#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 0.58 -0.64 7.83 7.64 -1.26 -4.23 113.62 123.54 2kjg n SER 2 Ca 0.00 -0.40 0.03 0.00 1.01 0.00 0.00 58.87 59.51 2kjg n SER 2 Cb 0.00 1.16 0.12 0.00 -1.01 0.00 0.00 64.21 64.48 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 -1.89 0.54 1.26 0.44 3.06 -1.26 -3.77 119.36 117.74 2kjg n ILE 3 Ca 0.01 -0.37 0.12 0.00 -2.50 0.00 0.00 62.75 60.01 2kjg n ILE 3 Cb 0.44 -0.07 0.64 0.00 0.54 0.00 0.00 39.64 41.19 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 0.20 0.00 0.00 9.51 4.77 -1.26 -2.33 117.00 127.89 2kjg n LEU 4 Ca 0.08 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 2kjg n LEU 4 Cb 0.34 -0.20 0.52 0.00 -2.33 0.00 0.00 43.42 41.74 2kjg n LEU 4 CO 0.07 -0.04 0.85 -0.62 -1.33 0.00 0.00 177.39 176.33 2kjg n GLU 5 N -1.20 0.17 -3.33 3.23 1.02 -1.25 -4.65 120.64 114.62 2kjg n GLU 5 Ca 0.13 0.10 -0.39 0.00 -0.02 0.00 0.00 57.16 56.98 2kjg n GLU 5 Cb 0.16 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.78 6.32 0.44 1.62 -1.08 -0.98 -4.96 116.67 115.26 2kjg s ASP 6 Ca 0.16 0.38 0.13 0.00 -0.52 0.00 0.00 52.55 52.70 2kjg s ASP 6 Cb 0.15 -2.24 0.99 0.00 -1.46 0.00 0.00 42.92 40.36 2kjg s ASP 6 CO 0.37 -0.22 2.00 -0.65 0.52 0.00 0.00 175.17 177.19 2kjg h PRO 7 N 8.09 0.07 0.03 4.34 0.11 -1.90 -1.86 132.00 140.88 2kjg h PRO 7 Ca -0.31 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.56 2kjg h PRO 7 Cb 1.15 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.27 2kjg h PRO 7 CO 0.67 0.20 -0.91 0.93 -0.21 0.00 0.00 178.00 178.69 2kjg h GLU 8 N 0.07 0.57 -0.47 1.05 4.39 -1.95 -2.87 114.58 115.37 2kjg h GLU 8 Ca 0.01 -0.65 0.04 0.00 0.34 0.00 0.00 59.36 59.11 2kjg h GLU 8 Cb 0.27 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2kjg h GLU 8 CO 0.02 1.25 0.23 0.35 -1.16 0.00 0.00 179.01 179.70 2kjg h PHE 9 N 0.16 0.41 -0.33 4.33 3.04 -1.83 -0.67 116.94 122.06 2kjg h PHE 9 Ca -0.12 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.79 2kjg h PHE 9 Cb 1.59 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.97 2kjg h PHE 9 CO 0.13 0.20 -0.03 -0.24 -2.02 0.00 0.00 178.31 176.34 2kjg h VAL 10 N 0.45 1.21 -0.45 1.41 3.04 -1.39 -1.59 116.25 118.93 2kjg h VAL 10 Ca 0.21 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 2kjg h VAL 10 Cb 0.12 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2kjg h VAL 10 CO -0.15 0.29 0.21 0.11 -1.01 0.00 0.00 177.57 177.01 2kjg h LYS 11 N 0.50 0.66 -0.81 4.17 1.57 -1.09 -2.85 116.57 118.72 2kjg h LYS 11 Ca 0.10 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2kjg h LYS 11 Cb 0.38 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 2kjg h LYS 11 CO 0.02 0.57 0.52 -0.07 -0.57 0.00 0.00 179.45 179.91 2kjg h LEU 12 N 0.58 0.85 -1.29 2.94 3.38 -0.48 0.22 115.31 121.52 2kjg h LEU 12 Ca 0.15 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2kjg h LEU 12 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2kjg h LEU 12 CO -0.02 0.58 0.49 0.03 0.09 0.00 0.00 178.44 179.61 2kjg h ARG 13 N 1.00 0.94 0.22 1.13 2.47 -1.14 0.19 114.38 119.19 2kjg h ARG 13 Ca 0.33 -0.06 -0.31 0.00 -1.26 0.00 0.00 59.98 58.68 2kjg h ARG 13 Cb 0.03 -0.21 0.04 0.00 -1.65 0.00 0.00 29.97 28.18 2kjg h ARG 13 CO -0.12 0.62 -1.36 1.96 0.56 0.00 0.00 179.97 181.63 2kjg h GLN 14 N 0.97 0.53 0.14 0.04 4.20 -1.12 -3.38 115.11 116.48 2kjg h GLN 14 Ca 0.28 -0.87 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 2kjg h GLN 14 Cb -0.07 0.32 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kjg h GLN 14 CO -0.07 1.41 -0.07 0.35 -0.67 0.00 0.00 178.83 179.79 2kjg h PHE 15 N 0.10 -0.17 -3.10 2.96 3.57 -0.29 -3.51 116.94 116.49 2kjg h PHE 15 Ca -0.23 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2kjg h PHE 15 Cb 2.07 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.87 2kjg h PHE 15 CO 0.14 0.28 -0.66 1.17 -2.23 0.00 0.00 178.31 177.00 2kjg n LYS 16 N -4.89 -3.76 0.00 1.11 4.81 0.64 -4.79 118.16 111.28 2kjg n LYS 16 Ca -0.07 2.77 0.02 0.00 -0.87 0.00 0.00 58.31 60.16 2kjg n LYS 16 Cb 0.26 -2.92 0.09 0.00 0.02 0.00 0.00 35.03 32.49 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 0.82 -0.60 2.98 3.14 0.00 -1.26 -4.80 105.19 105.46 2kjg n GLY 17 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.46 -1.06 -3.86 1.61 5.02 -1.26 -4.91 118.16 112.24 2kjg n LYS 18 Ca 0.01 0.26 -0.22 0.00 -2.02 0.00 0.00 58.31 56.34 2kjg n LYS 18 Cb 0.05 -4.31 -0.05 0.00 -0.02 0.00 0.00 35.03 30.70 2kjg n LYS 18 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2kjg s VAL 19 N -1.43 2.64 0.20 -0.18 -7.23 -1.26 -5.08 120.40 108.06 2kjg s VAL 19 Ca 0.00 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 2kjg s VAL 19 Cb 0.00 -3.01 -0.09 0.00 0.56 0.00 0.00 36.38 33.84 2kjg s VAL 19 CO 0.00 -0.04 1.38 0.21 -0.31 0.00 0.00 175.10 176.34 2kjg s ASN 20 N -4.00 6.79 0.27 4.85 3.84 -1.26 -4.91 114.94 120.52 2kjg s ASN 20 Ca 0.44 2.48 -0.02 0.00 0.21 0.00 0.00 52.86 55.98 2kjg s ASN 20 Cb -0.01 -2.61 0.44 0.00 -0.55 0.00 0.00 41.25 38.52 2kjg s ASN 20 CO 0.25 -0.62 1.88 0.15 -2.79 0.00 0.00 177.10 175.97 2kjg h PHE 21 N 5.61 1.18 0.00 0.43 3.57 -1.98 -1.60 116.94 124.15 2kjg h PHE 21 Ca -0.44 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.97 2kjg h PHE 21 Cb 1.21 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2kjg h PHE 21 CO 0.62 0.60 -0.56 -0.91 -2.23 0.00 0.00 178.31 175.84 2kjg h ASN 22 N 1.15 0.00 -0.17 0.41 2.35 -1.98 -0.66 115.58 116.68 2kjg h ASN 22 Ca 0.43 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.10 2kjg h ASN 22 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2kjg h ASN 22 CO -0.17 0.56 -0.21 0.25 -1.65 0.00 0.00 177.43 176.20 2kjg h LEU 23 N 0.00 0.48 -0.82 1.61 5.85 -1.71 0.16 115.31 120.88 2kjg h LEU 23 Ca -0.01 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2kjg h LEU 23 Cb 1.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2kjg h LEU 23 CO 0.07 0.88 0.43 0.58 -0.34 0.00 0.00 178.44 180.06 2kjg h VAL 24 N 0.08 1.25 -0.87 1.05 2.07 -1.04 0.21 116.25 118.99 2kjg h VAL 24 Ca 0.02 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2kjg h VAL 24 Cb 0.76 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2kjg h VAL 24 CO 0.05 0.28 0.55 -0.03 0.02 0.00 0.00 177.57 178.44 2kjg h MET 25 N 1.14 0.97 -0.40 1.57 1.85 -0.96 0.27 114.93 119.37 2kjg h MET 25 Ca 0.29 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 59.24 2kjg h MET 25 Cb 0.06 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 31.86 2kjg h MET 25 CO -0.04 0.64 -0.05 0.37 -0.40 0.00 0.00 176.91 177.43 2kjg h GLN 26 N 1.00 0.74 -0.15 0.39 4.15 0.29 0.10 115.11 121.63 2kjg h GLN 26 Ca 0.38 -0.26 0.03 0.00 0.77 0.00 0.00 58.65 59.57 2kjg h GLN 26 Cb 0.15 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2kjg h GLN 26 CO -0.17 0.85 -0.04 0.82 -1.93 0.00 0.00 178.83 178.36 2kjg h ILE 27 N 0.56 0.85 -0.62 2.39 1.08 0.12 0.41 117.51 122.29 2kjg h ILE 27 Ca 0.11 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.54 2kjg h ILE 27 Cb 0.55 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2kjg h ILE 27 CO 0.03 0.00 0.23 -0.07 -0.69 0.00 0.00 178.15 177.65 2kjg h LEU 28 N -0.00 0.88 -0.31 1.44 3.38 -0.89 -1.03 115.31 118.78 2kjg h LEU 28 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2kjg h LEU 28 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2kjg h LEU 28 CO -0.16 0.83 0.13 -0.78 0.09 0.00 0.00 178.44 178.55 2kjg h ASP 29 N 0.88 0.42 -0.17 -0.43 3.58 -0.31 -0.79 116.42 119.59 2kjg h ASP 29 Ca 0.20 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2kjg h ASP 29 Cb 0.24 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2kjg h ASP 29 CO -0.01 0.46 0.06 -0.08 -2.88 0.00 0.00 179.24 176.79 2kjg h GLU 30 N 0.36 0.26 -0.56 0.28 4.81 0.04 0.13 114.58 119.89 2kjg h GLU 30 Ca 0.10 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2kjg h GLU 30 Cb 0.16 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2kjg h GLU 30 CO -0.01 0.36 -0.05 -0.84 -0.73 0.00 0.00 179.01 177.74 2kjg h ILE 31 N 0.11 1.27 -0.36 2.32 3.07 -1.15 -3.04 117.51 119.73 2kjg h ILE 31 Ca 0.06 -1.20 0.00 0.00 1.55 0.00 0.00 64.86 65.27 2kjg h ILE 31 Cb 0.20 0.90 -0.02 0.00 -0.27 0.00 0.00 36.82 37.64 2kjg h ILE 31 CO -0.00 0.43 0.24 -0.08 -1.05 0.00 0.00 178.15 177.68 2kjg h GLU 32 N 0.91 0.47 -0.74 0.16 4.81 -0.86 0.11 114.58 119.45 2kjg h GLU 32 Ca 0.15 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2kjg h GLU 32 Cb 0.61 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2kjg h GLU 32 CO 0.04 0.31 0.48 1.37 -0.73 0.00 0.00 179.01 180.49 2kjg h LEU 33 N 0.48 0.85 0.02 1.64 8.10 -0.67 0.25 115.31 125.98 2kjg h LEU 33 Ca 0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 57.88 58.10 2kjg h LEU 33 Cb -0.05 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 39.95 2kjg h LEU 33 CO -0.03 0.62 -0.01 -0.78 -4.11 0.00 0.00 178.44 174.13 2kjg h ASP 34 N 1.00 -0.02 -0.37 0.17 3.58 -1.38 -3.35 116.42 116.04 2kjg h ASP 34 Ca 0.27 -0.71 0.06 0.00 0.42 0.00 0.00 57.03 57.07 2kjg h ASP 34 Cb -0.11 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2kjg h ASP 34 CO -0.06 0.74 0.25 0.25 -2.88 0.00 0.00 179.24 177.55 2kjg h LEU 35 N -0.83 0.21 -0.20 2.28 5.85 -0.46 0.24 115.31 122.39 2kjg h LEU 35 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kjg h LEU 35 Cb 0.74 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2kjg h LEU 35 CO 0.00 0.14 0.00 -1.14 -0.34 0.00 0.00 178.44 177.10 2kjg n ARG 36 N -4.47 0.12 -0.07 1.25 0.63 0.05 -3.02 116.66 111.15 2kjg n ARG 36 Ca 0.05 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.13 2kjg n ARG 36 Cb 0.27 -1.68 -0.09 0.00 0.45 0.00 0.00 32.46 31.40 2kjg n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kjg n GLY 37 N 0.65 -0.50 0.00 5.14 0.00 0.56 -5.02 105.19 106.02 2kjg n GLY 37 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kjg n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kjg n SER 38 N -2.67 0.00 0.00 1.61 3.41 0.45 -5.09 113.62 111.32 2kjg n SER 38 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2kjg n SER 38 Cb 0.89 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2kjg n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kjg n ASP 39 N 0.00 0.00 -4.54 4.04 2.03 -1.26 -4.85 116.55 111.97 2kjg n ASP 39 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2kjg n ASP 39 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.81 6.34 0.50 1.67 0.01 -1.26 -4.83 114.94 114.55 2kjg s ASN 40 Ca 0.00 -1.04 0.16 0.00 -0.71 0.00 0.00 52.86 51.27 2kjg s ASN 40 Cb 0.00 -2.54 1.21 0.00 0.41 0.00 0.00 41.25 40.33 2kjg s ASN 40 CO 0.00 -1.60 2.10 -0.29 -1.51 0.00 0.00 177.10 175.80 2kjg h ILE 41 N 6.32 0.97 -0.35 0.60 2.10 -1.95 -1.25 117.51 123.94 2kjg h ILE 41 Ca -0.05 -0.04 -0.04 0.00 1.08 0.00 0.00 64.86 65.81 2kjg h ILE 41 Cb 1.03 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 37.58 2kjg h ILE 41 CO 1.32 0.02 0.04 0.07 -1.08 0.00 0.00 178.15 178.51 2kjg h LYS 42 N 0.12 0.53 0.01 2.19 2.10 -1.97 0.30 116.57 119.85 2kjg h LYS 42 Ca 0.09 -0.10 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 2kjg h LYS 42 Cb 0.20 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 2kjg h LYS 42 CO -0.01 0.53 -0.92 1.15 -2.00 0.00 0.00 179.45 178.19 2kjg h THR 43 N 0.52 1.50 -0.76 0.07 2.02 -1.65 -2.20 112.91 112.41 2kjg h THR 43 Ca 0.12 -2.69 -0.05 0.00 0.77 0.00 0.00 66.41 64.55 2kjg h THR 43 Cb 0.28 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 2kjg h THR 43 CO 0.00 0.79 0.28 0.28 0.37 0.00 0.00 175.52 177.24 2kjg h SER 44 N 0.11 1.07 -0.38 4.18 0.02 -0.81 -2.14 113.55 115.59 2kjg h SER 44 Ca -0.05 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.77 2kjg h SER 44 Cb 1.57 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2kjg h SER 44 CO 0.14 0.96 0.05 0.40 -1.14 0.00 0.00 176.83 177.25 2kjg h ILE 45 N 1.11 0.78 -0.40 3.27 1.08 -0.30 -2.80 117.51 120.24 2kjg h ILE 45 Ca 0.25 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 64.73 2kjg h ILE 45 Cb 0.25 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 34.53 2kjg h ILE 45 CO -0.02 0.03 0.02 0.40 -0.69 0.00 0.00 178.15 177.89 2kjg h ILE 46 N 0.17 0.72 0.23 -0.67 2.04 -0.76 0.22 117.51 119.46 2kjg h ILE 46 Ca 0.18 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 2kjg h ILE 46 Cb 0.23 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2kjg h ILE 46 CO -0.26 0.02 -0.16 1.88 0.00 0.00 0.00 178.15 179.63 2kjg h TYR 47 N 0.12 -0.41 -0.02 1.37 0.05 -1.21 0.05 116.97 116.92 2kjg h TYR 47 Ca 0.20 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 2kjg h TYR 47 Cb 0.27 0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 2kjg h TYR 47 CO -0.25 -0.25 0.01 0.28 -1.05 0.00 0.00 178.16 176.90 2kjg h VAL 48 N -0.39 1.10 -0.26 -2.88 2.07 -1.24 -1.46 116.25 113.19 2kjg h VAL 48 Ca -0.02 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2kjg h VAL 48 Cb 0.33 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2kjg h VAL 48 CO 0.01 0.08 -0.14 1.88 0.02 0.00 0.00 177.57 179.42 2kjg h TYR 49 N -0.10 0.47 0.00 1.57 -1.99 -0.49 -0.81 116.97 115.63 2kjg h TYR 49 Ca 0.01 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 2kjg h TYR 49 Cb 0.12 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 2kjg h TYR 49 CO -0.04 0.57 -0.15 0.77 -0.00 0.00 0.00 178.16 179.32 2kjg h SER 50 N 0.41 0.00 0.28 3.88 0.02 -0.73 -1.39 113.55 116.03 2kjg h SER 50 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2kjg h SER 50 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2kjg h SER 50 CO 0.03 0.15 -0.60 -0.24 -1.14 0.00 0.00 176.83 175.03 2kjg n SER 51 N -3.20 0.84 -1.02 3.07 2.88 -0.57 -3.99 113.62 111.62 2kjg n SER 51 Ca 0.02 -0.65 0.03 0.00 -1.33 0.00 0.00 58.87 56.94 2kjg n SER 51 Cb 0.49 0.45 0.14 0.00 -0.75 0.00 0.00 64.21 64.54 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 -1.25 0.22 -0.06 0.66 -0.00 -0.39 -4.95 115.22 109.45 2kjg n HIS 52 Ca 0.06 -1.27 -0.11 0.00 -0.00 0.00 0.00 57.72 56.40 2kjg n HIS 52 Cb 0.35 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.99 30.06 2kjg n HIS 52 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2kjg h LEU 53 N 1.13 -1.31 -0.51 2.41 3.38 -1.39 0.98 115.31 119.99 2kjg h LEU 53 Ca -0.05 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2kjg h LEU 53 Cb 1.31 0.56 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 2kjg h LEU 53 CO 0.08 -0.39 0.25 -0.78 0.09 0.00 0.00 178.44 177.70 2kjg h ASP 54 N -0.40 0.67 -0.22 -0.43 3.58 -1.92 0.25 116.42 117.94 2kjg h ASP 54 Ca 0.11 -0.12 0.05 0.00 0.42 0.00 0.00 57.03 57.49 2kjg h ASP 54 Cb 0.59 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 2kjg h ASP 54 CO -0.47 0.60 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.28 2kjg h GLU 55 N 0.68 -0.11 -0.61 0.28 4.81 -1.82 0.22 114.58 118.03 2kjg h GLU 55 Ca 0.18 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2kjg h GLU 55 Cb 0.11 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2kjg h GLU 55 CO -0.02 -0.07 0.37 0.82 -0.73 0.00 0.00 179.01 179.37 2kjg h ILE 56 N -0.12 1.07 -0.25 2.32 1.08 -0.17 -2.11 117.51 119.33 2kjg h ILE 56 Ca 0.12 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 2kjg h ILE 56 Cb 0.30 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2kjg h ILE 56 CO -0.30 0.13 -0.12 0.03 -0.69 0.00 0.00 178.15 177.21 2kjg h ARG 57 N 0.73 0.41 -0.37 2.37 3.08 0.31 -1.53 114.38 119.39 2kjg h ARG 57 Ca 0.25 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.23 2kjg h ARG 57 Cb 0.03 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2kjg h ARG 57 CO -0.11 0.54 0.13 0.87 -1.07 0.00 0.00 179.97 180.33 2kjg h LYS 58 N 0.39 0.28 -2.15 0.04 1.57 0.08 -3.26 116.57 113.52 2kjg h LYS 58 Ca 0.07 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.27 2kjg h LYS 58 Cb 0.45 -0.06 -0.41 0.00 0.08 0.00 0.00 32.23 32.28 2kjg h LYS 58 CO 0.03 0.18 -0.82 0.09 -0.57 0.00 0.00 179.45 178.36 2kjg n ASN 59 N -5.01 2.71 0.05 0.86 3.02 -1.08 -4.90 115.26 110.91 2kjg n ASN 59 Ca 0.01 -3.28 -0.01 0.00 -0.03 0.00 0.00 54.58 51.27 2kjg n ASN 59 Cb 0.13 -0.62 0.27 0.00 -0.61 0.00 0.00 39.78 38.95 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 3.59 0.40 -0.20 3.52 2.10 -1.33 -1.57 116.57 123.09 2kjg h LYS 60 Ca 0.14 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2kjg h LYS 60 Cb 0.71 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 2kjg h LYS 60 CO 0.70 0.58 0.04 0.93 -2.00 0.00 0.00 179.45 179.69 2kjg h GLU 61 N 0.37 0.33 0.19 0.07 4.39 -1.90 0.38 114.58 118.40 2kjg h GLU 61 Ca 0.06 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2kjg h GLU 61 Cb 0.54 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kjg h GLU 61 CO 0.04 0.48 -0.09 0.35 -1.16 0.00 0.00 179.01 178.62 2kjg h PHE 62 N 0.13 -0.24 -0.03 4.33 3.57 -1.87 -0.72 116.94 122.11 2kjg h PHE 62 Ca 0.06 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2kjg h PHE 62 Cb 0.30 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2kjg h PHE 62 CO 0.02 -0.05 -0.33 1.88 -2.23 0.00 0.00 178.31 177.60 2kjg h TYR 63 N -0.38 0.06 0.17 0.41 0.05 -1.25 -0.98 116.97 115.05 2kjg h TYR 63 Ca -0.03 -0.01 -0.31 0.00 0.05 0.00 0.00 58.73 58.43 2kjg h TYR 63 Cb 0.30 -0.02 0.03 0.00 1.01 0.00 0.00 36.73 38.05 2kjg h TYR 63 CO -0.03 0.38 -1.32 0.22 -1.05 0.00 0.00 178.16 176.36 2kjg h ASP 64 N 0.05 0.87 -0.53 3.88 3.58 -0.84 -2.62 116.42 120.81 2kjg h ASP 64 Ca 0.01 -0.86 -0.04 0.00 0.42 0.00 0.00 57.03 56.56 2kjg h ASP 64 Cb 0.61 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2kjg h ASP 64 CO 0.04 1.65 0.19 0.24 -2.88 0.00 0.00 179.24 178.48 2kjg h MET 65 N 0.22 0.81 -0.61 0.28 2.86 -0.89 -2.57 114.93 115.04 2kjg h MET 65 Ca -0.21 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.20 2kjg h MET 65 Cb 2.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.51 2kjg h MET 65 CO 0.25 0.73 0.11 -0.84 1.06 0.00 0.00 176.91 178.22 2kjg h ILE 66 N 0.73 1.25 -0.55 -1.22 3.07 -1.26 -2.46 117.51 117.07 2kjg h ILE 66 Ca 0.17 -0.96 0.07 0.00 1.55 0.00 0.00 64.86 65.69 2kjg h ILE 66 Cb 0.24 0.67 -0.03 0.00 -0.27 0.00 0.00 36.82 37.43 2kjg h ILE 66 CO -0.01 0.36 0.37 0.00 -1.05 0.00 0.00 178.15 177.82 2kjg h ALA 67 N 1.18 1.90 0.25 0.16 0.00 -1.11 0.45 119.26 122.09 2kjg h ALA 67 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2kjg h ALA 67 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kjg h ALA 67 CO 0.01 0.01 -0.12 1.49 0.00 0.00 0.00 179.25 180.63 2kjg h GLU 68 N 0.48 -0.32 -0.60 0.00 4.57 -1.08 -3.08 114.58 114.55 2kjg h GLU 68 Ca 0.24 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 2kjg h GLU 68 Cb 0.34 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 2kjg h GLU 68 CO -0.07 0.04 0.39 0.82 -1.18 0.00 0.00 179.01 179.01 2kjg h ILE 69 N -0.79 1.15 -0.22 2.32 2.04 -0.89 -2.16 117.51 118.97 2kjg h ILE 69 Ca -0.03 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2kjg h ILE 69 Cb 0.51 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2kjg h ILE 69 CO 0.06 0.15 -0.16 -0.07 0.00 0.00 0.00 178.15 178.12 2kjg h LEU 70 N 0.81 -0.52 -0.43 1.44 3.38 -0.21 0.14 115.31 119.92 2kjg h LEU 70 Ca 0.22 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 2kjg h LEU 70 Cb -0.09 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2kjg h LEU 70 CO -0.05 -0.20 0.06 1.56 0.09 0.00 0.00 178.44 179.89 2kjg h GLN 71 N -0.16 0.73 -0.10 1.13 4.20 -1.41 0.87 115.11 120.36 2kjg h GLN 71 Ca 0.13 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2kjg h GLN 71 Cb 0.35 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2kjg h GLN 71 CO -0.31 0.77 0.06 -0.09 -0.67 0.00 0.00 178.83 178.59 2kjg h ARG 72 N 0.58 0.13 0.00 1.46 2.43 -0.91 -3.10 114.38 114.97 2kjg h ARG 72 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2kjg h ARG 72 Cb 0.40 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2kjg h ARG 72 CO 0.01 0.10 -0.88 0.66 -1.51 0.00 0.00 179.97 178.35 2kjg n TYR 73 N -5.01 0.42 0.11 2.20 4.01 0.46 -3.79 117.16 115.55 2kjg n TYR 73 Ca -0.05 0.12 0.01 0.00 -0.16 0.00 0.00 57.90 57.82 2kjg n TYR 73 Cb 0.03 -0.56 0.32 0.00 -0.31 0.00 0.00 39.34 38.83 2kjg n TYR 73 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2kjg h TYR 74 N 0.00 0.27 0.00 -0.72 -0.00 -0.75 0.23 116.97 115.99 2kjg h TYR 74 Ca 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.73 58.63 2kjg h TYR 74 Cb 0.76 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.73 37.41 2kjg h TYR 74 CO 0.00 0.47 -0.27 0.87 -0.00 0.00 0.00 178.16 179.22 2kjg h LYS 75 N 0.22 0.00 0.00 0.10 1.79 -1.64 -3.10 116.57 113.94 2kjg h LYS 75 Ca 0.04 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.16 2kjg h LYS 75 Cb 0.54 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 2kjg h LYS 75 CO 0.04 0.27 -2.05 1.63 -1.08 0.00 0.00 179.45 178.26 2kjg n LYS 76 N -3.38 0.57 -0.04 3.15 5.02 -0.57 -4.79 118.16 118.12 2kjg n LYS 76 Ca 0.00 0.31 -0.04 0.00 -2.02 0.00 0.00 58.31 56.57 2kjg n LYS 76 Cb 0.48 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 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 -4.32 0.61 0.00 -0.18 -5.35 0.70 -5.11 119.36 105.71 2kjg n ILE 77 Ca -0.44 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 2kjg n ILE 77 Cb 0.78 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 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 2.40 3.64 0.29 3.28 0.00 -1.06 -4.76 105.19 108.98 2kjg n GLY 78 Ca -0.15 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.60 1.21 -0.55 -0.61 6.09 -1.84 -2.24 117.51 120.16 2kjg h ILE 79 Ca 0.00 -0.79 0.01 0.00 -1.37 0.00 0.00 64.86 62.71 2kjg h ILE 79 Cb 0.00 0.81 -0.03 0.00 0.47 0.00 0.00 36.82 38.08 2kjg h ILE 79 CO 0.00 0.28 0.37 -0.33 -3.07 0.00 0.00 178.15 175.40 2kjg h GLU 80 N 0.64 0.73 -0.31 2.19 3.07 -1.96 0.30 114.58 119.23 2kjg h GLU 80 Ca 0.14 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 2kjg h GLU 80 Cb 0.31 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2kjg h GLU 80 CO 0.00 0.48 0.08 -0.91 -1.40 0.00 0.00 179.01 177.27 2kjg h ASN 81 N 0.75 0.47 -0.41 1.42 4.21 -1.78 -2.26 115.58 117.98 2kjg h ASN 81 Ca 0.20 -0.23 -0.10 0.00 1.21 0.00 0.00 56.30 57.39 2kjg h ASN 81 Cb -0.09 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 36.97 2kjg h ASN 81 CO -0.04 0.57 -0.11 0.58 -1.29 0.00 0.00 177.43 177.14 2kjg h VAL 82 N 0.34 1.26 -0.34 2.81 2.07 -0.89 -1.13 116.25 120.38 2kjg h VAL 82 Ca 0.10 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.48 2kjg h VAL 82 Cb 0.28 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2kjg h VAL 82 CO 0.00 0.42 -0.10 -1.13 0.02 0.00 0.00 177.57 176.78 2kjg h ASN 83 N 0.78 -0.35 -0.33 0.57 -0.73 -0.27 0.24 115.58 115.49 2kjg h ASN 83 Ca 0.13 0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.34 2kjg h ASN 83 Cb 0.62 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 2kjg h ASN 83 CO 0.04 -0.13 -0.04 -0.61 -0.37 0.00 0.00 177.43 176.32 2kjg h GLN 84 N -0.02 0.61 -0.52 6.67 -0.00 -1.14 -2.49 115.11 118.23 2kjg h GLN 84 Ca 0.17 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 2kjg h GLN 84 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.68 2kjg h GLN 84 CO -0.36 0.76 0.29 -0.07 0.00 0.00 0.00 178.83 179.45 2kjg h LEU 85 N 0.40 0.64 -1.01 -2.39 3.38 -0.47 -0.71 115.31 115.15 2kjg h LEU 85 Ca 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2kjg h LEU 85 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2kjg h LEU 85 CO 0.03 0.54 0.24 0.40 0.09 0.00 0.00 178.44 179.73 2kjg h ILE 86 N 0.69 1.23 -0.44 1.22 1.08 -0.48 0.17 117.51 120.99 2kjg h ILE 86 Ca 0.18 -0.74 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 2kjg h ILE 86 Cb 0.03 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 2kjg h ILE 86 CO -0.03 0.29 0.21 -0.07 -0.69 0.00 0.00 178.15 177.86 2kjg h LEU 87 N 0.93 0.57 -1.29 1.44 3.38 -0.97 -1.92 115.31 117.45 2kjg h LEU 87 Ca 0.22 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2kjg h LEU 87 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kjg h LEU 87 CO -0.02 0.53 -0.08 0.74 0.09 0.00 0.00 178.44 179.71 2kjg h THR 88 N 0.56 1.19 -0.47 0.22 2.02 -0.44 -2.75 112.91 113.25 2kjg h THR 88 Ca 0.15 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2kjg h THR 88 Cb 0.11 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2kjg h THR 88 CO -0.02 0.26 0.28 0.74 0.37 0.00 0.00 175.52 177.15 2kjg h THR 89 N 0.37 1.04 -0.00 3.16 2.02 0.11 -2.04 112.91 117.57 2kjg h THR 89 Ca 0.08 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kjg h THR 89 Cb 0.37 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2kjg h THR 89 CO 0.02 0.10 -0.11 2.30 0.37 0.00 0.00 175.52 178.20 2kjg n ILE 90 N -4.83 0.00 -2.78 3.11 -5.35 -1.01 -4.52 119.36 103.98 2kjg n ILE 90 Ca 0.03 -0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.08 2kjg n ILE 90 Cb 0.07 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 37.61 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 3.21 0.05 6.28 -0.14 -0.77 -4.81 119.74 120.62 2kjg s LYS 91 Ca 0.15 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 54.11 2kjg s LYS 91 Cb 0.19 -4.15 -0.24 0.00 -1.68 0.00 0.00 37.83 31.94 2kjg s LYS 91 CO 0.56 -1.77 1.15 1.25 -0.76 0.00 0.00 175.35 175.77 2kjg h LEU 92 N 11.57 0.78 -2.81 3.17 7.12 -1.80 -3.47 115.31 129.87 2kjg h LEU 92 Ca -0.28 -0.76 0.00 0.00 0.13 0.00 0.00 57.88 56.98 2kjg h LEU 92 Cb 1.07 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.91 2kjg h LEU 92 CO 1.17 1.44 -0.51 1.21 -0.13 0.00 0.00 178.44 181.62 2kjg n GLU 93 N -3.97 -2.33 -1.50 1.25 2.13 -1.26 -4.96 120.64 110.00 2kjg n GLU 93 Ca -0.11 1.93 -0.30 0.00 0.66 0.00 0.00 57.16 59.34 2kjg n GLU 93 Cb 0.82 -2.14 0.09 0.00 0.27 0.00 0.00 31.44 30.48 2kjg n GLU 93 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kjg s HIS 94 N -0.21 2.79 0.00 4.31 3.76 -1.26 -3.77 115.29 120.90 2kjg s HIS 94 Ca -0.09 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 2kjg s HIS 94 Cb 0.01 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2kjg s HIS 94 CO 0.25 -1.79 0.00 1.58 -0.85 0.00 0.00 174.74 173.93 2kjg n HIS 95 N -3.46 0.00 -2.86 1.40 -0.00 -1.26 -5.00 115.22 104.05 2kjg n HIS 95 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.52 2kjg n HIS 95 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.54 2kjg n HIS 95 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kjg s HIS 96 N -2.22 3.54 -0.73 1.57 -0.00 -1.25 -4.99 115.29 111.20 2kjg s HIS 96 Ca 0.00 0.72 -0.27 0.00 -0.00 0.00 0.00 55.06 55.51 2kjg s HIS 96 Cb 0.00 -2.21 0.03 0.00 -0.00 0.00 0.00 32.58 30.40 2kjg s HIS 96 CO 0.00 -0.15 1.32 -1.01 -0.00 0.00 0.00 174.74 174.90 2kjg s HIS 97 N -2.58 2.24 -0.71 0.38 3.76 -1.26 -4.67 115.29 112.46 2kjg s HIS 97 Ca 0.46 -0.00 0.25 0.00 -0.15 0.00 0.00 55.06 55.61 2kjg s HIS 97 Cb -0.10 -4.59 0.42 0.00 1.11 0.00 0.00 32.58 29.42 2kjg s HIS 97 CO 0.41 -2.09 1.38 -2.39 -0.85 0.00 0.00 174.74 171.19 2kjg n HIS 98 N 9.62 0.48 -0.60 1.40 1.44 -1.26 -5.23 115.22 121.07 2kjg n HIS 98 Ca 0.05 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 2kjg n HIS 98 Cb 0.49 -0.61 0.00 0.00 0.12 0.00 0.00 29.99 29.99 2kjg n HIS 98 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11