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kjg s HIS 96 N -0.49 -0.69 -1.19 1.57 0.09 -1.26 -5.09 115.29 108.23 2kjg s HIS 96 Ca 0.00 1.35 -0.10 0.00 -0.00 0.00 0.00 55.06 56.31 2kjg s HIS 96 Cb 0.00 0.41 0.22 0.00 -0.00 0.00 0.00 32.58 33.21 2kjg s HIS 96 CO 0.00 -0.34 1.48 1.58 -0.00 0.00 0.00 174.74 177.46 2kjg n HIS 97 N 3.93 4.16 0.00 1.40 -0.00 -1.26 -4.64 115.22 118.81 2kjg n HIS 97 Ca -0.18 -3.24 0.00 0.00 -0.00 0.00 0.00 57.72 54.30 2kjg n HIS 97 Cb 0.57 -1.88 0.00 0.00 -0.00 0.00 0.00 29.99 28.68 2kjg n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kjg n HIS 98 N 3.88 0.00 -0.81 1.57 -0.00 -1.26 -5.14 115.22 113.46 2kjg n HIS 98 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 2kjg n HIS 98 Cb 0.39 -0.34 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 2kjg n HIS 98 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06