#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 0.50 0.50 -0.44 2.02 -2.05 0.23 112.91 113.67 2kjc h THR 10 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2kjc h THR 10 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2kjc h THR 10 CO 0.00 0.04 -0.24 0.44 0.37 0.00 0.00 175.52 176.13 2kjc h ASP 11 N 0.23 -0.57 0.33 4.18 3.32 -2.07 -2.59 116.42 119.26 2kjc h ASP 11 Ca 0.56 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.53 2kjc h ASP 11 Cb 1.72 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.42 2kjc h ASP 11 CO -0.17 -0.26 -0.16 0.71 -1.72 0.00 0.00 179.24 177.64 2kjc h THR 12 N -0.89 0.69 -1.23 0.35 1.35 -1.62 -2.41 112.91 109.15 2kjc h THR 12 Ca -0.07 -0.24 0.36 0.00 -0.55 0.00 0.00 66.41 65.91 2kjc h THR 12 Cb 0.60 0.82 -0.05 0.00 -1.73 0.00 0.00 68.15 67.79 2kjc h THR 12 CO 0.11 0.05 1.00 0.25 -0.25 0.00 0.00 175.52 176.68 2kjc h LEU 13 N -0.57 0.00 0.51 3.87 5.85 -0.69 0.22 115.31 124.49 2kjc h LEU 13 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kjc h LEU 13 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2kjc h LEU 13 CO 0.07 0.00 -0.24 -0.08 -0.34 0.00 0.00 178.44 177.85 2kjc h GLU 14 N 0.00 -0.66 -0.89 1.25 4.22 -1.01 -3.17 114.58 114.32 2kjc h GLU 14 Ca 0.59 0.04 0.02 0.00 0.08 0.00 0.00 59.36 60.09 2kjc h GLU 14 Cb 2.58 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.94 2kjc h GLU 14 CO -0.01 -0.35 0.58 0.00 -2.18 0.00 0.00 179.01 177.06 2kjc h ARG 15 N -0.99 1.12 -0.87 1.92 3.08 -0.61 -2.30 114.38 115.72 2kjc h ARG 15 Ca -0.07 -0.07 0.22 0.00 0.07 0.00 0.00 59.98 60.13 2kjc h ARG 15 Cb 0.61 -0.25 -0.13 0.00 0.08 0.00 0.00 29.97 30.28 2kjc h ARG 15 CO 0.11 0.74 0.29 0.28 -1.07 0.00 0.00 179.97 180.33 2kjc h VAL 16 N 1.15 0.40 -0.41 2.04 2.07 -1.19 0.51 116.25 120.82 2kjc h VAL 16 Ca 0.34 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 2kjc h VAL 16 Cb -0.05 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2kjc h VAL 16 CO -0.09 0.05 0.01 0.74 0.02 0.00 0.00 177.57 178.30 2kjc h THR 17 N 0.29 1.22 0.00 2.57 2.02 -1.39 -1.64 112.91 115.98 2kjc h THR 17 Ca 0.54 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2kjc h THR 17 Cb 1.05 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2kjc h THR 17 CO -0.59 0.30 -0.00 -0.08 0.37 0.00 0.00 175.52 175.52 2kjc h GLU 18 N 0.61 0.00 -0.01 6.66 4.57 0.02 -0.76 114.58 125.67 2kjc h GLU 18 Ca 0.13 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.16 2kjc h GLU 18 Cb 0.37 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2kjc h GLU 18 CO 0.01 0.00 -0.69 0.82 -1.18 0.00 0.00 179.01 177.98 2kjc h ILE 19 N 0.00 1.48 0.00 2.32 2.04 -0.97 -3.07 117.51 119.31 2kjc h ILE 19 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2kjc h ILE 19 Cb 0.03 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2kjc h ILE 19 CO 0.00 0.67 -0.03 -0.26 0.00 0.00 0.00 178.15 178.53 2kjc h PHE 20 N 0.03 0.00 -1.17 1.37 -1.00 -1.21 -3.38 116.94 111.58 2kjc h PHE 20 Ca -0.01 0.00 0.35 0.00 2.81 0.00 0.00 57.97 61.12 2kjc h PHE 20 Cb 1.22 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.67 2kjc h PHE 20 CO 0.00 0.00 0.75 -0.22 -1.61 0.00 0.00 178.31 177.23 2kjc h LYS 21 N -0.19 0.23 -0.09 1.51 3.64 -1.67 0.68 116.57 120.69 2kjc h LYS 21 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2kjc h LYS 21 Cb 0.03 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2kjc h LYS 21 CO 0.00 0.15 0.17 0.00 -2.27 0.00 0.00 179.45 177.51 2kjc h ALA 22 N 1.62 1.50 -0.29 5.00 0.00 -1.70 0.22 119.26 125.61 2kjc h ALA 22 Ca 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2kjc h ALA 22 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2kjc h ALA 22 CO -0.36 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 179.95 2kjc n LEU 23 N -3.44 1.82 0.31 0.00 4.77 0.24 -4.35 117.00 116.35 2kjc n LEU 23 Ca -0.00 -0.86 -0.17 0.00 -0.03 0.00 0.00 56.01 54.94 2kjc n LEU 23 Cb 0.26 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 2kjc n LEU 23 CO 0.23 0.43 0.62 1.23 -1.33 0.00 0.00 177.39 178.57 2kjc h GLY 24 N 5.15 -0.96 -7.13 -0.72 0.00 -0.66 -3.41 103.07 95.34 2kjc h GLY 24 Ca 0.00 0.41 -0.57 0.00 0.00 0.00 0.00 47.33 47.18 2kjc h GLY 24 CO 0.00 -0.34 1.60 1.22 0.00 0.00 0.00 176.54 179.01 2kjc n ASP 25 N -5.50 1.19 0.29 0.19 9.92 -1.26 -4.70 116.55 116.68 2kjc n ASP 25 Ca -0.12 0.16 0.11 0.00 -0.53 0.00 0.00 54.79 54.40 2kjc n ASP 25 Cb 0.39 -1.13 0.58 0.00 -0.64 0.00 0.00 41.12 40.32 2kjc n ASP 25 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2kjc h TYR 26 N 13.29 0.00 0.11 1.24 -1.99 -1.97 0.57 116.97 128.22 2kjc h TYR 26 Ca -0.15 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.30 2kjc h TYR 26 Cb 1.32 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.05 2kjc h TYR 26 CO 1.02 0.00 -1.39 -0.91 -0.00 0.00 0.00 178.16 176.88 2kjc h ASN 27 N 0.00 0.38 0.32 3.88 4.21 -1.93 -3.19 115.58 119.26 2kjc h ASN 27 Ca 0.00 -0.47 -0.20 0.00 1.21 0.00 0.00 56.30 56.85 2kjc h ASN 27 Cb 0.82 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.90 2kjc h ASN 27 CO 0.00 1.38 -0.80 -0.09 -1.29 0.00 0.00 177.43 176.62 2kjc h ARG 28 N 0.07 0.37 -0.05 0.81 2.43 -0.22 -3.01 114.38 114.79 2kjc h ARG 28 Ca -0.19 -0.34 -0.15 0.00 -0.81 0.00 0.00 59.98 58.49 2kjc h ARG 28 Cb 1.99 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.61 2kjc h ARG 28 CO 0.18 1.00 -0.64 0.97 -1.51 0.00 0.00 179.97 179.96 2kjc h ILE 29 N 0.24 1.41 -0.06 1.20 6.09 -1.55 -3.01 117.51 121.83 2kjc h ILE 29 Ca -0.05 -2.10 -0.14 0.00 -1.37 0.00 0.00 64.86 61.20 2kjc h ILE 29 Cb 1.40 2.09 -0.01 0.00 0.47 0.00 0.00 36.82 40.77 2kjc h ILE 29 CO 0.14 0.61 -0.60 0.03 -3.07 0.00 0.00 178.15 175.26 2kjc h ARG 30 N 0.13 0.22 0.00 2.19 3.08 -1.57 -2.69 114.38 115.74 2kjc h ARG 30 Ca -0.01 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 2kjc h ARG 30 Cb 1.16 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2kjc h ARG 30 CO 0.10 0.75 -0.23 0.82 -1.07 0.00 0.00 179.97 180.34 2kjc h ILE 31 N 0.16 0.64 -0.06 2.04 2.04 -1.44 -2.65 117.51 118.25 2kjc h ILE 31 Ca -0.01 -1.04 -0.23 0.00 1.00 0.00 0.00 64.86 64.58 2kjc h ILE 31 Cb 1.10 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 38.86 2kjc h ILE 31 CO 0.09 0.22 -0.89 -0.03 0.00 0.00 0.00 178.15 177.55 2kjc h MET 32 N 0.00 0.62 -0.59 2.37 4.05 -1.36 -3.03 114.93 116.99 2kjc h MET 32 Ca -0.00 -0.59 0.15 0.00 -0.28 0.00 0.00 59.70 58.98 2kjc h MET 32 Cb 0.66 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 2kjc h MET 32 CO 0.03 1.20 0.41 0.93 0.23 0.00 0.00 176.91 179.71 2kjc h GLU 33 N 0.39 0.10 0.03 0.39 4.39 -1.21 0.35 114.58 119.02 2kjc h GLU 33 Ca -0.08 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2kjc h GLU 33 Cb 1.52 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2kjc h GLU 33 CO 0.17 0.07 -0.02 1.25 -1.16 0.00 0.00 179.01 179.32 2kjc h LEU 34 N 0.11 -0.04 -0.61 1.33 7.12 -1.51 -3.12 115.31 118.59 2kjc h LEU 34 Ca 0.28 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.29 2kjc h LEU 34 Cb 0.97 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 2kjc h LEU 34 CO -0.03 0.04 0.17 0.18 -0.13 0.00 0.00 178.44 178.67 2kjc n LEU 35 N -2.48 0.24 -0.04 2.25 4.32 -1.16 -1.07 117.00 119.06 2kjc n LEU 35 Ca -0.01 0.52 -0.14 0.00 -0.02 0.00 0.00 56.01 56.36 2kjc n LEU 35 Cb 0.02 -0.51 -0.12 0.00 -1.62 0.00 0.00 43.42 41.19 2kjc n LEU 35 CO 0.01 -0.60 0.48 0.28 -1.22 0.00 0.00 177.39 176.34 2kjc h SER 36 N 0.00 0.03 1.47 -1.43 0.02 -0.97 -3.29 113.55 109.37 2kjc h SER 36 Ca 0.00 -0.79 -0.10 0.00 -0.84 0.00 0.00 61.79 60.06 2kjc h SER 36 Cb 0.33 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2kjc h SER 36 CO 0.00 0.81 -0.46 1.62 -1.14 0.00 0.00 176.83 177.66 2kjc h VAL 37 N -0.76 0.81 -1.00 2.27 3.04 -1.03 -3.45 116.25 116.12 2kjc h VAL 37 Ca -0.00 -2.09 0.17 0.00 -1.01 0.00 0.00 66.70 63.77 2kjc h VAL 37 Cb 0.82 2.36 -0.25 0.00 -2.01 0.00 0.00 31.29 32.21 2kjc h VAL 37 CO 0.01 0.45 0.28 -0.94 -1.01 0.00 0.00 177.57 176.36 2kjc s SER 38 N -6.44 -0.52 1.05 3.17 1.04 -0.29 -5.13 113.70 106.59 2kjc s SER 38 Ca 0.04 0.73 -0.22 0.00 0.48 0.00 0.00 55.95 56.98 2kjc s SER 38 Cb 0.08 1.55 -0.04 0.00 0.10 0.00 0.00 66.02 67.70 2kjc s SER 38 CO 0.73 -0.10 -0.66 -0.62 0.98 0.00 0.00 173.24 173.58 2kjc n GLU 39 N 4.75 -0.74 -3.57 4.02 1.02 -1.24 -3.71 120.64 121.17 2kjc n GLU 39 Ca -0.10 -0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 56.67 2kjc n GLU 39 Cb 0.53 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kjc s ALA 40 N -2.13 -1.51 0.83 0.62 0.00 -1.26 -4.84 121.76 113.47 2kjc s ALA 40 Ca 0.47 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 2kjc s ALA 40 Cb -0.04 0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.29 2kjc s ALA 40 CO 0.68 -0.39 0.64 0.43 0.00 0.00 0.00 175.76 177.12 2kjc n SER 41 N 0.85 0.32 0.27 0.00 7.64 -1.26 -4.24 113.62 117.19 2kjc n SER 41 Ca -0.19 -1.40 -0.11 0.00 1.01 0.00 0.00 58.87 58.18 2kjc n SER 41 Cb 0.58 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 2kjc n SER 41 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kjc h VAL 42 N -1.06 0.00 0.00 0.44 2.07 -1.97 -3.16 116.25 112.57 2kjc h VAL 42 Ca -0.21 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2kjc h VAL 42 Cb 0.64 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2kjc h VAL 42 CO 0.17 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.99 2kjc h GLY 43 N -1.11 0.00 1.74 2.17 0.00 -1.93 -3.15 103.07 100.78 2kjc h GLY 43 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 2kjc h GLY 43 CO 0.12 0.00 -0.81 0.84 0.00 0.00 0.00 176.54 176.70 2kjc h HIS 44 N 0.00 0.34 0.00 5.60 6.17 -1.95 -3.15 115.15 122.16 2kjc h HIS 44 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.91 2kjc h HIS 44 Cb 0.51 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.40 2kjc h HIS 44 CO 0.00 0.95 0.00 -0.84 0.71 0.00 0.00 177.93 178.75 2kjc h ILE 45 N 0.15 0.00 0.00 6.26 3.07 -1.51 -3.14 117.51 122.34 2kjc h ILE 45 Ca -0.04 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2kjc h ILE 45 Cb 1.40 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 2kjc h ILE 45 CO 0.13 0.00 0.19 0.28 -1.05 0.00 0.00 178.15 177.69 2kjc h SER 46 N 0.00 0.00 1.67 2.16 0.02 -1.64 0.77 113.55 116.52 2kjc h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kjc h SER 46 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2kjc h SER 46 CO 0.00 0.00 -0.10 -0.74 -1.14 0.00 0.00 176.83 174.85 2kjc h HIS 47 N 0.00 0.00 0.00 3.45 -0.00 -1.76 -3.36 115.15 113.48 2kjc h HIS 47 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2kjc h HIS 47 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2kjc h HIS 47 CO 0.00 0.00 -0.12 1.96 -0.00 0.00 0.00 177.93 179.77 2kjc h GLN 48 N 0.00 0.00 0.00 5.26 1.08 0.33 -3.48 115.11 118.30 2kjc h GLN 48 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kjc h GLN 48 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2kjc h GLN 48 CO 0.00 0.18 0.00 -0.11 -0.95 0.00 0.00 178.83 177.95 2kjc n LEU 49 N -4.72 0.00 0.00 1.46 7.94 -1.19 -5.13 117.00 115.36 2kjc n LEU 49 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2kjc n LEU 49 Cb 0.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2kjc n LEU 49 CO 0.07 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 176.94 2kjc n ASN 50 N 0.00 0.00 0.00 1.96 3.02 -1.25 -5.03 115.26 113.96 2kjc n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kjc n ASN 50 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2kjc n ASN 50 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2kjc n LEU 51 N 0.00 0.00 0.00 3.41 0.00 -1.26 -4.91 117.00 114.24 2kjc n LEU 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2kjc n LEU 51 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.51 2kjc n LEU 51 CO 0.00 -0.09 0.00 -0.24 0.00 0.00 0.00 177.39 177.06 2kjc n SER 52 N -1.19 0.70 -0.04 1.96 2.88 -1.26 -4.59 113.62 112.09 2kjc n SER 52 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2kjc n SER 52 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2kjc n SER 52 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kjc h GLN 53 N 0.00 -0.04 -0.72 -1.46 4.20 -1.97 -2.75 115.11 112.37 2kjc h GLN 53 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2kjc h GLN 53 Cb 0.00 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 27.65 2kjc h GLN 53 CO 0.00 0.57 -0.21 1.03 -0.67 0.00 0.00 178.83 179.55 2kjc h SER 54 N -0.96 -0.75 -0.01 1.46 0.87 -1.99 0.86 113.55 113.03 2kjc h SER 54 Ca -0.00 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2kjc h SER 54 Cb 0.62 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2kjc h SER 54 CO 0.01 -0.25 -0.03 -1.13 -0.53 0.00 0.00 176.83 174.89 2kjc h ASN 55 N -0.02 0.05 -0.12 6.23 -0.73 -1.99 -3.22 115.58 115.77 2kjc h ASN 55 Ca 0.34 -0.64 -0.04 0.00 1.87 0.00 0.00 56.30 57.82 2kjc h ASN 55 Cb 0.54 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 2kjc h ASN 55 CO -0.75 0.68 -0.03 0.58 -0.37 0.00 0.00 177.43 177.54 2kjc h VAL 56 N -0.58 1.17 -0.54 2.57 2.07 -1.12 -2.82 116.25 116.99 2kjc h VAL 56 Ca -0.00 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2kjc h VAL 56 Cb 0.67 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2kjc h VAL 56 CO 0.01 0.23 0.35 0.77 0.02 0.00 0.00 177.57 178.95 2kjc h SER 57 N 0.36 0.60 0.64 0.57 4.64 0.68 -1.34 113.55 119.70 2kjc h SER 57 Ca 0.08 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2kjc h SER 57 Cb 0.29 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2kjc h SER 57 CO 0.01 0.43 -0.23 0.45 -0.87 0.00 0.00 176.83 176.63 2kjc h HIS 58 N 0.71 0.00 0.00 4.77 3.86 -1.51 -3.04 115.15 119.94 2kjc h HIS 58 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2kjc h HIS 58 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2kjc h HIS 58 CO -0.04 0.23 -0.00 1.96 0.86 0.00 0.00 177.93 180.93 2kjc h GLN 59 N 0.00 0.00 -0.65 2.45 1.08 -1.24 -3.16 115.11 113.58 2kjc h GLN 59 Ca -0.00 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.39 2kjc h GLN 59 Cb 0.61 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 2kjc h GLN 59 CO 0.03 0.00 0.85 -0.07 -0.95 0.00 0.00 178.83 178.69 2kjc h LEU 60 N -0.07 0.00 -0.13 1.46 3.38 -1.40 0.86 115.31 119.41 2kjc h LEU 60 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2kjc h LEU 60 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kjc h LEU 60 CO 0.00 0.00 -0.43 0.50 0.09 0.00 0.00 178.44 178.60 2kjc h LYS 61 N 0.00 0.52 0.03 1.13 3.64 -1.65 -2.64 116.57 117.61 2kjc h LYS 61 Ca 0.31 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kjc h LYS 61 Cb 2.01 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 2kjc h LYS 61 CO -0.00 1.01 -0.02 1.25 -2.27 0.00 0.00 179.45 179.42 2kjc h LEU 62 N 0.14 -0.04 -2.38 5.20 5.85 0.76 -2.76 115.31 122.08 2kjc h LEU 62 Ca -0.02 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2kjc h LEU 62 Cb 1.06 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kjc h LEU 62 CO 0.09 0.18 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.28 2kjc h LEU 63 N -0.25 0.00 -0.80 2.25 3.38 -1.48 -2.15 115.31 116.26 2kjc h LEU 63 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2kjc h LEU 63 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2kjc h LEU 63 CO 0.01 0.02 0.35 0.50 0.09 0.00 0.00 178.44 179.41 2kjc h LYS 64 N 0.00 1.18 0.00 1.13 3.64 -1.16 -2.06 116.57 119.30 2kjc h LYS 64 Ca -0.00 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2kjc h LYS 64 Cb 0.07 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2kjc h LYS 64 CO 0.00 0.93 -0.14 0.77 -2.27 0.00 0.00 179.45 178.75 2kjc h SER 65 N 1.15 0.00 0.07 4.20 0.02 -1.40 -2.45 113.55 115.14 2kjc h SER 65 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2kjc h SER 65 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2kjc h SER 65 CO -0.03 0.14 0.00 0.52 -1.14 0.00 0.00 176.83 176.32 2kjc n VAL 66 N -3.29 0.05 -0.68 2.27 0.31 -0.80 -4.82 118.33 111.38 2kjc n VAL 66 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2kjc n VAL 66 Cb 0.38 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 2kjc n VAL 66 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kjc n HIS 67 N -1.05 0.00 -4.23 3.52 -0.00 -0.92 -5.04 115.22 107.49 2kjc n HIS 67 Ca 0.17 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.10 2kjc n HIS 67 Cb 0.10 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.90 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kjc s LEU 68 N 0.00 3.31 0.30 0.27 1.43 -1.09 -5.00 118.68 117.90 2kjc s LEU 68 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2kjc s LEU 68 Cb 0.00 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2kjc s LEU 68 CO 0.00 0.04 0.00 0.52 0.23 0.00 0.00 176.35 177.14 2kjc n VAL 69 N -0.56 -4.23 -3.88 -1.59 0.31 -1.26 -3.21 118.33 103.92 2kjc n VAL 69 Ca -0.08 1.80 -0.11 0.00 -0.01 0.00 0.00 64.34 65.94 2kjc n VAL 69 Cb 0.57 -2.60 -0.10 0.00 -0.91 0.00 0.00 33.84 30.80 2kjc n VAL 69 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2kjc s LYS 70 N -3.26 0.44 -0.24 5.55 2.20 -1.26 -4.58 119.74 118.59 2kjc s LYS 70 Ca 0.00 -0.37 -0.09 0.00 -0.36 0.00 0.00 55.97 55.15 2kjc s LYS 70 Cb 0.00 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 2kjc s LYS 70 CO 0.00 -0.10 0.12 0.00 -0.36 0.00 0.00 175.35 175.01 2kjc s ALA 71 N -1.28 3.40 -0.16 3.13 0.00 -1.26 -2.82 121.76 122.77 2kjc s ALA 71 Ca -0.14 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 2kjc s ALA 71 Cb -0.07 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2kjc s ALA 71 CO 0.01 -0.31 0.30 0.15 0.00 0.00 0.00 175.76 175.91 2kjc s LYS 72 N 1.30 4.25 -0.57 0.00 1.02 -0.76 -5.00 119.74 119.99 2kjc s LYS 72 Ca 0.06 0.10 -0.25 0.00 0.02 0.00 0.00 55.97 55.91 2kjc s LYS 72 Cb -0.15 -3.44 0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2kjc s LYS 72 CO 0.05 0.21 0.99 0.50 -0.92 0.00 0.00 175.35 176.18 2kjc s ARG 73 N 0.54 3.33 -0.54 1.68 3.52 -1.26 -3.42 118.95 122.80 2kjc s ARG 73 Ca 0.17 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 2kjc s ARG 73 Cb -0.13 -4.07 0.16 0.00 -1.56 0.00 0.00 34.95 29.35 2kjc s ARG 73 CO 0.04 -1.56 0.37 -0.65 -0.81 0.00 0.00 175.30 172.69 2kjc s GLN 74 N 4.14 1.68 1.89 5.12 -1.52 -1.21 -5.08 119.66 124.68 2kjc s GLN 74 Ca 0.31 -2.59 0.00 0.00 -1.95 0.00 0.00 55.36 51.13 2kjc s GLN 74 Cb -0.12 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 2kjc s GLN 74 CO 0.19 -1.27 0.00 0.41 -0.25 0.00 0.00 175.29 174.37 2kjc n GLY 75 N 2.72 -0.99 0.19 3.09 0.00 -1.26 -2.88 105.19 106.06 2kjc n GLY 75 Ca 0.19 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.21 2kjc n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kjc h GLN 76 N 0.00 0.00 -5.36 1.61 1.08 -2.02 -3.38 115.11 107.04 2kjc h GLN 76 Ca 0.00 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.57 2kjc h GLN 76 Cb 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.29 2kjc h GLN 76 CO 0.00 0.00 0.03 0.45 -0.95 0.00 0.00 178.83 178.36 2kjc s SER 77 N -3.90 6.39 -0.05 1.46 0.15 -1.14 -5.06 113.70 111.55 2kjc s SER 77 Ca -0.02 0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.79 2kjc s SER 77 Cb 0.06 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2kjc s SER 77 CO 0.19 -0.46 0.16 0.00 1.20 0.00 0.00 173.24 174.32 2kjc s MET 78 N 2.48 3.42 0.08 5.44 0.23 -1.26 -3.29 119.30 126.40 2kjc s MET 78 Ca 0.21 -0.26 -0.01 0.00 -1.03 0.00 0.00 55.69 54.61 2kjc s MET 78 Cb -0.15 -3.12 -0.04 0.00 -1.53 0.00 0.00 34.83 29.99 2kjc s MET 78 CO 0.13 0.71 0.00 0.96 -2.03 0.00 0.00 175.02 174.79 2kjc s ILE 79 N -1.20 0.19 0.12 3.16 -4.36 -1.22 -4.78 121.20 113.11 2kjc s ILE 79 Ca 0.22 -1.85 0.08 0.00 -0.26 0.00 0.00 60.65 58.84 2kjc s ILE 79 Cb -0.12 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2kjc s ILE 79 CO 0.13 -0.79 -0.20 -0.31 0.24 0.00 0.00 174.94 174.01 2kjc s TYR 80 N -3.96 1.78 -0.30 1.37 1.51 -1.26 -1.82 117.35 114.67 2kjc s TYR 80 Ca 0.14 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.62 2kjc s TYR 80 Cb 0.08 -0.95 0.18 0.00 -0.11 0.00 0.00 41.96 41.15 2kjc s TYR 80 CO -0.05 0.24 1.09 -1.54 -1.11 0.00 0.00 175.55 174.17 2kjc s SER 81 N -2.11 -0.38 0.00 2.29 1.04 -1.13 -4.17 113.70 109.24 2kjc s SER 81 Ca 0.09 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2kjc s SER 81 Cb -0.09 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2kjc s SER 81 CO 0.05 -0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.20 2kjc n LEU 82 N 5.42 0.00 -3.10 2.42 -0.00 -1.26 -4.39 117.00 116.09 2kjc n LEU 82 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.90 2kjc n LEU 82 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 2kjc n LEU 82 CO -0.11 0.00 -0.47 -0.67 -0.00 0.00 0.00 177.39 176.14 2kjc n ASP 83 N 0.00 -6.85 -1.66 1.45 2.03 -1.26 -4.87 116.55 105.39 2kjc n ASP 83 Ca 0.00 0.60 0.08 0.00 0.52 0.00 0.00 54.79 55.98 2kjc n ASP 83 Cb 0.00 -2.52 0.37 0.00 -0.72 0.00 0.00 41.12 38.25 2kjc n ASP 83 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kjc n ASP 84 N 1.01 5.24 -2.97 1.67 9.92 -1.26 -4.91 116.55 125.25 2kjc n ASP 84 Ca -0.00 -2.86 -0.16 0.00 -0.53 0.00 0.00 54.79 51.24 2kjc n ASP 84 Cb 0.40 -0.64 0.07 0.00 -0.64 0.00 0.00 41.12 40.31 2kjc n ASP 84 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kjc n ILE 85 N 0.51 -3.65 0.00 0.53 2.08 -1.26 -4.78 119.36 112.80 2kjc n ILE 85 Ca 0.26 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.37 2kjc n ILE 85 Cb 1.09 -4.02 0.00 0.00 -0.75 0.00 0.00 39.64 35.96 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 -4.00 0.00 0.03 1.39 8.25 -1.26 -4.90 115.22 114.73 2kjc n HIS 86 Ca -0.12 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.17 2kjc n HIS 86 Cb 0.59 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.56 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 0.91 -0.39 1.59 2.07 -1.95 -3.18 116.25 115.31 2kjc h VAL 87 Ca 0.00 -2.60 -0.09 0.00 0.82 0.00 0.00 66.70 64.83 2kjc h VAL 87 Cb 0.00 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2kjc h VAL 87 CO 0.00 0.80 -0.13 0.00 0.02 0.00 0.00 177.57 178.26 2kjc h ALA 88 N 0.39 0.54 0.86 1.67 0.00 -1.96 -2.38 119.26 118.38 2kjc h ALA 88 Ca -0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 2kjc h ALA 88 Cb 2.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.69 2kjc h ALA 88 CO 0.13 0.43 -0.44 1.79 0.00 0.00 0.00 179.25 181.16 2kjc h THR 89 N 0.57 0.10 -0.89 0.00 1.35 -1.91 0.24 112.91 112.38 2kjc h THR 89 Ca 0.09 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.19 2kjc h THR 89 Cb 0.66 0.10 -0.14 0.00 -1.73 0.00 0.00 68.15 67.04 2kjc h THR 89 CO 0.05 0.00 0.30 -0.03 -0.25 0.00 0.00 175.52 175.58 2kjc h MET 90 N -1.20 0.26 -0.45 4.72 -1.53 -1.58 1.17 114.93 116.31 2kjc h MET 90 Ca -0.12 -0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.08 2kjc h MET 90 Cb 0.93 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.90 2kjc h MET 90 CO 0.18 0.17 0.09 1.25 0.14 0.00 0.00 176.91 178.73 2kjc h LEU 91 N 0.26 0.63 0.33 3.39 5.85 -1.02 -2.92 115.31 121.84 2kjc h LEU 91 Ca 0.56 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 2kjc h LEU 91 Cb 1.13 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2kjc h LEU 91 CO -0.62 0.65 -0.16 0.50 -0.34 0.00 0.00 178.44 178.47 2kjc h LYS 92 N 0.66 -0.43 0.00 1.25 3.64 0.33 -3.04 116.57 118.99 2kjc h LYS 92 Ca 0.15 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2kjc h LYS 92 Cb 0.28 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2kjc h LYS 92 CO 0.00 -0.29 0.82 1.96 -2.27 0.00 0.00 179.45 179.67 2kjc h GLN 93 N -0.76 0.00 0.06 1.90 7.50 -0.66 0.58 115.11 123.72 2kjc h GLN 93 Ca -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 2kjc h GLN 93 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.87 2kjc h GLN 93 CO 0.08 0.00 -0.03 0.00 -1.50 0.00 0.00 178.83 177.38 2kjc h ALA 94 N 0.25 -0.08 -0.12 3.87 0.00 -1.39 -3.07 119.26 118.72 2kjc h ALA 94 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2kjc h ALA 94 Cb 1.64 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2kjc h ALA 94 CO 0.00 -0.14 0.36 0.82 0.00 0.00 0.00 179.25 180.29 2kjc h ILE 95 N -0.89 0.12 0.02 0.00 1.08 0.18 -0.41 117.51 117.61 2kjc h ILE 95 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2kjc h ILE 95 Cb 0.62 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2kjc h ILE 95 CO 0.01 0.00 -0.01 0.45 -0.69 0.00 0.00 178.15 177.92 2kjc h HIS 96 N 0.00 -0.02 -0.32 1.37 3.86 -1.49 -2.99 115.15 115.56 2kjc h HIS 96 Ca 0.06 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2kjc h HIS 96 Cb 0.78 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 2kjc h HIS 96 CO 0.00 0.71 0.08 1.25 0.86 0.00 0.00 177.93 180.84 2kjc h HIS 97 N -0.80 0.46 0.65 2.45 -0.00 -1.03 -2.87 115.15 114.01 2kjc h HIS 97 Ca -0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 2kjc h HIS 97 Cb 0.74 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 2kjc h HIS 97 CO 0.19 0.40 -0.46 0.00 -0.00 0.00 0.00 177.93 178.06 2kjc h ALA 98 N 1.64 -1.13 -1.86 5.26 0.00 -1.30 -3.34 119.26 118.53 2kjc h ALA 98 Ca 0.11 -0.21 -0.68 0.00 0.00 0.00 0.00 54.91 54.13 2kjc h ALA 98 Cb 0.17 0.61 -0.17 0.00 0.00 0.00 0.00 17.79 18.39 2kjc h ALA 98 CO -0.00 -1.16 0.46 -0.80 0.00 0.00 0.00 179.25 177.74 2kjc s ASN 99 N -4.29 6.32 -0.44 0.00 0.01 -1.08 -4.80 114.94 110.65 2kjc s ASN 99 Ca -0.18 -1.48 0.07 0.00 -0.71 0.00 0.00 52.86 50.56 2kjc s ASN 99 Cb 0.04 -2.37 0.34 0.00 0.41 0.00 0.00 41.25 39.67 2kjc s ASN 99 CO 0.61 -1.20 1.18 1.57 -1.51 0.00 0.00 177.10 177.75 2kjc n HIS 100 N 6.81 -2.74 0.00 2.20 -0.00 -1.26 -4.81 115.22 115.42 2kjc n HIS 100 Ca 0.02 -2.09 -0.17 0.00 0.46 0.00 0.00 57.72 55.94 2kjc n HIS 100 Cb 0.45 1.61 -0.11 0.00 -0.12 0.00 0.00 29.99 31.83 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kjc h PRO 101 N 2.73 0.43 0.00 1.57 0.13 -1.93 -3.49 132.00 131.44 2kjc h PRO 101 Ca -0.15 -0.45 0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2kjc h PRO 101 Cb 1.15 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2kjc h PRO 101 CO 0.08 1.11 0.42 0.36 -0.23 0.00 0.00 178.00 179.75 2kjc n LYS 102 N -4.20 0.91 0.00 0.86 2.85 -1.26 -5.31 118.16 112.01 2kjc n LYS 102 Ca -0.10 -1.89 0.00 0.00 -1.05 0.00 0.00 58.31 55.27 2kjc n LYS 102 Cb 0.68 2.43 0.00 0.00 -0.65 0.00 0.00 35.03 37.49 2kjc n LYS 102 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50