#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 0.97 0.00 3.41 1.03 -2.06 -3.23 112.91 113.03 2kjc h THR 10 Ca 0.00 -2.63 -0.01 0.00 -0.01 0.00 0.00 66.41 63.76 2kjc h THR 10 Cb 0.00 2.69 -0.00 0.00 -1.07 0.00 0.00 68.15 69.77 2kjc h THR 10 CO 0.00 0.82 -0.07 -2.24 -0.01 0.00 0.00 175.52 174.02 2kjc h ASP 11 N 0.08 0.00 0.15 0.00 3.04 -2.06 -3.15 116.42 114.47 2kjc h ASP 11 Ca -0.31 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.48 2kjc h ASP 11 Cb 2.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.34 2kjc h ASP 11 CO 0.15 0.07 -0.07 0.74 -2.04 0.00 0.00 179.24 178.08 2kjc h THR 12 N 0.00 0.30 -1.31 1.15 2.02 -2.01 -2.95 112.91 110.12 2kjc h THR 12 Ca -0.00 -1.03 0.39 0.00 0.77 0.00 0.00 66.41 66.54 2kjc h THR 12 Cb 0.61 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.47 2kjc h THR 12 CO 0.01 0.09 0.89 0.25 0.37 0.00 0.00 175.52 177.13 2kjc h LEU 13 N -1.02 0.21 -0.03 2.58 7.12 -1.58 0.39 115.31 122.97 2kjc h LEU 13 Ca -0.02 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 2kjc h LEU 13 Cb 0.30 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2kjc h LEU 13 CO 0.03 -0.05 -0.03 -0.33 -0.13 0.00 0.00 178.44 177.93 2kjc h GLU 14 N 0.13 0.07 0.73 1.25 5.08 -1.60 -3.30 114.58 116.94 2kjc h GLU 14 Ca 0.73 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 59.01 2kjc h GLU 14 Cb 2.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.67 2kjc h GLU 14 CO -0.24 0.55 -0.35 0.00 -1.00 0.00 0.00 179.01 177.97 2kjc h ARG 15 N -0.41 -0.94 0.00 2.33 3.08 -0.11 -2.59 114.38 115.74 2kjc h ARG 15 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2kjc h ARG 15 Cb 0.54 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2kjc h ARG 15 CO 0.01 -0.60 0.45 1.33 -1.07 0.00 0.00 179.97 180.09 2kjc n VAL 16 N -5.47 0.41 0.03 2.04 0.24 -0.36 0.13 118.33 115.35 2kjc n VAL 16 Ca -0.14 0.63 -0.20 0.00 -2.04 0.00 0.00 64.34 62.60 2kjc n VAL 16 Cb 0.40 -1.63 -0.14 0.00 -1.47 0.00 0.00 33.84 31.00 2kjc n VAL 16 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2kjc h THR 17 N 0.00 0.79 0.00 3.34 2.02 -1.53 -3.38 112.91 114.15 2kjc h THR 17 Ca 0.00 -2.48 -0.11 0.00 0.77 0.00 0.00 66.41 64.59 2kjc h THR 17 Cb 0.91 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 2kjc h THR 17 CO 0.00 0.84 -0.52 -0.33 0.37 0.00 0.00 175.52 175.88 2kjc h GLU 18 N 0.07 0.00 -0.90 6.66 5.08 0.10 -3.24 114.58 122.36 2kjc h GLU 18 Ca -0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2kjc h GLU 18 Cb 2.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.25 2kjc h GLU 18 CO 0.12 0.52 0.55 0.97 -1.00 0.00 0.00 179.01 180.17 2kjc h ILE 19 N 0.00 1.25 0.47 3.13 6.09 -1.63 -2.25 117.51 124.57 2kjc h ILE 19 Ca -0.01 -0.52 -0.02 0.00 -1.37 0.00 0.00 64.86 62.94 2kjc h ILE 19 Cb 1.24 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.51 2kjc h ILE 19 CO 0.07 0.25 -0.23 -0.26 -3.07 0.00 0.00 178.15 174.91 2kjc h PHE 20 N 1.23 -0.59 0.00 2.19 0.04 -1.74 -2.75 116.94 115.33 2kjc h PHE 20 Ca 0.32 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2kjc h PHE 20 Cb -0.07 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2kjc h PHE 20 CO 0.00 -0.37 0.31 1.63 -0.60 0.00 0.00 178.31 179.29 2kjc n LYS 21 N -4.18 0.03 -0.30 1.51 5.02 -1.20 -1.61 118.16 117.43 2kjc n LYS 21 Ca -0.08 0.36 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 2kjc n LYS 21 Cb 0.25 -1.90 0.32 0.00 -0.02 0.00 0.00 35.03 33.68 2kjc n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kjc h ALA 22 N 0.95 1.70 -3.00 7.82 0.00 -1.09 -3.26 119.26 122.38 2kjc h ALA 22 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kjc h ALA 22 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kjc h ALA 22 CO 0.00 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2kjc n LEU 23 N -4.58 1.42 0.00 0.00 4.32 -0.63 -4.96 117.00 112.57 2kjc n LEU 23 Ca 0.18 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 2kjc n LEU 23 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2kjc n LEU 23 CO 0.29 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.07 2kjc n GLY 24 N 1.12 1.82 3.57 -0.72 0.00 -1.23 -4.85 105.19 104.90 2kjc n GLY 24 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2kjc n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kjc n ASP 25 N 7.54 -0.68 0.09 1.61 5.68 -1.26 -4.95 116.55 124.59 2kjc n ASP 25 Ca 0.00 0.17 0.05 0.00 -0.50 0.00 0.00 54.79 54.51 2kjc n ASP 25 Cb 0.00 -1.36 -0.01 0.00 -1.14 0.00 0.00 41.12 38.60 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2kjc h TYR 26 N -2.20 0.00 -0.28 2.11 -0.00 -2.01 -3.37 116.97 111.22 2kjc h TYR 26 Ca -0.51 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.06 2kjc h TYR 26 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.03 2kjc h TYR 26 CO 0.39 0.33 -0.45 -2.95 -0.00 0.00 0.00 178.16 175.48 2kjc h ASN 27 N 0.00 0.88 -0.11 0.10 -0.00 -1.98 -3.00 115.58 111.48 2kjc h ASN 27 Ca -0.07 -0.52 -0.02 0.00 -0.00 0.00 0.00 56.30 55.69 2kjc h ASN 27 Cb 1.32 -0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 39.38 2kjc h ASN 27 CO 0.03 1.23 0.00 0.03 -0.00 0.00 0.00 177.43 178.73 2kjc h ARG 28 N 0.56 0.19 0.00 4.14 3.08 -1.93 -2.49 114.38 117.94 2kjc h ARG 28 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2kjc h ARG 28 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2kjc h ARG 28 CO 0.10 0.43 0.00 0.97 -1.07 0.00 0.00 179.97 180.41 2kjc h ILE 29 N -0.07 0.00 -0.02 2.04 2.10 -1.71 0.15 117.51 119.99 2kjc h ILE 29 Ca 0.03 -0.04 -0.12 0.00 1.08 0.00 0.00 64.86 65.82 2kjc h ILE 29 Cb 0.34 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 2kjc h ILE 29 CO 0.01 0.00 -0.53 -0.09 -1.08 0.00 0.00 178.15 176.45 2kjc h ARG 30 N 0.00 0.07 0.00 2.19 2.43 -1.29 -2.39 114.38 115.39 2kjc h ARG 30 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2kjc h ARG 30 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2kjc h ARG 30 CO 0.00 0.58 -0.35 0.82 -1.51 0.00 0.00 179.97 179.51 2kjc h ILE 31 N 0.05 1.17 -0.05 1.20 2.04 -0.66 -2.24 117.51 119.03 2kjc h ILE 31 Ca -0.00 -1.22 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 2kjc h ILE 31 Cb 0.96 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2kjc h ILE 31 CO 0.07 0.34 -0.48 0.24 0.00 0.00 0.00 178.15 178.33 2kjc h MET 32 N 0.00 0.12 0.45 2.37 2.86 -1.39 -2.65 114.93 116.69 2kjc h MET 32 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2kjc h MET 32 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2kjc h MET 32 CO 0.05 0.58 -0.27 1.49 1.06 0.00 0.00 176.91 179.81 2kjc h GLU 33 N 0.10 -0.64 -0.33 1.72 4.81 -1.26 0.31 114.58 119.28 2kjc h GLU 33 Ca 0.00 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2kjc h GLU 33 Cb 0.88 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 2kjc h GLU 33 CO 0.07 -0.43 -0.33 1.25 -0.73 0.00 0.00 179.01 178.84 2kjc h LEU 34 N -0.67 -1.07 -0.67 1.64 7.12 -1.60 -0.07 115.31 119.99 2kjc h LEU 34 Ca -0.06 0.18 0.15 0.00 0.13 0.00 0.00 57.88 58.27 2kjc h LEU 34 Cb 0.53 0.49 -0.11 0.00 -0.53 0.00 0.00 40.66 41.04 2kjc h LEU 34 CO 0.07 -0.33 0.02 0.25 -0.13 0.00 0.00 178.44 178.32 2kjc h LEU 35 N -0.29 -0.26 -1.01 2.25 7.12 -1.37 0.15 115.31 121.91 2kjc h LEU 35 Ca 0.15 0.16 0.34 0.00 0.13 0.00 0.00 57.88 58.67 2kjc h LEU 35 Cb 0.54 0.28 -0.15 0.00 -0.53 0.00 0.00 40.66 40.80 2kjc h LEU 35 CO -0.49 -0.12 0.57 -1.28 -0.13 0.00 0.00 178.44 176.98 2kjc h SER 36 N 0.13 0.47 0.61 1.25 0.87 0.16 -0.58 113.55 116.47 2kjc h SER 36 Ca 0.36 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 61.10 2kjc h SER 36 Cb 0.61 0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2kjc h SER 36 CO -0.57 -0.20 -0.29 0.58 -0.53 0.00 0.00 176.83 175.82 2kjc h VAL 37 N 0.26 0.00 -3.27 2.23 2.07 -0.58 -3.47 116.25 113.49 2kjc h VAL 37 Ca 0.76 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 68.12 2kjc h VAL 37 Cb 1.81 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.39 2kjc h VAL 37 CO -0.64 0.00 -0.30 -0.55 0.02 0.00 0.00 177.57 176.10 2kjc s SER 38 N -3.39 -0.10 0.92 0.57 0.15 -0.22 -5.15 113.70 106.47 2kjc s SER 38 Ca -0.12 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.26 2kjc s SER 38 Cb 0.01 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2kjc s SER 38 CO 0.36 -0.53 0.21 -0.62 1.20 0.00 0.00 173.24 173.87 2kjc n GLU 39 N 0.91 -0.16 -3.64 5.44 1.02 -1.26 -4.37 120.64 118.59 2kjc n GLU 39 Ca -0.20 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 56.78 2kjc n GLU 39 Cb 0.58 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.26 -1.52 0.48 0.62 0.00 -1.26 -5.00 121.76 112.82 2kjc s ALA 40 Ca 0.55 1.50 0.05 0.00 0.00 0.00 0.00 51.96 54.07 2kjc s ALA 40 Cb -0.23 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.26 2kjc s ALA 40 CO 0.69 -0.31 0.66 -1.54 0.00 0.00 0.00 175.76 175.25 2kjc s SER 41 N -0.22 5.49 0.24 0.00 1.04 -1.26 -4.55 113.70 114.43 2kjc s SER 41 Ca -0.04 -0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.01 2kjc s SER 41 Cb -0.03 -0.71 0.35 0.00 0.10 0.00 0.00 66.02 65.72 2kjc s SER 41 CO 0.04 -0.93 1.62 0.58 0.98 0.00 0.00 173.24 175.52 2kjc h VAL 42 N 0.40 0.29 -0.55 5.02 2.07 -2.00 -1.09 116.25 120.39 2kjc h VAL 42 Ca -0.41 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2kjc h VAL 42 Cb 1.29 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2kjc h VAL 42 CO 0.48 0.01 0.35 1.23 0.02 0.00 0.00 177.57 179.65 2kjc h GLY 43 N 0.03 0.77 1.41 2.17 0.00 -1.99 -3.00 103.07 102.47 2kjc h GLY 43 Ca 0.38 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 2kjc h GLY 43 CO -0.73 0.26 -0.30 0.84 0.00 0.00 0.00 176.54 176.61 2kjc h HIS 44 N 0.72 0.77 0.00 5.60 6.17 -1.60 -2.91 115.15 123.89 2kjc h HIS 44 Ca 0.21 -0.19 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 2kjc h HIS 44 Cb -0.05 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 2kjc h HIS 44 CO -0.04 0.89 -0.17 -0.84 0.71 0.00 0.00 177.93 178.47 2kjc h ILE 45 N 0.57 0.48 -0.95 6.26 3.07 -1.33 -2.98 117.51 122.63 2kjc h ILE 45 Ca 0.07 -0.90 0.20 0.00 1.55 0.00 0.00 64.86 65.78 2kjc h ILE 45 Cb 0.80 1.63 -0.11 0.00 -0.27 0.00 0.00 36.82 38.86 2kjc h ILE 45 CO 0.07 0.17 0.53 -1.28 -1.05 0.00 0.00 178.15 176.59 2kjc h SER 46 N 0.00 0.62 0.00 2.16 0.87 -1.37 0.62 113.55 116.45 2kjc h SER 46 Ca -0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2kjc h SER 46 Cb 0.61 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2kjc h SER 46 CO 0.02 0.16 0.18 1.57 -0.53 0.00 0.00 176.83 178.23 2kjc n HIS 47 N -4.88 0.14 -0.05 2.24 -0.00 -1.12 0.27 115.22 111.82 2kjc n HIS 47 Ca 0.23 0.07 -0.04 0.00 -0.00 0.00 0.00 57.72 57.99 2kjc n HIS 47 Cb 0.61 -0.46 -0.03 0.00 -0.00 0.00 0.00 29.99 30.11 2kjc n HIS 47 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 2kjc h GLN 48 N 0.00 -0.00 0.00 1.57 5.75 0.05 -3.42 115.11 119.06 2kjc h GLN 48 Ca 0.00 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 2kjc h GLN 48 Cb 0.35 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 2kjc h GLN 48 CO 0.00 0.26 -1.86 1.28 -2.65 0.00 0.00 178.83 175.86 2kjc n LEU 49 N -4.74 0.00 -2.35 -2.39 4.77 -0.72 -5.02 117.00 106.56 2kjc n LEU 49 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 2kjc n LEU 49 Cb 0.13 0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2kjc n LEU 49 CO 0.09 0.30 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.21 2kjc n ASN 50 N -2.45 -5.18 -0.38 -1.43 2.85 0.76 -5.01 115.26 104.43 2kjc n ASN 50 Ca -0.20 -0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.08 2kjc n ASN 50 Cb 0.89 -4.08 0.00 0.00 1.24 0.00 0.00 39.78 37.83 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kjc n LEU 51 N -3.11 0.00 -4.74 1.20 4.77 -1.26 -5.06 117.00 108.80 2kjc n LEU 51 Ca -0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 2kjc n LEU 51 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 2kjc n LEU 51 CO 0.35 0.00 0.81 -0.55 -1.33 0.00 0.00 177.39 176.67 2kjc s SER 52 N -1.00 7.23 0.48 -1.43 0.15 -1.26 -4.91 113.70 112.95 2kjc s SER 52 Ca 0.00 2.14 0.32 0.00 0.70 0.00 0.00 55.95 59.11 2kjc s SER 52 Cb 0.00 -2.61 1.45 0.00 -1.71 0.00 0.00 66.02 63.16 2kjc s SER 52 CO 0.00 -0.25 1.96 1.56 1.20 0.00 0.00 173.24 177.71 2kjc h GLN 53 N 4.99 0.00 0.00 5.44 4.20 -1.96 -2.15 115.11 125.63 2kjc h GLN 53 Ca -0.45 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.11 2kjc h GLN 53 Cb 1.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 2kjc h GLN 53 CO 0.72 0.00 -0.71 1.03 -0.67 0.00 0.00 178.83 179.20 2kjc h SER 54 N 0.00 0.00 -0.02 1.46 0.87 -2.00 -2.94 113.55 110.92 2kjc h SER 54 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2kjc h SER 54 Cb 0.33 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2kjc h SER 54 CO 0.00 0.71 -0.57 -1.13 -0.53 0.00 0.00 176.83 175.31 2kjc h ASN 55 N 0.00 0.53 -0.32 6.23 -1.24 -1.78 -2.97 115.58 116.03 2kjc h ASN 55 Ca -0.01 -0.74 -0.13 0.00 0.71 0.00 0.00 56.30 56.13 2kjc h ASN 55 Cb 1.54 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 2kjc h ASN 55 CO 0.09 1.20 -0.27 -0.37 -1.29 0.00 0.00 177.43 176.79 2kjc h VAL 56 N -0.09 1.27 0.42 2.57 -1.51 -1.64 -3.11 116.25 114.17 2kjc h VAL 56 Ca -0.07 -1.41 -0.02 0.00 -1.23 0.00 0.00 66.70 63.97 2kjc h VAL 56 Cb 1.27 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2kjc h VAL 56 CO 0.11 0.47 -0.21 0.77 -1.23 0.00 0.00 177.57 177.48 2kjc h SER 57 N 0.70 -0.52 -1.43 4.19 4.64 -1.60 -2.09 113.55 117.45 2kjc h SER 57 Ca 0.09 0.02 0.46 0.00 -0.47 0.00 0.00 61.79 61.89 2kjc h SER 57 Cb 0.81 0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 62.91 2kjc h SER 57 CO 0.07 -0.35 0.95 -0.74 -0.87 0.00 0.00 176.83 175.88 2kjc h HIS 58 N -0.58 0.42 0.16 4.77 6.17 -1.60 0.43 115.15 124.92 2kjc h HIS 58 Ca -0.06 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 2kjc h HIS 58 Cb 0.45 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.28 2kjc h HIS 58 CO 0.10 -0.18 -0.08 0.37 0.71 0.00 0.00 177.93 178.85 2kjc h GLN 59 N 0.05 -0.21 -1.44 5.26 4.15 -1.41 -2.94 115.11 118.58 2kjc h GLN 59 Ca 0.84 0.01 0.42 0.00 0.77 0.00 0.00 58.65 60.70 2kjc h GLN 59 Cb 2.81 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 30.49 2kjc h GLN 59 CO -0.35 0.14 1.03 1.25 -1.93 0.00 0.00 178.83 178.97 2kjc h LEU 60 N -0.60 0.03 -0.27 -2.39 5.85 0.54 0.68 115.31 119.15 2kjc h LEU 60 Ca -0.02 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2kjc h LEU 60 Cb 0.45 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kjc h LEU 60 CO 0.04 -0.00 -0.52 0.11 -0.34 0.00 0.00 178.44 177.72 2kjc h LYS 61 N 0.02 0.83 -0.69 1.25 1.57 -1.32 -3.01 116.57 115.22 2kjc h LYS 61 Ca 0.70 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2kjc h LYS 61 Cb 2.73 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 35.08 2kjc h LYS 61 CO -0.04 1.16 0.45 -0.07 -0.57 0.00 0.00 179.45 180.39 2kjc h LEU 62 N 0.60 0.80 -1.64 2.94 3.38 0.40 -1.77 115.31 120.02 2kjc h LEU 62 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2kjc h LEU 62 Cb 1.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2kjc h LEU 62 CO 0.12 0.59 -0.16 -0.07 0.09 0.00 0.00 178.44 179.00 2kjc h LEU 63 N 0.93 0.00 -1.83 1.67 3.38 -1.51 -2.02 115.31 115.94 2kjc h LEU 63 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2kjc h LEU 63 Cb -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2kjc h LEU 63 CO -0.05 0.16 -0.03 0.50 0.09 0.00 0.00 178.44 179.11 2kjc h LYS 64 N 0.00 0.00 0.67 1.13 3.64 -1.17 -3.08 116.57 117.75 2kjc h LYS 64 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kjc h LYS 64 Cb 0.48 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2kjc h LYS 64 CO 0.02 0.03 -0.32 0.77 -2.27 0.00 0.00 179.45 177.67 2kjc h SER 65 N 0.00 -0.76 0.00 4.20 0.02 -1.34 -2.19 113.55 113.48 2kjc h SER 65 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kjc h SER 65 Cb 0.40 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2kjc h SER 65 CO 0.00 -0.44 0.00 1.33 -1.14 0.00 0.00 176.83 176.58 2kjc n VAL 66 N -5.42 0.00 -1.35 2.27 0.24 -1.19 -4.76 118.33 108.12 2kjc n VAL 66 Ca -0.13 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2kjc n VAL 66 Cb 0.38 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.39 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2kjc n HIS 67 N -0.53 -0.25 0.28 6.34 -0.00 -0.83 -4.75 115.22 115.48 2kjc n HIS 67 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.82 2kjc n HIS 67 Cb 0.00 -2.65 0.43 0.00 -0.00 0.00 0.00 29.99 27.77 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2kjc n LEU 68 N -1.77 0.45 -4.02 2.41 7.94 -1.17 -4.76 117.00 116.08 2kjc n LEU 68 Ca -0.13 0.65 -0.13 0.00 -1.11 0.00 0.00 56.01 55.29 2kjc n LEU 68 Cb 0.48 -0.64 -0.02 0.00 0.53 0.00 0.00 43.42 43.76 2kjc n LEU 68 CO 0.20 -0.64 0.25 0.68 -1.11 0.00 0.00 177.39 176.77 2kjc s VAL 69 N -3.31 0.00 0.27 1.96 -7.23 -1.26 -4.91 120.40 105.93 2kjc s VAL 69 Ca 0.02 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2kjc s VAL 69 Cb 0.07 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2kjc s VAL 69 CO 0.25 0.00 0.30 -0.54 -0.31 0.00 0.00 175.10 174.80 2kjc s LYS 70 N -2.79 1.55 0.13 4.82 1.02 -1.26 -4.75 119.74 118.45 2kjc s LYS 70 Ca 0.27 -1.68 -0.17 0.00 0.02 0.00 0.00 55.97 54.40 2kjc s LYS 70 Cb -0.02 0.36 0.04 0.00 -0.52 0.00 0.00 37.83 37.69 2kjc s LYS 70 CO 0.19 -0.58 0.44 0.00 -0.92 0.00 0.00 175.35 174.47 2kjc s ALA 71 N -3.73 -1.05 0.12 5.17 0.00 -1.26 -4.20 121.76 116.81 2kjc s ALA 71 Ca 0.35 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 2kjc s ALA 71 Cb 0.03 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2kjc s ALA 71 CO 0.17 -0.66 0.26 0.15 0.00 0.00 0.00 175.76 175.68 2kjc s LYS 72 N -3.74 0.97 0.04 0.00 1.02 -1.14 -5.05 119.74 111.83 2kjc s LYS 72 Ca 0.02 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 2kjc s LYS 72 Cb 0.01 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.65 2kjc s LYS 72 CO -0.12 -0.34 0.29 0.50 -0.92 0.00 0.00 175.35 174.76 2kjc s ARG 73 N -3.88 3.58 -0.46 1.68 3.52 -1.26 -3.27 118.95 118.86 2kjc s ARG 73 Ca 0.07 -0.11 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 2kjc s ARG 73 Cb 0.04 -3.03 0.19 0.00 -1.56 0.00 0.00 34.95 30.59 2kjc s ARG 73 CO -0.08 0.61 0.58 0.94 -0.81 0.00 0.00 175.30 176.53 2kjc n GLN 74 N 0.82 0.45 -1.63 5.12 7.27 -0.54 -4.91 117.38 123.96 2kjc n GLN 74 Ca -0.09 -2.55 0.00 0.00 0.07 0.00 0.00 57.00 54.43 2kjc n GLN 74 Cb 0.52 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.65 2kjc n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kjc n GLY 75 N 2.61 0.00 3.00 1.69 0.00 -1.26 -3.08 105.19 108.14 2kjc n GLY 75 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kjc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kjc n GLN 76 N 1.88 0.00 -4.29 1.61 -0.06 -1.26 -4.92 117.38 110.34 2kjc n GLN 76 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 2kjc n GLN 76 Cb 0.00 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.07 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2kjc s SER 77 N 0.00 4.03 -0.43 1.69 1.04 -1.18 -5.10 113.70 113.75 2kjc s SER 77 Ca 0.00 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 2kjc s SER 77 Cb 0.00 -0.62 0.11 0.00 0.10 0.00 0.00 66.02 65.61 2kjc s SER 77 CO 0.00 0.17 0.22 0.00 0.98 0.00 0.00 173.24 174.61 2kjc s MET 78 N -2.24 2.01 0.69 4.02 0.23 -1.26 -1.47 119.30 121.28 2kjc s MET 78 Ca 0.19 -1.91 -0.11 0.00 -1.03 0.00 0.00 55.69 52.83 2kjc s MET 78 Cb -0.10 -3.56 0.00 0.00 -1.53 0.00 0.00 34.83 29.64 2kjc s MET 78 CO 0.11 -1.07 1.07 0.42 -2.03 0.00 0.00 175.02 173.52 2kjc s ILE 79 N 0.97 3.94 0.30 3.16 1.09 -1.20 -4.82 121.20 124.65 2kjc s ILE 79 Ca 0.10 0.63 -0.07 0.00 -1.10 0.00 0.00 60.65 60.21 2kjc s ILE 79 Cb -0.22 -3.54 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 2kjc s ILE 79 CO -0.04 -0.82 0.47 -0.72 -0.10 0.00 0.00 174.94 173.72 2kjc s TYR 80 N -3.21 0.75 0.00 3.97 1.13 -1.26 -2.90 117.35 115.83 2kjc s TYR 80 Ca 0.57 -1.06 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 2kjc s TYR 80 Cb -0.12 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 2kjc s TYR 80 CO 0.54 -1.07 0.00 0.43 -2.51 0.00 0.00 175.55 172.93 2kjc n SER 81 N -0.94 0.00 0.00 -0.18 7.64 -1.26 -4.34 113.62 114.54 2kjc n SER 81 Ca -0.01 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2kjc n SER 81 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kjc n LEU 82 N 0.00 0.00 0.00 -3.43 4.32 -1.26 -4.18 117.00 112.45 2kjc n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kjc n LEU 82 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kjc n LEU 82 CO 0.00 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.50 2kjc n ASP 83 N 0.00 0.00 0.00 -1.43 2.03 -1.26 -3.98 116.55 111.91 2kjc n ASP 83 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kjc n ASP 83 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 0.00 1.67 8.00 -1.26 -5.05 116.55 119.91 2kjc n ASP 84 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2kjc n ASP 84 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2kjc n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kjc n ILE 85 N -1.84 0.00 0.22 0.53 0.00 -1.26 -5.03 119.36 111.98 2kjc n ILE 85 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 62.75 62.61 2kjc n ILE 85 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 39.64 39.56 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2kjc h HIS 86 N 0.00 -1.11 -1.28 9.51 -0.00 -2.02 -2.50 115.15 117.75 2kjc h HIS 86 Ca 0.00 0.01 0.38 0.00 -0.00 0.00 0.00 60.37 60.76 2kjc h HIS 86 Cb 0.00 0.44 -0.09 0.00 -0.00 0.00 0.00 27.41 27.75 2kjc h HIS 86 CO 0.00 -0.52 0.86 -0.39 -0.00 0.00 0.00 177.93 177.88 2kjc h VAL 87 N -0.77 0.30 -0.20 2.45 -1.51 -2.00 0.61 116.25 115.12 2kjc h VAL 87 Ca -0.05 -0.05 0.06 0.00 -1.23 0.00 0.00 66.70 65.43 2kjc h VAL 87 Cb 0.68 0.14 -0.06 0.00 -2.13 0.00 0.00 31.29 29.91 2kjc h VAL 87 CO -0.06 0.03 -0.21 0.00 -1.23 0.00 0.00 177.57 176.10 2kjc h ALA 88 N 1.49 -0.10 -1.01 5.19 0.00 -1.86 -1.53 119.26 121.46 2kjc h ALA 88 Ca 0.70 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.74 2kjc h ALA 88 Cb 2.31 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 20.47 2kjc h ALA 88 CO -0.24 -0.64 0.65 1.79 0.00 0.00 0.00 179.25 180.81 2kjc h THR 89 N -0.22 1.11 -0.81 0.00 1.35 -0.93 -2.37 112.91 111.03 2kjc h THR 89 Ca 0.12 -0.41 0.20 0.00 -0.55 0.00 0.00 66.41 65.77 2kjc h THR 89 Cb 0.41 -0.20 -0.14 0.00 -1.73 0.00 0.00 68.15 66.50 2kjc h THR 89 CO -0.34 0.22 0.07 -0.03 -0.25 0.00 0.00 175.52 175.20 2kjc h MET 90 N 1.20 0.13 -0.60 4.72 4.05 -1.20 0.48 114.93 123.71 2kjc h MET 90 Ca 0.43 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.88 2kjc h MET 90 Cb 0.13 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 2kjc h MET 90 CO -0.16 0.08 0.34 1.25 0.23 0.00 0.00 176.91 178.65 2kjc h LEU 91 N 0.13 0.52 0.64 3.39 5.85 -1.36 -2.54 115.31 121.95 2kjc h LEU 91 Ca 0.47 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 2kjc h LEU 91 Cb 0.87 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.83 2kjc h LEU 91 CO -0.68 0.35 -0.31 0.50 -0.34 0.00 0.00 178.44 177.96 2kjc h LYS 92 N 0.65 -0.83 -0.15 1.25 3.11 -0.26 -2.95 116.57 117.39 2kjc h LYS 92 Ca 0.26 0.06 0.04 0.00 -2.81 0.00 0.00 60.65 58.20 2kjc h LYS 92 Cb 0.11 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2kjc h LYS 92 CO -0.15 -0.56 0.79 0.37 -2.81 0.00 0.00 179.45 177.09 2kjc h GLN 93 N -1.11 0.00 0.21 1.90 4.15 -0.48 -1.46 115.11 118.32 2kjc h GLN 93 Ca -0.09 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2kjc h GLN 93 Cb 0.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2kjc h GLN 93 CO 0.15 0.00 -0.10 0.00 -1.93 0.00 0.00 178.83 176.95 2kjc h ALA 94 N 0.57 -0.42 0.00 3.38 0.00 -1.27 -3.15 119.26 118.37 2kjc h ALA 94 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kjc h ALA 94 Cb 1.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2kjc h ALA 94 CO -0.00 -0.40 0.00 -0.89 0.00 0.00 0.00 179.25 177.95 2kjc n ILE 95 N -3.78 1.07 -0.03 0.00 -0.00 -0.61 -1.66 119.36 114.35 2kjc n ILE 95 Ca -0.03 0.27 -0.15 0.00 -0.00 0.00 0.00 62.75 62.83 2kjc n ILE 95 Cb 0.11 -1.22 -0.11 0.00 -0.00 0.00 0.00 39.64 38.42 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 0.91 1.39 2.76 -1.37 -2.80 115.15 116.31 2kjc h HIS 96 Ca 0.00 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 57.98 2kjc h HIS 96 Cb 0.03 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 28.97 2kjc h HIS 96 CO 0.00 0.94 -0.43 1.25 -1.30 0.00 0.00 177.93 178.38 2kjc h HIS 97 N -0.48 -1.13 -1.15 5.26 -0.00 -1.28 -2.48 115.15 113.89 2kjc h HIS 97 Ca -0.03 -0.03 0.33 0.00 -0.00 0.00 0.00 60.37 60.64 2kjc h HIS 97 Cb 1.01 0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 28.73 2kjc h HIS 97 CO 0.18 -0.70 0.81 0.00 -0.00 0.00 0.00 177.93 178.21 2kjc h ALA 98 N -1.39 2.91 0.00 5.26 0.00 -1.70 -2.72 119.26 121.63 2kjc h ALA 98 Ca -0.12 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.11 2kjc h ALA 98 Cb 0.93 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.83 2kjc h ALA 98 CO 0.20 -1.27 3.81 -1.71 0.00 0.00 0.00 179.25 180.29 2kjc n ASN 99 N -4.29 8.64 -2.82 0.00 5.15 -0.93 -4.37 115.26 116.64 2kjc n ASN 99 Ca 0.26 -2.56 -0.11 0.00 -0.60 0.00 0.00 54.58 51.57 2kjc n ASN 99 Cb 1.16 -1.54 0.04 0.00 -0.53 0.00 0.00 39.78 38.91 2kjc n ASN 99 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2kjc n HIS 100 N 3.60 -2.73 -0.89 1.20 8.25 -1.03 -4.96 115.22 118.67 2kjc n HIS 100 Ca 0.78 -2.15 -0.35 0.00 -0.26 0.00 0.00 57.72 55.74 2kjc n HIS 100 Cb 0.23 1.27 0.08 0.00 1.12 0.00 0.00 29.99 32.69 2kjc n HIS 100 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kjc n PRO 101 N 1.26 -0.26 -2.95 -0.41 -0.02 -1.26 -5.02 135.00 126.35 2kjc n PRO 101 Ca 0.10 -0.06 0.03 0.00 -2.02 0.00 0.00 63.50 61.56 2kjc n PRO 101 Cb 0.64 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2kjc n PRO 101 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kjc s LYS 102 N -2.82 0.29 0.00 -0.52 2.20 -1.26 -5.22 119.74 112.40 2kjc s LYS 102 Ca 0.48 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2kjc s LYS 102 Cb -0.17 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 2kjc s LYS 102 CO 0.74 -0.44 0.00 -1.91 -0.36 0.00 0.00 175.35 173.38