#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjc h THR 10 N 0.00 0.19 0.00 5.53 1.35 -2.05 -3.25 112.91 114.67 2kjc h THR 10 Ca 0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2kjc h THR 10 Cb 0.00 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2kjc h THR 10 CO 0.00 0.11 -0.20 -2.24 -0.25 0.00 0.00 175.52 172.94 2kjc h ASP 11 N 0.00 0.00 -0.33 5.36 2.03 -2.06 -3.21 116.42 118.22 2kjc h ASP 11 Ca -0.05 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 56.34 2kjc h ASP 11 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2kjc h ASP 11 CO 0.02 0.38 0.45 0.00 -1.03 0.00 0.00 179.24 179.06 2kjc h THR 12 N -0.57 0.27 0.13 1.15 1.03 -2.01 -0.81 112.91 112.11 2kjc h THR 12 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2kjc h THR 12 Cb 0.20 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 67.90 2kjc h THR 12 CO 0.00 0.00 -0.06 0.25 -0.01 0.00 0.00 175.52 175.70 2kjc h LEU 13 N 0.00 -0.14 -0.53 0.00 5.85 -1.71 -3.04 115.31 115.74 2kjc h LEU 13 Ca 0.16 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2kjc h LEU 13 Cb 1.05 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2kjc h LEU 13 CO -0.00 0.43 0.00 -0.62 -0.34 0.00 0.00 178.44 177.91 2kjc n GLU 14 N -4.89 0.07 0.16 1.25 -0.58 -0.39 -2.80 120.64 113.46 2kjc n GLU 14 Ca -0.08 0.50 -0.08 0.00 -0.42 0.00 0.00 57.16 57.08 2kjc n GLU 14 Cb 0.28 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 2kjc n GLU 14 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2kjc h ARG 15 N 0.00 -0.47 0.00 3.49 2.43 -1.23 -3.07 114.38 115.53 2kjc h ARG 15 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2kjc h ARG 15 Cb 0.08 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2kjc h ARG 15 CO 0.00 -0.32 0.45 -0.39 -1.51 0.00 0.00 179.97 178.21 2kjc h VAL 16 N -1.08 0.00 0.06 0.20 -1.51 -1.51 1.03 116.25 113.45 2kjc h VAL 16 Ca -0.05 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.17 2kjc h VAL 16 Cb 0.38 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2kjc h VAL 16 CO 0.08 0.00 -1.08 0.74 -1.23 0.00 0.00 177.57 176.08 2kjc h THR 17 N 0.00 1.44 0.00 7.19 2.02 -1.60 -3.13 112.91 118.83 2kjc h THR 17 Ca 0.00 -2.71 -0.00 0.00 0.77 0.00 0.00 66.41 64.47 2kjc h THR 17 Cb 0.91 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 69.97 2kjc h THR 17 CO 0.00 0.80 -0.00 -0.33 0.37 0.00 0.00 175.52 176.36 2kjc h GLU 18 N 0.16 0.00 0.00 6.66 5.08 0.12 -3.16 114.58 123.44 2kjc h GLU 18 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kjc h GLU 18 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2kjc h GLU 18 CO 0.18 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.31 2kjc n ILE 19 N -3.10 0.00 -0.39 3.13 5.41 -1.17 -2.77 119.36 120.48 2kjc n ILE 19 Ca -0.02 1.30 -0.08 0.00 1.00 0.00 0.00 62.75 64.95 2kjc n ILE 19 Cb 0.17 -2.29 -0.06 0.00 -0.71 0.00 0.00 39.64 36.75 2kjc n ILE 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2kjc h PHE 20 N 0.00 -1.62 -1.45 1.39 0.04 -1.69 1.07 116.94 114.68 2kjc h PHE 20 Ca 0.00 0.12 0.43 0.00 2.80 0.00 0.00 57.97 61.32 2kjc h PHE 20 Cb 0.00 0.84 -0.08 0.00 2.20 0.00 0.00 35.95 38.91 2kjc h PHE 20 CO 0.18 -0.39 1.01 -0.22 -0.60 0.00 0.00 178.31 178.29 2kjc h LYS 21 N -0.03 0.06 -0.01 1.51 3.64 -1.63 1.44 116.57 121.55 2kjc h LYS 21 Ca 0.21 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 2kjc h LYS 21 Cb 0.48 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2kjc h LYS 21 CO -0.93 0.04 -0.53 0.00 -2.27 0.00 0.00 179.45 175.76 2kjc h ALA 22 N 1.35 1.09 -0.00 5.00 0.00 0.14 -2.42 119.26 124.42 2kjc h ALA 22 Ca 0.74 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kjc h ALA 22 Cb 2.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.43 2kjc h ALA 22 CO -0.13 0.67 -0.03 1.28 0.00 0.00 0.00 179.25 181.03 2kjc n LEU 23 N -3.91 0.12 -0.16 0.00 7.99 0.49 -3.87 117.00 117.66 2kjc n LEU 23 Ca -0.01 0.21 -0.03 0.00 -0.01 0.00 0.00 56.01 56.17 2kjc n LEU 23 Cb 0.55 -0.26 0.06 0.00 -0.11 0.00 0.00 43.42 43.66 2kjc n LEU 23 CO 0.41 0.02 0.96 1.23 -1.51 0.00 0.00 177.39 178.50 2kjc h GLY 24 N 4.99 0.66 -7.11 -0.72 0.00 -1.05 -3.39 103.07 96.45 2kjc h GLY 24 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 2kjc h GLY 24 CO 0.00 0.00 1.38 2.09 0.00 0.00 0.00 176.54 180.02 2kjc n ASP 25 N -5.02 -0.41 -0.03 0.19 5.75 -1.25 -4.76 116.55 111.02 2kjc n ASP 25 Ca 0.05 -0.85 -0.04 0.00 -0.01 0.00 0.00 54.79 53.94 2kjc n ASP 25 Cb 0.20 -0.90 -0.03 0.00 -1.03 0.00 0.00 41.12 39.37 2kjc n ASP 25 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2kjc h TYR 26 N 11.55 -0.45 -1.76 2.11 5.03 -1.95 -0.75 116.97 130.75 2kjc h TYR 26 Ca 0.03 0.02 0.54 0.00 2.58 0.00 0.00 58.73 61.90 2kjc h TYR 26 Cb 1.09 0.21 -0.10 0.00 1.55 0.00 0.00 36.73 39.48 2kjc h TYR 26 CO 1.32 -0.14 1.23 -2.95 -1.32 0.00 0.00 178.16 176.30 2kjc h ASN 27 N -0.12 0.07 0.08 -2.11 -1.07 -1.96 0.36 115.58 110.83 2kjc h ASN 27 Ca 0.02 0.06 -0.00 0.00 0.07 0.00 0.00 56.30 56.44 2kjc h ASN 27 Cb 0.17 0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 2kjc h ASN 27 CO -0.15 -0.09 -0.04 -0.09 0.07 0.00 0.00 177.43 177.13 2kjc h ARG 28 N 0.00 -0.10 -1.34 4.14 1.12 -1.51 -3.11 114.38 113.58 2kjc h ARG 28 Ca 0.92 0.01 0.43 0.00 -1.11 0.00 0.00 59.98 60.22 2kjc h ARG 28 Cb 3.43 0.02 -0.12 0.00 -0.01 0.00 0.00 29.97 33.29 2kjc h ARG 28 CO -0.18 0.34 0.88 0.82 -3.11 0.00 0.00 179.97 178.72 2kjc h ILE 29 N -0.58 0.15 -0.12 1.20 2.04 -0.04 1.61 117.51 121.77 2kjc h ILE 29 Ca -0.01 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2kjc h ILE 29 Cb 0.49 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2kjc h ILE 29 CO 0.02 0.02 -0.47 -0.09 0.00 0.00 0.00 178.15 177.63 2kjc h ARG 30 N 0.10 0.31 -0.01 2.37 2.43 -1.51 -2.65 114.38 115.41 2kjc h ARG 30 Ca 0.80 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 59.69 2kjc h ARG 30 Cb 2.58 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 32.12 2kjc h ARG 30 CO -0.37 0.72 -0.55 0.82 -1.51 0.00 0.00 179.97 179.08 2kjc h ILE 31 N 0.25 1.39 -0.16 1.20 2.04 0.23 -2.69 117.51 119.77 2kjc h ILE 31 Ca 0.01 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 2kjc h ILE 31 Cb 0.93 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2kjc h ILE 31 CO 0.08 0.54 -0.07 -0.03 0.00 0.00 0.00 178.15 178.67 2kjc h MET 32 N 0.03 0.23 -0.07 2.37 4.05 -0.94 -1.26 114.93 119.35 2kjc h MET 32 Ca -0.00 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 2kjc h MET 32 Cb 0.98 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 2kjc h MET 32 CO 0.07 0.32 -0.33 0.93 0.23 0.00 0.00 176.91 178.13 2kjc h GLU 33 N 0.23 0.13 0.42 0.39 5.08 -1.36 -2.62 114.58 116.85 2kjc h GLU 33 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kjc h GLU 33 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kjc h GLU 33 CO 0.01 0.45 -0.20 1.25 -1.00 0.00 0.00 179.01 179.52 2kjc h LEU 34 N 0.11 -0.48 -1.93 1.33 5.85 -1.24 -3.12 115.31 115.83 2kjc h LEU 34 Ca 0.01 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2kjc h LEU 34 Cb 0.65 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2kjc h LEU 34 CO 0.05 -0.05 0.44 -0.07 -0.34 0.00 0.00 178.44 178.48 2kjc h LEU 35 N -1.11 0.00 0.31 2.25 3.38 -1.47 -0.88 115.31 117.80 2kjc h LEU 35 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2kjc h LEU 35 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kjc h LEU 35 CO 0.09 0.00 -0.15 -1.28 0.09 0.00 0.00 178.44 177.19 2kjc h SER 36 N 0.00 -0.36 -0.82 -0.43 0.87 -1.41 -2.99 113.55 108.41 2kjc h SER 36 Ca 0.15 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2kjc h SER 36 Cb 1.04 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 2kjc h SER 36 CO -0.00 -0.06 0.54 0.58 -0.53 0.00 0.00 176.83 177.35 2kjc h VAL 37 N -0.66 1.06 -1.12 2.23 2.07 -1.14 -3.45 116.25 115.23 2kjc h VAL 37 Ca -0.04 -0.32 0.21 0.00 0.82 0.00 0.00 66.70 67.37 2kjc h VAL 37 Cb 0.47 0.06 -0.29 0.00 -1.52 0.00 0.00 31.29 30.01 2kjc h VAL 37 CO 0.07 0.17 0.88 -0.55 0.02 0.00 0.00 177.57 178.16 2kjc s SER 38 N -6.12 -0.08 0.96 0.57 0.15 -1.00 -5.15 113.70 103.02 2kjc s SER 38 Ca -0.11 0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 2kjc s SER 38 Cb 0.19 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.66 2kjc s SER 38 CO 0.79 -0.06 0.45 -1.84 1.20 0.00 0.00 173.24 173.77 2kjc n GLU 39 N 0.89 -0.38 -3.59 5.44 0.28 -1.24 -3.98 120.64 118.05 2kjc n GLU 39 Ca -0.04 -0.07 -0.17 0.00 -0.16 0.00 0.00 57.16 56.72 2kjc n GLU 39 Cb 0.58 -1.89 -0.07 0.00 1.43 0.00 0.00 31.44 31.49 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kjc s ALA 40 N -2.41 -1.49 0.53 -1.84 0.00 -1.25 -4.95 121.76 110.36 2kjc s ALA 40 Ca 0.58 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 2kjc s ALA 40 Cb -0.21 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2kjc s ALA 40 CO 0.67 -0.34 0.83 0.45 0.00 0.00 0.00 175.76 177.37 2kjc s SER 41 N -1.21 5.94 0.20 0.00 0.15 -1.26 -3.92 113.70 113.59 2kjc s SER 41 Ca -0.12 0.79 -0.14 0.00 0.70 0.00 0.00 55.95 57.18 2kjc s SER 41 Cb -0.02 -1.96 0.21 0.00 -1.71 0.00 0.00 66.02 62.54 2kjc s SER 41 CO 0.08 -0.80 1.64 0.58 1.20 0.00 0.00 173.24 175.94 2kjc h VAL 42 N 0.06 0.46 -0.47 4.45 2.07 -2.00 -1.24 116.25 119.58 2kjc h VAL 42 Ca -0.46 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.09 2kjc h VAL 42 Cb 1.23 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2kjc h VAL 42 CO 0.61 0.00 0.24 1.23 0.02 0.00 0.00 177.57 179.68 2kjc h GLY 43 N 0.02 0.65 0.40 2.17 0.00 -1.96 -1.73 103.07 102.62 2kjc h GLY 43 Ca 0.28 -0.17 0.23 0.00 0.00 0.00 0.00 47.33 47.67 2kjc h GLY 43 CO -0.56 0.12 0.58 0.45 0.00 0.00 0.00 176.54 177.13 2kjc h HIS 44 N 0.48 0.01 0.00 5.60 -0.00 -1.60 0.46 115.15 120.10 2kjc h HIS 44 Ca 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 2kjc h HIS 44 Cb 0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2kjc h HIS 44 CO -0.10 0.00 -0.24 0.82 -0.00 0.00 0.00 177.93 178.42 2kjc h ILE 45 N 0.01 0.96 0.25 2.45 1.08 -1.10 -3.21 117.51 117.95 2kjc h ILE 45 Ca 0.38 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2kjc h ILE 45 Cb 1.52 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 2kjc h ILE 45 CO -0.01 0.23 -0.38 0.28 -0.69 0.00 0.00 178.15 177.58 2kjc h SER 46 N 0.00 -1.09 0.00 1.72 0.02 -0.14 -1.11 113.55 112.95 2kjc h SER 46 Ca -0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2kjc h SER 46 Cb 0.48 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2kjc h SER 46 CO 0.03 -0.46 0.19 -0.74 -1.14 0.00 0.00 176.83 174.71 2kjc h HIS 47 N -0.67 0.00 0.00 3.45 -0.00 -1.68 2.32 115.15 118.57 2kjc h HIS 47 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 2kjc h HIS 47 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.01 2kjc h HIS 47 CO -0.29 0.00 -0.20 0.37 -0.00 0.00 0.00 177.93 177.81 2kjc h GLN 48 N 0.00 0.00 0.00 5.26 5.75 -1.26 -3.37 115.11 121.49 2kjc h GLN 48 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2kjc h GLN 48 Cb 0.37 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2kjc h GLN 48 CO 0.00 0.20 -0.07 -0.11 -2.65 0.00 0.00 178.83 176.20 2kjc n LEU 49 N -3.33 -0.24 -3.10 -2.39 7.94 -0.08 -5.09 117.00 110.73 2kjc n LEU 49 Ca 0.00 -1.08 -0.00 0.00 -1.11 0.00 0.00 56.01 53.83 2kjc n LEU 49 Cb 0.43 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.38 2kjc n LEU 49 CO 0.33 1.04 -0.44 0.59 -1.11 0.00 0.00 177.39 177.80 2kjc n ASN 50 N 0.00 -6.75 -3.97 1.96 3.02 0.76 -5.02 115.26 105.27 2kjc n ASN 50 Ca -0.07 0.64 -0.09 0.00 -0.03 0.00 0.00 54.58 55.03 2kjc n ASN 50 Cb 0.48 -2.15 -0.05 0.00 -0.61 0.00 0.00 39.78 37.45 2kjc n ASN 50 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kjc s LEU 51 N -0.94 0.24 0.39 3.41 2.96 -1.22 -5.03 118.68 118.49 2kjc s LEU 51 Ca -0.01 -0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 52.84 2kjc s LEU 51 Cb 0.00 1.90 -0.09 0.00 0.50 0.00 0.00 46.19 48.50 2kjc s LEU 51 CO 0.12 -1.17 0.85 -0.55 -1.32 0.00 0.00 176.35 174.28 2kjc s SER 52 N -3.01 6.80 -0.06 3.68 0.15 -1.26 -4.67 113.70 115.33 2kjc s SER 52 Ca 0.21 1.45 -0.25 0.00 0.70 0.00 0.00 55.95 58.06 2kjc s SER 52 Cb -0.01 -2.45 -0.20 0.00 -1.71 0.00 0.00 66.02 61.65 2kjc s SER 52 CO 0.09 -0.32 1.01 1.56 1.20 0.00 0.00 173.24 176.78 2kjc h GLN 53 N 1.88 -0.08 -1.16 5.44 4.20 -1.97 -3.09 115.11 120.33 2kjc h GLN 53 Ca -0.48 0.01 0.34 0.00 0.06 0.00 0.00 58.65 58.57 2kjc h GLN 53 Cb 1.18 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.87 2kjc h GLN 53 CO 0.63 0.49 0.75 0.77 -0.67 0.00 0.00 178.83 180.80 2kjc h SER 54 N -0.73 0.34 -0.26 1.46 0.02 -1.98 0.48 113.55 112.88 2kjc h SER 54 Ca -0.01 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2kjc h SER 54 Cb 0.60 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2kjc h SER 54 CO 0.01 -0.03 -0.14 0.78 -1.14 0.00 0.00 176.83 176.31 2kjc h ASN 55 N 0.25 0.57 -0.20 3.07 -0.26 -1.97 -1.36 115.58 115.67 2kjc h ASN 55 Ca 0.69 -0.42 -0.15 0.00 -0.56 0.00 0.00 56.30 55.86 2kjc h ASN 55 Cb 1.98 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 39.08 2kjc h ASN 55 CO -0.34 0.86 -0.42 0.58 -1.06 0.00 0.00 177.43 177.06 2kjc h VAL 56 N 0.28 1.29 -0.41 2.81 2.07 -0.19 -2.16 116.25 119.93 2kjc h VAL 56 Ca 0.06 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 2kjc h VAL 56 Cb 0.66 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2kjc h VAL 56 CO 0.04 0.52 0.16 0.77 0.02 0.00 0.00 177.57 179.08 2kjc h SER 57 N 0.61 0.56 0.20 0.57 4.64 -0.33 -1.80 113.55 118.01 2kjc h SER 57 Ca 0.05 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2kjc h SER 57 Cb 0.97 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2kjc h SER 57 CO 0.09 0.58 -0.10 0.45 -0.87 0.00 0.00 176.83 176.98 2kjc h HIS 58 N 0.51 -0.25 0.18 4.77 -0.00 -1.18 -2.98 115.15 116.20 2kjc h HIS 58 Ca 0.14 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2kjc h HIS 58 Cb 0.19 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 2kjc h HIS 58 CO 0.00 -0.14 -0.53 0.37 -0.00 0.00 0.00 177.93 177.63 2kjc h GLN 59 N -0.30 -0.77 -0.79 2.45 4.15 -1.29 0.27 115.11 118.83 2kjc h GLN 59 Ca -0.03 0.05 0.23 0.00 0.77 0.00 0.00 58.65 59.67 2kjc h GLN 59 Cb 0.23 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2kjc h GLN 59 CO 0.05 -0.51 0.96 -0.07 -1.93 0.00 0.00 178.83 177.32 2kjc h LEU 60 N -0.80 0.00 -0.30 -2.39 3.38 -1.29 0.84 115.31 114.75 2kjc h LEU 60 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2kjc h LEU 60 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kjc h LEU 60 CO -0.25 0.00 -0.44 0.50 0.09 0.00 0.00 178.44 178.34 2kjc h LYS 61 N 0.00 0.83 -0.05 1.13 3.64 -0.78 -1.66 116.57 119.68 2kjc h LYS 61 Ca 0.38 -0.49 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2kjc h LYS 61 Cb 2.29 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 34.15 2kjc h LYS 61 CO -0.00 1.13 -0.07 -0.07 -2.27 0.00 0.00 179.45 178.16 2kjc h LEU 62 N 0.61 0.07 -0.07 5.20 4.07 0.76 -1.49 115.31 124.45 2kjc h LEU 62 Ca 0.03 -0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.77 2kjc h LEU 62 Cb 1.04 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2kjc h LEU 62 CO 0.10 0.15 -1.00 -0.07 -1.08 0.00 0.00 178.44 176.55 2kjc h LEU 63 N 0.07 0.10 -1.97 1.67 4.07 -1.36 -3.12 115.31 114.77 2kjc h LEU 63 Ca 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2kjc h LEU 63 Cb 0.17 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 2kjc h LEU 63 CO 0.01 1.03 -0.05 0.50 -1.08 0.00 0.00 178.44 178.85 2kjc h LYS 64 N 0.02 0.00 -0.01 1.13 3.64 -0.30 -2.56 116.57 118.49 2kjc h LYS 64 Ca -0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2kjc h LYS 64 Cb 1.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 2kjc h LYS 64 CO 0.14 0.05 -0.06 0.77 -2.27 0.00 0.00 179.45 178.07 2kjc h SER 65 N 0.00 0.07 0.00 4.20 0.02 -1.40 -3.21 113.55 113.24 2kjc h SER 65 Ca -0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2kjc h SER 65 Cb 0.34 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2kjc h SER 65 CO 0.01 0.75 0.00 0.55 -1.14 0.00 0.00 176.83 177.00 2kjc n VAL 66 N -4.69 0.82 -0.95 2.27 3.14 -1.13 -4.73 118.33 113.05 2kjc n VAL 66 Ca -0.09 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2kjc n VAL 66 Cb 0.37 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2kjc n HIS 67 N 0.63 0.00 -3.92 1.45 -0.00 -1.21 -4.95 115.22 107.22 2kjc n HIS 67 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 2kjc n HIS 67 Cb 0.40 -1.94 -0.05 0.00 -0.00 0.00 0.00 29.99 28.40 2kjc n HIS 67 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2kjc s LEU 68 N 0.00 4.33 0.43 2.41 2.96 -0.98 -4.95 118.68 122.89 2kjc s LEU 68 Ca 0.00 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2kjc s LEU 68 Cb 0.00 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.18 2kjc s LEU 68 CO 0.00 0.28 0.00 0.52 -1.32 0.00 0.00 176.35 175.83 2kjc n VAL 69 N 1.11 -2.21 -4.20 1.68 0.31 -1.26 -3.15 118.33 110.61 2kjc n VAL 69 Ca -0.12 1.09 -0.15 0.00 -0.01 0.00 0.00 64.34 65.15 2kjc n VAL 69 Cb 0.53 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 2kjc n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2kjc s LYS 70 N -5.03 1.55 -0.05 5.55 1.02 -1.26 -4.62 119.74 116.91 2kjc s LYS 70 Ca 0.00 -1.77 0.02 0.00 0.02 0.00 0.00 55.97 54.23 2kjc s LYS 70 Cb 0.00 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2kjc s LYS 70 CO 0.00 -0.57 -0.09 0.00 -0.92 0.00 0.00 175.35 173.77 2kjc s ALA 71 N -3.70 0.98 -0.06 5.17 0.00 -1.26 -4.27 121.76 118.62 2kjc s ALA 71 Ca 0.37 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2kjc s ALA 71 Cb 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2kjc s ALA 71 CO 0.19 0.07 -0.21 0.15 0.00 0.00 0.00 175.76 175.97 2kjc s LYS 72 N 0.70 2.54 -0.14 0.00 1.02 -1.03 -5.05 119.74 117.79 2kjc s LYS 72 Ca -0.12 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 54.85 2kjc s LYS 72 Cb -0.14 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 2kjc s LYS 72 CO 0.02 0.47 0.54 0.50 -0.92 0.00 0.00 175.35 175.96 2kjc s ARG 73 N -0.36 4.31 -0.31 1.68 3.52 -1.26 -2.43 118.95 124.10 2kjc s ARG 73 Ca 0.03 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 2kjc s ARG 73 Cb -0.12 -3.48 0.14 0.00 -1.56 0.00 0.00 34.95 29.93 2kjc s ARG 73 CO 0.02 0.04 0.31 -1.14 -0.81 0.00 0.00 175.30 173.72 2kjc s GLN 74 N 1.00 0.40 4.07 5.12 0.74 -1.18 -4.99 119.66 124.81 2kjc s GLN 74 Ca 0.28 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.35 2kjc s GLN 74 Cb -0.16 -0.69 0.00 0.00 1.10 0.00 0.00 33.01 33.26 2kjc s GLN 74 CO 0.11 -1.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.19 2kjc n GLY 75 N 5.03 1.82 0.00 2.59 0.00 -1.26 -3.10 105.19 110.28 2kjc n GLY 75 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kjc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kjc n GLN 76 N 0.00 2.40 -3.31 1.61 6.02 -1.26 -5.06 117.38 117.78 2kjc n GLN 76 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2kjc n GLN 76 Cb 0.00 -0.80 -0.06 0.00 1.02 0.00 0.00 30.24 30.41 2kjc n GLN 76 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kjc s SER 77 N -1.73 6.87 -0.57 1.08 0.15 -1.18 -5.04 113.70 113.28 2kjc s SER 77 Ca 0.00 1.14 -0.17 0.00 0.70 0.00 0.00 55.95 57.62 2kjc s SER 77 Cb 0.00 -2.31 0.12 0.00 -1.71 0.00 0.00 66.02 62.11 2kjc s SER 77 CO 0.00 0.09 0.61 -0.04 1.20 0.00 0.00 173.24 175.10 2kjc s MET 78 N -1.94 3.03 0.06 5.44 -1.94 -1.26 -3.10 119.30 119.59 2kjc s MET 78 Ca 0.38 -1.53 -0.30 0.00 -1.71 0.00 0.00 55.69 52.53 2kjc s MET 78 Cb -0.15 -4.29 -0.05 0.00 2.01 0.00 0.00 34.83 32.35 2kjc s MET 78 CO 0.19 -1.44 1.00 0.42 -0.01 0.00 0.00 175.02 175.18 2kjc s ILE 79 N 2.12 4.60 -0.02 2.53 -1.09 -1.02 -4.68 121.20 123.64 2kjc s ILE 79 Ca 0.08 1.99 0.02 0.00 -2.23 0.00 0.00 60.65 60.51 2kjc s ILE 79 Cb -0.27 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2kjc s ILE 79 CO 0.04 0.23 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.60 2kjc s TYR 80 N 0.54 2.91 0.31 3.97 2.02 -1.25 -2.46 117.35 123.38 2kjc s TYR 80 Ca 0.50 -0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 57.12 2kjc s TYR 80 Cb -0.23 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2kjc s TYR 80 CO 0.29 0.36 0.53 -1.13 -1.57 0.00 0.00 175.55 174.03 2kjc n SER 81 N 1.76 -1.51 -4.75 2.29 3.41 -1.26 -3.77 113.62 109.79 2kjc n SER 81 Ca -0.16 -2.48 -0.30 0.00 -0.26 0.00 0.00 58.87 55.66 2kjc n SER 81 Cb 0.53 2.64 0.11 0.00 -0.26 0.00 0.00 64.21 67.23 2kjc n SER 81 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kjc s LEU 82 N 0.00 2.58 -0.03 1.04 1.43 -1.26 -4.14 118.68 118.30 2kjc s LEU 82 Ca 0.19 1.57 -0.16 0.00 -1.03 0.00 0.00 54.13 54.70 2kjc s LEU 82 Cb -0.02 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 41.99 2kjc s LEU 82 CO 0.14 -2.31 0.70 0.44 0.23 0.00 0.00 176.35 175.55 2kjc h ASP 83 N -1.32 -0.50 -0.90 2.29 3.32 -1.97 -3.45 116.42 113.89 2kjc h ASP 83 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2kjc h ASP 83 Cb 1.26 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2kjc h ASP 83 CO 0.54 -0.10 0.00 -0.67 -1.72 0.00 0.00 179.24 177.29 2kjc n ASP 84 N -5.04 0.00 -3.72 6.45 2.03 -1.26 -5.04 116.55 109.96 2kjc n ASP 84 Ca -0.07 -1.00 -0.42 0.00 0.52 0.00 0.00 54.79 53.82 2kjc n ASP 84 Cb 0.23 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.59 2kjc n ASP 84 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2kjc n ILE 85 N 0.00 2.35 0.00 5.18 2.08 -1.26 -3.21 119.36 124.50 2kjc n ILE 85 Ca 0.00 -2.08 0.00 0.00 0.56 0.00 0.00 62.75 61.23 2kjc n ILE 85 Cb 0.00 -2.40 0.00 0.00 -0.75 0.00 0.00 39.64 36.49 2kjc n ILE 85 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2kjc n HIS 86 N 7.42 0.00 0.09 1.39 8.25 -1.26 -4.91 115.22 126.19 2kjc n HIS 86 Ca 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.81 2kjc n HIS 86 Cb 0.40 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.38 2kjc n HIS 86 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2kjc h VAL 87 N 0.00 1.44 0.85 1.59 2.07 -1.99 -3.12 116.25 117.09 2kjc h VAL 87 Ca 0.00 -3.05 -0.04 0.00 0.82 0.00 0.00 66.70 64.43 2kjc h VAL 87 Cb 0.00 2.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2kjc h VAL 87 CO 0.00 0.88 -0.41 0.00 0.02 0.00 0.00 177.57 178.06 2kjc h ALA 88 N 0.63 -1.23 -0.95 1.67 0.00 -1.91 -2.78 119.26 114.69 2kjc h ALA 88 Ca -0.14 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.62 2kjc h ALA 88 Cb 1.96 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 20.11 2kjc h ALA 88 CO 0.18 -1.15 0.61 0.00 0.00 0.00 0.00 179.25 178.89 2kjc h THR 89 N -1.20 0.95 -0.66 0.00 1.03 -1.92 -1.56 112.91 109.56 2kjc h THR 89 Ca -0.12 -0.33 0.13 0.00 -0.01 0.00 0.00 66.41 66.09 2kjc h THR 89 Cb 0.87 -0.08 -0.09 0.00 -1.07 0.00 0.00 68.15 67.78 2kjc h THR 89 CO 0.19 0.17 0.17 -0.03 -0.01 0.00 0.00 175.52 176.02 2kjc h MET 90 N 0.95 0.29 -0.75 0.00 -1.53 -1.46 0.29 114.93 112.71 2kjc h MET 90 Ca 0.45 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.73 2kjc h MET 90 Cb 0.44 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.38 2kjc h MET 90 CO -0.21 0.19 0.48 1.25 0.14 0.00 0.00 176.91 178.76 2kjc h LEU 91 N 0.30 0.78 0.42 3.39 5.85 -1.00 -2.79 115.31 122.26 2kjc h LEU 91 Ca 0.35 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 2kjc h LEU 91 Cb 0.54 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2kjc h LEU 91 CO -0.42 0.54 -0.20 0.11 -0.34 0.00 0.00 178.44 178.12 2kjc h LYS 92 N 0.93 -0.54 -1.80 1.25 1.57 -0.82 -3.18 116.57 113.97 2kjc h LYS 92 Ca 0.30 0.04 0.55 0.00 -1.87 0.00 0.00 60.65 59.67 2kjc h LYS 92 Cb 0.02 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 2kjc h LYS 92 CO -0.11 -0.36 1.27 0.37 -0.57 0.00 0.00 179.45 180.04 2kjc h GLN 93 N -0.82 0.00 0.19 3.15 5.75 -0.53 -0.63 115.11 122.22 2kjc h GLN 93 Ca -0.06 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2kjc h GLN 93 Cb 0.43 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2kjc h GLN 93 CO 0.09 0.00 -0.09 0.00 -2.65 0.00 0.00 178.83 176.19 2kjc h ALA 94 N 1.19 -0.57 0.00 3.38 0.00 -1.48 -3.07 119.26 118.70 2kjc h ALA 94 Ca 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.78 2kjc h ALA 94 Cb 3.50 0.10 0.00 0.00 0.00 0.00 0.00 17.79 21.39 2kjc h ALA 94 CO -0.14 -0.55 0.00 -0.89 0.00 0.00 0.00 179.25 177.66 2kjc n ILE 95 N -3.18 1.05 0.10 0.00 -0.00 -0.52 -2.40 119.36 114.41 2kjc n ILE 95 Ca -0.03 0.26 -0.05 0.00 -0.00 0.00 0.00 62.75 62.94 2kjc n ILE 95 Cb 0.10 -1.26 -0.02 0.00 -0.00 0.00 0.00 39.64 38.45 2kjc n ILE 95 CO 0.00 0.00 0.00 -0.74 -0.00 0.00 0.00 176.55 175.81 2kjc h HIS 96 N 0.00 -0.27 0.00 1.39 2.76 -1.07 -2.99 115.15 114.97 2kjc h HIS 96 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kjc h HIS 96 Cb 0.00 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2kjc h HIS 96 CO 0.00 -0.17 0.13 1.25 -1.30 0.00 0.00 177.93 177.84 2kjc h HIS 97 N -0.72 0.00 0.00 5.26 -0.00 -1.46 0.16 115.15 118.38 2kjc h HIS 97 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2kjc h HIS 97 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2kjc h HIS 97 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.96 2kjc n ALA 98 N -1.78 -0.21 0.10 5.26 0.00 -1.18 -4.49 120.51 118.22 2kjc n ALA 98 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2kjc n ALA 98 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 2kjc n ALA 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kjc h ASN 99 N 0.00 -0.28 -6.42 0.00 -0.00 -1.36 -3.48 115.58 104.04 2kjc h ASN 99 Ca 0.00 -0.15 -0.43 0.00 -0.00 0.00 0.00 56.30 55.72 2kjc h ASN 99 Cb 0.00 0.07 0.03 0.00 -0.00 0.00 0.00 38.32 38.42 2kjc h ASN 99 CO 0.00 0.22 -0.88 1.57 -0.00 0.00 0.00 177.43 178.34 2kjc n HIS 100 N -5.00 -1.99 -2.68 0.67 -0.00 0.53 -4.88 115.22 101.87 2kjc n HIS 100 Ca -0.06 0.58 -0.42 0.00 -0.00 0.00 0.00 57.72 57.82 2kjc n HIS 100 Cb 0.21 -3.18 -0.03 0.00 -0.00 0.00 0.00 29.99 26.99 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2kjc s PRO 101 N -5.55 4.49 0.04 1.57 0.04 -1.26 -4.96 135.00 129.37 2kjc s PRO 101 Ca 0.27 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 2kjc s PRO 101 Cb -0.11 -3.50 -0.16 0.00 0.04 0.00 0.00 34.50 30.77 2kjc s PRO 101 CO 0.88 -0.19 1.27 0.87 0.04 0.00 0.00 177.00 179.87 2kjc h LYS 102 N 6.96 0.46 0.00 4.56 1.57 -2.03 -3.55 116.57 124.54 2kjc h LYS 102 Ca -0.36 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2kjc h LYS 102 Cb 1.18 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2kjc h LYS 102 CO 0.80 0.94 0.00 0.39 -0.57 0.00 0.00 179.45 181.01