#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 0.61 0.52 -0.44 1.03 -2.06 0.11 112.91 112.67 2kjc h THR 10 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.37 2kjc h THR 10 Cb 0.00 0.70 0.01 0.00 -1.07 0.00 0.00 68.15 67.78 2kjc h THR 10 CO 0.00 0.00 -0.25 -0.78 -0.01 0.00 0.00 175.52 174.48 2kjc h ASP 11 N 0.00 -0.59 -0.63 0.00 3.58 -2.07 -2.98 116.42 113.73 2kjc h ASP 11 Ca 0.25 0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.85 2kjc h ASP 11 Cb 1.08 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 42.25 2kjc h ASP 11 CO -0.00 -0.25 0.42 0.71 -2.88 0.00 0.00 179.24 177.24 2kjc h THR 12 N -1.05 0.83 0.00 2.25 1.35 -1.84 0.52 112.91 114.97 2kjc h THR 12 Ca -0.07 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2kjc h THR 12 Cb 0.53 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2kjc h THR 12 CO 0.12 0.06 0.00 0.25 -0.25 0.00 0.00 175.52 175.69 2kjc h LEU 13 N 0.31 0.00 0.00 3.87 6.46 -0.74 1.28 115.31 126.49 2kjc h LEU 13 Ca 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2kjc h LEU 13 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2kjc h LEU 13 CO -0.07 0.00 -0.06 1.21 -0.62 0.00 0.00 178.44 178.89 2kjc n GLU 14 N -2.62 0.26 -0.07 1.25 2.13 0.18 -3.61 120.64 118.15 2kjc n GLU 14 Ca -0.01 0.20 -0.12 0.00 0.66 0.00 0.00 57.16 57.89 2kjc n GLU 14 Cb 0.12 -1.79 -0.15 0.00 0.27 0.00 0.00 31.44 29.89 2kjc n GLU 14 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2kjc n ARG 15 N -2.23 0.67 0.07 5.31 0.63 0.42 -3.92 116.66 117.62 2kjc n ARG 15 Ca 0.05 0.12 0.11 0.00 -0.92 0.00 0.00 57.85 57.21 2kjc n ARG 15 Cb 0.43 -1.61 0.44 0.00 0.45 0.00 0.00 32.46 32.17 2kjc n ARG 15 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2kjc n VAL 16 N -2.96 0.72 0.00 5.15 0.24 -0.26 -2.93 118.33 118.29 2kjc n VAL 16 Ca -0.30 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2kjc n VAL 16 Cb 1.10 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 2kjc n VAL 16 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kjc n THR 17 N -1.95 0.00 -0.39 3.34 -1.04 -1.24 -4.36 114.28 108.63 2kjc n THR 17 Ca 0.04 0.49 0.36 0.00 -2.04 0.00 0.00 64.05 62.91 2kjc n THR 17 Cb 0.27 -1.49 0.72 0.00 -1.82 0.00 0.00 70.33 68.01 2kjc n THR 17 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kjc h GLU 18 N 0.00 0.07 -0.87 -2.82 4.39 -1.68 0.13 114.58 113.80 2kjc h GLU 18 Ca 0.00 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2kjc h GLU 18 Cb 0.00 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.54 2kjc h GLU 18 CO 0.00 0.04 0.45 0.97 -1.16 0.00 0.00 179.01 179.31 2kjc h ILE 19 N 0.07 0.71 -0.01 3.13 2.10 -1.73 -2.18 117.51 119.60 2kjc h ILE 19 Ca 0.65 -0.21 -0.01 0.00 1.08 0.00 0.00 64.86 66.37 2kjc h ILE 19 Cb 2.41 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 2kjc h ILE 19 CO -0.09 0.11 -0.04 -0.26 -1.08 0.00 0.00 178.15 176.80 2kjc h PHE 20 N 0.62 0.05 -0.78 2.19 0.04 -0.94 -3.18 116.94 114.95 2kjc h PHE 20 Ca 0.48 -0.02 0.23 0.00 2.80 0.00 0.00 57.97 61.45 2kjc h PHE 20 Cb 0.71 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.82 2kjc h PHE 20 CO -0.09 0.70 0.84 -0.22 -0.60 0.00 0.00 178.31 178.94 2kjc h LYS 21 N -0.61 0.00 0.00 1.51 3.64 -1.34 0.99 116.57 120.76 2kjc h LYS 21 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2kjc h LYS 21 Cb 0.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2kjc h LYS 21 CO 0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 179.45 176.81 2kjc h ALA 22 N 1.05 1.30 -0.00 5.00 0.00 -1.42 -2.16 119.26 123.03 2kjc h ALA 22 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kjc h ALA 22 Cb 2.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2kjc h ALA 22 CO -0.00 0.47 -0.20 1.28 0.00 0.00 0.00 179.25 180.80 2kjc n LEU 23 N -3.98 0.49 -0.17 0.00 4.77 0.34 -4.36 117.00 114.10 2kjc n LEU 23 Ca -0.02 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 2kjc n LEU 23 Cb 0.42 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2kjc n LEU 23 CO 0.38 0.10 0.49 1.23 -1.33 0.00 0.00 177.39 178.26 2kjc h GLY 24 N 4.97 -1.56 -6.96 -0.72 0.00 -1.26 -3.40 103.07 94.14 2kjc h GLY 24 Ca 0.00 0.88 -0.73 0.00 0.00 0.00 0.00 47.33 47.48 2kjc h GLY 24 CO 0.00 -0.41 1.31 1.22 0.00 0.00 0.00 176.54 178.66 2kjc n ASP 25 N -4.24 1.38 0.28 0.19 8.00 -1.26 -4.75 116.55 116.15 2kjc n ASP 25 Ca -0.00 0.62 0.19 0.00 0.71 0.00 0.00 54.79 56.30 2kjc n ASP 25 Cb 0.17 -1.05 0.95 0.00 -0.02 0.00 0.00 41.12 41.16 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2kjc h TYR 26 N 10.06 0.00 0.10 1.24 -0.00 -1.97 -2.18 116.97 124.22 2kjc h TYR 26 Ca -0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.25 2kjc h TYR 26 Cb 1.38 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 38.13 2kjc h TYR 26 CO 0.95 0.00 -1.19 -0.91 -0.00 0.00 0.00 178.16 177.01 2kjc h ASN 27 N 0.00 0.74 0.03 0.10 4.21 -1.92 -3.15 115.58 115.58 2kjc h ASN 27 Ca 0.00 -0.68 -0.00 0.00 1.21 0.00 0.00 56.30 56.83 2kjc h ASN 27 Cb 0.15 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 2kjc h ASN 27 CO 0.00 1.49 -0.01 0.03 -1.29 0.00 0.00 177.43 177.65 2kjc h ARG 28 N 0.24 -0.03 -0.44 0.81 3.08 -1.75 -3.17 114.38 113.10 2kjc h ARG 28 Ca -0.16 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.02 2kjc h ARG 28 Cb 1.86 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.90 2kjc h ARG 28 CO 0.22 0.57 0.35 0.97 -1.07 0.00 0.00 179.97 181.01 2kjc h ILE 29 N -0.67 0.66 0.00 2.04 6.09 -1.62 0.28 117.51 124.29 2kjc h ILE 29 Ca -0.00 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.41 2kjc h ILE 29 Cb 0.62 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 2kjc h ILE 29 CO 0.01 0.00 -0.37 -0.09 -3.07 0.00 0.00 178.15 174.63 2kjc h ARG 30 N 0.00 0.00 -0.01 2.19 2.43 -1.52 -2.65 114.38 114.82 2kjc h ARG 30 Ca 0.21 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.19 2kjc h ARG 30 Cb 0.90 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2kjc h ARG 30 CO -0.00 0.37 -0.84 0.82 -1.51 0.00 0.00 179.97 178.81 2kjc h ILE 31 N 0.00 1.47 -0.37 1.20 2.04 -0.46 -3.13 117.51 118.25 2kjc h ILE 31 Ca -0.00 -2.50 -0.07 0.00 1.00 0.00 0.00 64.86 63.29 2kjc h ILE 31 Cb 0.72 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 2kjc h ILE 31 CO 0.05 0.73 -0.05 0.24 0.00 0.00 0.00 178.15 179.12 2kjc h MET 32 N 0.13 0.61 -0.85 2.37 2.86 -1.20 -2.54 114.93 116.31 2kjc h MET 32 Ca -0.04 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2kjc h MET 32 Cb 1.45 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.99 2kjc h MET 32 CO 0.13 0.67 0.50 0.93 1.06 0.00 0.00 176.91 180.20 2kjc h GLU 33 N 0.57 1.17 0.67 1.72 5.08 -1.45 -1.74 114.58 120.60 2kjc h GLU 33 Ca 0.11 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kjc h GLU 33 Cb 0.44 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2kjc h GLU 33 CO 0.02 0.83 -0.32 1.25 -1.00 0.00 0.00 179.01 179.79 2kjc h LEU 34 N 1.18 -0.76 -2.13 1.33 5.85 -1.49 -2.76 115.31 116.52 2kjc h LEU 34 Ca 0.30 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.03 2kjc h LEU 34 Cb -0.02 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2kjc h LEU 34 CO -0.05 -0.39 0.29 -0.07 -0.34 0.00 0.00 178.44 177.87 2kjc h LEU 35 N -1.18 0.00 -0.24 2.25 3.38 -1.42 0.11 115.31 118.21 2kjc h LEU 35 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2kjc h LEU 35 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2kjc h LEU 35 CO 0.15 0.00 -0.27 -1.28 0.09 0.00 0.00 178.44 177.13 2kjc h SER 36 N 0.00 0.65 0.87 -0.43 0.87 -1.03 -3.14 113.55 111.35 2kjc h SER 36 Ca 0.01 -0.48 -0.16 0.00 -1.23 0.00 0.00 61.79 59.92 2kjc h SER 36 Cb 0.59 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2kjc h SER 36 CO -0.00 1.01 -0.78 0.58 -0.53 0.00 0.00 176.83 177.10 2kjc h VAL 37 N 0.32 1.51 -1.33 2.23 2.07 -0.69 -3.46 116.25 116.89 2kjc h VAL 37 Ca 0.04 -2.73 0.15 0.00 0.82 0.00 0.00 66.70 64.98 2kjc h VAL 37 Cb 0.83 2.49 -0.30 0.00 -1.52 0.00 0.00 31.29 32.80 2kjc h VAL 37 CO 0.07 0.77 0.56 -0.94 0.02 0.00 0.00 177.57 178.04 2kjc s SER 38 N -6.73 -0.31 0.63 0.57 1.04 -0.56 -5.14 113.70 103.21 2kjc s SER 38 Ca 0.00 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.78 2kjc s SER 38 Cb 0.11 1.07 -0.02 0.00 0.10 0.00 0.00 66.02 67.28 2kjc s SER 38 CO 0.78 -0.08 1.08 -1.83 0.98 0.00 0.00 173.24 174.18 2kjc s GLU 39 N 1.12 3.05 0.30 4.02 1.03 -1.23 -3.81 118.70 123.16 2kjc s GLU 39 Ca -0.07 1.28 -0.09 0.00 0.03 0.00 0.00 54.97 56.11 2kjc s GLU 39 Cb -0.03 -1.99 0.04 0.00 -0.80 0.00 0.00 34.13 31.34 2kjc s GLU 39 CO -0.12 -1.04 0.56 0.00 -1.33 0.00 0.00 175.26 173.32 2kjc n ALA 40 N -2.28 -1.11 -2.69 -0.84 0.00 -1.24 -5.03 120.51 107.31 2kjc n ALA 40 Ca 0.09 -1.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.22 2kjc n ALA 40 Cb 0.52 0.83 -0.03 0.00 0.00 0.00 0.00 19.45 20.78 2kjc n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kjc s SER 41 N -2.62 6.38 0.29 0.00 0.01 -1.26 -3.56 113.70 112.94 2kjc s SER 41 Ca 0.15 0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.91 2kjc s SER 41 Cb -0.03 -2.04 0.71 0.00 0.21 0.00 0.00 66.02 64.87 2kjc s SER 41 CO 0.11 -0.13 1.72 -0.37 0.41 0.00 0.00 173.24 174.97 2kjc h VAL 42 N 1.33 0.54 -0.48 3.43 -1.51 -1.97 -1.61 116.25 115.98 2kjc h VAL 42 Ca -0.48 -0.16 -0.07 0.00 -1.23 0.00 0.00 66.70 64.75 2kjc h VAL 42 Cb 1.20 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 2kjc h VAL 42 CO 0.66 0.09 0.02 1.23 -1.23 0.00 0.00 177.57 178.33 2kjc h GLY 43 N 0.48 0.90 1.59 5.19 0.00 -1.95 -2.97 103.07 106.31 2kjc h GLY 43 Ca 0.55 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 2kjc h GLY 43 CO -0.48 0.60 -0.46 0.84 0.00 0.00 0.00 176.54 177.03 2kjc h HIS 44 N 0.69 0.54 0.00 5.60 6.17 -1.71 -2.47 115.15 123.98 2kjc h HIS 44 Ca 0.14 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2kjc h HIS 44 Cb 0.48 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.30 2kjc h HIS 44 CO 0.04 0.83 0.00 0.44 0.71 0.00 0.00 177.93 179.95 2kjc n ILE 45 N -3.99 0.72 0.18 6.26 -5.35 -0.91 -2.62 119.36 113.65 2kjc n ILE 45 Ca -0.02 0.09 0.11 0.00 -0.27 0.00 0.00 62.75 62.66 2kjc n ILE 45 Cb 0.54 -0.92 0.57 0.00 -1.74 0.00 0.00 39.64 38.09 2kjc n ILE 45 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kjc h SER 46 N 0.00 0.00 0.02 7.28 0.87 -1.27 0.15 113.55 120.60 2kjc h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kjc h SER 46 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2kjc h SER 46 CO 0.00 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 177.71 2kjc n HIS 47 N -2.27 0.13 -0.09 2.24 8.25 -1.08 0.26 115.22 122.66 2kjc n HIS 47 Ca -0.01 0.07 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2kjc n HIS 47 Cb 0.12 -0.61 -0.05 0.00 1.12 0.00 0.00 29.99 30.58 2kjc n HIS 47 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kjc n GLN 48 N -1.63 0.52 0.10 -0.41 3.00 0.04 -4.66 117.38 114.34 2kjc n GLN 48 Ca -0.00 0.35 -0.21 0.00 -0.01 0.00 0.00 57.00 57.13 2kjc n GLN 48 Cb 0.01 -1.55 -0.15 0.00 0.00 0.00 0.00 30.24 28.55 2kjc n GLN 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2kjc h LEU 49 N -1.00 0.60 -3.13 1.08 4.07 -1.61 -3.49 115.31 111.84 2kjc h LEU 49 Ca -0.16 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.05 2kjc h LEU 49 Cb 1.00 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.54 2kjc h LEU 49 CO -0.10 1.61 -0.98 -0.46 -1.08 0.00 0.00 178.44 177.43 2kjc n ASN 50 N -3.59 -6.83 0.00 -0.43 0.23 0.74 -4.98 115.26 100.41 2kjc n ASN 50 Ca -0.18 0.62 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 2kjc n ASN 50 Cb 1.07 -2.30 0.00 0.00 -2.08 0.00 0.00 39.78 36.47 2kjc n ASN 50 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2kjc n LEU 51 N 1.22 0.00 -4.74 -4.53 7.94 -1.26 -5.09 117.00 110.54 2kjc n LEU 51 Ca -0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 2kjc n LEU 51 Cb 0.39 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.31 2kjc n LEU 51 CO 0.09 0.00 0.86 -0.55 -1.11 0.00 0.00 177.39 176.67 2kjc s SER 52 N 2.00 7.13 0.44 1.96 0.15 -1.26 -4.92 113.70 119.21 2kjc s SER 52 Ca 0.00 2.17 0.28 0.00 0.70 0.00 0.00 55.95 59.10 2kjc s SER 52 Cb 0.00 -2.60 0.90 0.00 -1.71 0.00 0.00 66.02 62.61 2kjc s SER 52 CO 0.00 -0.34 1.80 -0.61 1.20 0.00 0.00 173.24 175.29 2kjc h GLN 53 N 5.36 0.00 0.00 5.44 4.15 -2.00 -2.88 115.11 125.19 2kjc h GLN 53 Ca -0.44 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.87 2kjc h GLN 53 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2kjc h GLN 53 CO 0.75 0.00 -0.57 0.66 -1.93 0.00 0.00 178.83 177.73 2kjc h SER 54 N 0.00 0.00 -0.07 -0.69 4.64 -1.99 -2.98 113.55 112.47 2kjc h SER 54 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2kjc h SER 54 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2kjc h SER 54 CO 0.00 0.51 -0.47 -1.13 -0.87 0.00 0.00 176.83 174.87 2kjc h ASN 55 N 0.00 0.53 0.08 4.97 -0.73 -1.91 -2.30 115.58 116.22 2kjc h ASN 55 Ca -0.02 -0.68 -0.15 0.00 1.87 0.00 0.00 56.30 57.33 2kjc h ASN 55 Cb 1.40 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.82 2kjc h ASN 55 CO 0.06 1.12 -0.51 1.62 -0.37 0.00 0.00 177.43 179.35 2kjc h VAL 56 N -0.03 1.33 -0.09 2.57 3.04 -1.65 -2.97 116.25 118.45 2kjc h VAL 56 Ca -0.04 -1.75 -0.13 0.00 -1.01 0.00 0.00 66.70 63.77 2kjc h VAL 56 Cb 1.14 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 32.16 2kjc h VAL 56 CO 0.10 0.54 -0.53 0.77 -1.01 0.00 0.00 177.57 177.43 2kjc h SER 57 N 0.37 0.28 -0.03 3.17 4.64 -1.58 -2.40 113.55 118.00 2kjc h SER 57 Ca 0.01 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2kjc h SER 57 Cb 1.03 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2kjc h SER 57 CO 0.09 0.76 0.00 0.45 -0.87 0.00 0.00 176.83 177.27 2kjc h HIS 58 N 0.20 0.06 0.00 4.77 -0.00 -1.31 -2.80 115.15 116.07 2kjc h HIS 58 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2kjc h HIS 58 Cb 1.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 2kjc h HIS 58 CO 0.02 0.32 -0.05 -0.56 -0.00 0.00 0.00 177.93 177.66 2kjc h GLN 59 N -0.22 0.00 -0.46 2.45 3.07 -1.54 -2.61 115.11 115.80 2kjc h GLN 59 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.70 2kjc h GLN 59 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 2kjc h GLN 59 CO 0.00 0.05 0.09 1.25 0.09 0.00 0.00 178.83 180.31 2kjc h LEU 60 N 0.00 0.66 -0.46 0.06 5.85 -1.16 -2.34 115.31 117.93 2kjc h LEU 60 Ca -0.00 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 2kjc h LEU 60 Cb 0.52 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2kjc h LEU 60 CO 0.01 0.67 -0.54 0.50 -0.34 0.00 0.00 178.44 178.74 2kjc h LYS 61 N 0.68 0.66 -0.42 1.25 3.64 -1.39 -3.16 116.57 117.83 2kjc h LYS 61 Ca 0.15 -0.41 0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2kjc h LYS 61 Cb 0.29 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 2kjc h LYS 61 CO 0.00 1.03 -0.18 1.25 -2.27 0.00 0.00 179.45 179.28 2kjc h LEU 62 N 0.51 -0.62 -2.36 5.20 6.46 -1.39 0.36 115.31 123.47 2kjc h LEU 62 Ca 0.01 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2kjc h LEU 62 Cb 1.10 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 2kjc h LEU 62 CO 0.11 -0.21 0.00 -0.07 -0.62 0.00 0.00 178.44 177.64 2kjc h LEU 63 N -0.10 0.00 -0.70 2.25 3.38 -1.52 -1.19 115.31 117.43 2kjc h LEU 63 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kjc h LEU 63 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kjc h LEU 63 CO -0.48 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.22 2kjc n LYS 64 N -3.06 0.19 0.01 1.13 4.81 0.13 -3.03 118.16 118.33 2kjc n LYS 64 Ca -0.02 0.42 -0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2kjc n LYS 64 Cb 0.16 -1.87 -0.09 0.00 0.02 0.00 0.00 35.03 33.25 2kjc n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kjc h SER 65 N 0.00 -0.10 0.00 3.14 4.64 -1.15 -3.03 113.55 117.05 2kjc h SER 65 Ca 0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2kjc h SER 65 Cb 0.36 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2kjc h SER 65 CO 0.00 0.53 0.00 1.33 -0.87 0.00 0.00 176.83 177.82 2kjc n VAL 66 N -4.84 0.00 -1.18 0.95 0.24 -1.17 -4.76 118.33 107.57 2kjc n VAL 66 Ca -0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 2kjc n VAL 66 Cb 0.29 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 2kjc n VAL 66 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2kjc n HIS 67 N -0.66 -0.03 0.64 6.34 -0.00 -1.15 -4.78 115.22 115.59 2kjc n HIS 67 Ca 0.03 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.32 2kjc n HIS 67 Cb 0.01 -2.46 0.45 0.00 -0.12 0.00 0.00 29.99 27.87 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kjc n LEU 68 N -0.91 0.28 -4.10 0.27 7.94 -1.19 -4.78 117.00 114.51 2kjc n LEU 68 Ca -0.08 0.55 -0.09 0.00 -1.11 0.00 0.00 56.01 55.28 2kjc n LEU 68 Cb 0.53 -0.48 -0.10 0.00 0.53 0.00 0.00 43.42 43.90 2kjc n LEU 68 CO 0.12 -0.23 -0.37 -0.69 -1.11 0.00 0.00 177.39 175.11 2kjc s VAL 69 N -3.08 0.36 -0.06 1.96 1.01 -1.24 -4.84 120.40 114.49 2kjc s VAL 69 Ca 0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 2kjc s VAL 69 Cb 0.13 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2kjc s VAL 69 CO 0.42 -0.87 0.15 -0.75 0.00 0.00 0.00 175.10 174.05 2kjc s LYS 70 N -3.47 0.14 -0.04 2.72 2.20 -1.26 -4.67 119.74 115.37 2kjc s LYS 70 Ca 0.05 0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 2kjc s LYS 70 Cb 0.04 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 2kjc s LYS 70 CO -0.07 -0.09 0.11 0.00 -0.36 0.00 0.00 175.35 174.94 2kjc s ALA 71 N 0.60 3.69 0.03 3.13 0.00 -1.26 -3.87 121.76 124.07 2kjc s ALA 71 Ca -0.04 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2kjc s ALA 71 Cb -0.06 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 2kjc s ALA 71 CO -0.03 0.68 -0.17 0.21 0.00 0.00 0.00 175.76 176.45 2kjc s LYS 72 N -1.56 1.19 -0.18 0.00 2.20 -1.13 -5.07 119.74 115.18 2kjc s LYS 72 Ca 0.21 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.86 2kjc s LYS 72 Cb -0.12 -1.22 -0.03 0.00 -1.51 0.00 0.00 37.83 34.95 2kjc s LYS 72 CO 0.12 0.31 0.58 0.50 -0.36 0.00 0.00 175.35 176.50 2kjc s ARG 73 N -0.93 4.23 -0.38 4.03 3.52 -1.26 -3.30 118.95 124.85 2kjc s ARG 73 Ca 0.05 0.54 0.04 0.00 -0.13 0.00 0.00 55.73 56.23 2kjc s ARG 73 Cb -0.08 -3.55 0.16 0.00 -1.56 0.00 0.00 34.95 29.92 2kjc s ARG 73 CO 0.01 -0.14 0.40 -1.14 -0.81 0.00 0.00 175.30 173.62 2kjc s GLN 74 N 1.59 0.69 0.07 5.12 -0.44 -1.22 -5.00 119.66 120.47 2kjc s GLN 74 Ca 0.27 -0.93 0.00 0.00 -2.50 0.00 0.00 55.36 52.21 2kjc s GLN 74 Cb -0.16 -0.70 0.00 0.00 -1.64 0.00 0.00 33.01 30.52 2kjc s GLN 74 CO 0.11 -1.21 0.00 0.41 0.50 0.00 0.00 175.29 175.09 2kjc n GLY 75 N 4.10 -1.62 0.31 2.59 0.00 -1.26 -3.78 105.19 105.53 2kjc n GLY 75 Ca 0.13 -1.46 0.10 0.00 0.00 0.00 0.00 46.02 44.79 2kjc n GLY 75 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2kjc h GLN 76 N -0.23 0.00 -5.93 1.61 3.07 -2.03 -3.39 115.11 108.20 2kjc h GLN 76 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.16 2kjc h GLN 76 Cb 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.73 2kjc h GLN 76 CO 0.00 0.00 -0.11 -1.12 0.09 0.00 0.00 178.83 177.69 2kjc s SER 77 N -3.90 6.82 -0.70 0.06 0.01 -1.25 -5.04 113.70 109.72 2kjc s SER 77 Ca -0.02 0.98 -0.17 0.00 1.31 0.00 0.00 55.95 58.04 2kjc s SER 77 Cb 0.06 -2.31 0.14 0.00 0.21 0.00 0.00 66.02 64.12 2kjc s SER 77 CO 0.18 0.12 0.77 -0.04 0.41 0.00 0.00 173.24 174.68 2kjc s MET 78 N -0.12 3.26 0.43 12.44 -1.94 -1.26 -3.41 119.30 128.70 2kjc s MET 78 Ca 0.27 -1.70 -0.21 0.00 -1.71 0.00 0.00 55.69 52.34 2kjc s MET 78 Cb -0.17 -4.41 -0.11 0.00 2.01 0.00 0.00 34.83 32.15 2kjc s MET 78 CO 0.14 -1.50 0.94 0.42 -0.01 0.00 0.00 175.02 175.01 2kjc s ILE 79 N 1.99 4.40 0.07 2.53 1.01 -1.21 -4.67 121.20 125.31 2kjc s ILE 79 Ca 0.15 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.33 2kjc s ILE 79 Cb -0.18 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2kjc s ILE 79 CO -0.00 -0.31 -0.14 -0.31 0.00 0.00 0.00 174.94 174.17 2kjc s TYR 80 N -2.17 1.22 0.09 3.97 2.02 -1.23 -2.85 117.35 118.39 2kjc s TYR 80 Ca 0.62 -0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 2kjc s TYR 80 Cb -0.09 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.79 2kjc s TYR 80 CO 0.13 0.06 0.17 -1.13 -1.57 0.00 0.00 175.55 173.21 2kjc n SER 81 N 1.34 -0.49 -2.06 2.29 3.41 -1.25 -3.63 113.62 113.23 2kjc n SER 81 Ca -0.21 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2kjc n SER 81 Cb 0.54 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kjc n LEU 82 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.15 117.00 117.40 2kjc n LEU 82 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kjc n LEU 82 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2kjc n LEU 82 CO 0.06 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.22 2kjc n ASP 83 N 0.00 0.00 -3.53 -1.43 5.68 -1.26 -4.10 116.55 111.91 2kjc n ASP 83 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 2kjc n ASP 83 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 2kjc n ASP 83 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2kjc s ASP 84 N 0.00 -0.63 -1.53 -1.12 1.01 -1.26 -5.06 116.67 108.09 2kjc s ASP 84 Ca 0.00 0.69 -0.11 0.00 0.71 0.00 0.00 52.55 53.84 2kjc s ASP 84 Cb 0.00 0.52 -0.01 0.00 1.01 0.00 0.00 42.92 44.44 2kjc s ASP 84 CO 0.00 -0.58 2.62 2.30 0.21 0.00 0.00 175.17 179.73 2kjc n ILE 85 N 0.91 4.16 0.00 0.77 -5.35 -1.26 -3.47 119.36 115.11 2kjc n ILE 85 Ca -0.18 -2.99 0.00 0.00 -0.27 0.00 0.00 62.75 59.31 2kjc n ILE 85 Cb 0.57 -2.55 0.00 0.00 -1.74 0.00 0.00 39.64 35.92 2kjc n ILE 85 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2kjc n HIS 86 N 4.17 0.00 -0.06 4.28 8.25 -1.26 -4.87 115.22 125.73 2kjc n HIS 86 Ca 0.67 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.99 2kjc n HIS 86 Cb 0.29 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 2kjc n HIS 86 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2kjc h VAL 87 N 0.00 1.34 0.23 1.59 -1.51 -1.99 -2.44 116.25 113.47 2kjc h VAL 87 Ca 0.00 -1.43 -0.01 0.00 -1.23 0.00 0.00 66.70 64.03 2kjc h VAL 87 Cb 0.00 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2kjc h VAL 87 CO 0.00 0.43 -0.11 0.00 -1.23 0.00 0.00 177.57 176.66 2kjc h ALA 88 N 0.61 -0.30 -0.72 5.19 0.00 -1.91 -2.94 119.26 119.20 2kjc h ALA 88 Ca 0.02 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kjc h ALA 88 Cb 0.80 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2kjc h ALA 88 CO 0.06 -0.63 0.37 1.79 0.00 0.00 0.00 179.25 180.83 2kjc h THR 89 N -0.38 0.87 -0.75 0.00 1.35 -1.89 -2.04 112.91 110.07 2kjc h THR 89 Ca -0.03 -0.22 0.17 0.00 -0.55 0.00 0.00 66.41 65.78 2kjc h THR 89 Cb 0.29 0.18 -0.13 0.00 -1.73 0.00 0.00 68.15 66.76 2kjc h THR 89 CO 0.05 0.12 -0.01 -0.03 -0.25 0.00 0.00 175.52 175.39 2kjc h MET 90 N 0.63 0.09 0.26 4.72 4.05 -1.25 2.16 114.93 125.59 2kjc h MET 90 Ca 0.35 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.75 2kjc h MET 90 Cb 0.34 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2kjc h MET 90 CO -0.25 0.06 -0.13 -0.07 0.23 0.00 0.00 176.91 176.75 2kjc h LEU 91 N 0.09 -0.30 -0.87 3.39 3.38 -1.34 -1.61 115.31 118.05 2kjc h LEU 91 Ca 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kjc h LEU 91 Cb 0.70 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kjc h LEU 91 CO -0.67 0.03 0.00 0.11 0.09 0.00 0.00 178.44 178.01 2kjc h LYS 92 N -0.65 0.00 0.05 1.13 1.79 -0.96 -2.75 116.57 115.17 2kjc h LYS 92 Ca -0.04 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.17 2kjc h LYS 92 Cb 0.46 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 2kjc h LYS 92 CO 0.06 0.00 -1.31 0.37 -1.08 0.00 0.00 179.45 177.49 2kjc h GLN 93 N 0.00 0.10 0.25 3.15 4.15 0.37 -3.12 115.11 120.01 2kjc h GLN 93 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 2kjc h GLN 93 Cb 0.43 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2kjc h GLN 93 CO 0.00 0.96 -0.12 0.00 -1.93 0.00 0.00 178.83 177.74 2kjc h ALA 94 N 0.81 -0.33 -0.10 3.38 0.00 -1.00 -3.14 119.26 118.86 2kjc h ALA 94 Ca -0.14 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kjc h ALA 94 Cb 1.91 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kjc h ALA 94 CO 0.14 -0.40 0.11 0.97 0.00 0.00 0.00 179.25 180.07 2kjc h ILE 95 N -0.90 0.53 -0.09 0.00 2.10 -1.68 -0.41 117.51 117.06 2kjc h ILE 95 Ca -0.03 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.82 2kjc h ILE 95 Cb 0.50 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.13 2kjc h ILE 95 CO 0.06 0.00 -0.33 -0.74 -1.08 0.00 0.00 178.15 176.06 2kjc h HIS 96 N 0.00 0.19 0.38 2.19 2.76 -1.50 -3.07 115.15 116.09 2kjc h HIS 96 Ca 0.05 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2kjc h HIS 96 Cb 0.27 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2kjc h HIS 96 CO 0.00 0.48 -0.18 1.25 -1.30 0.00 0.00 177.93 178.18 2kjc h HIS 97 N 0.15 -0.47 0.00 5.26 -0.00 -1.03 -3.18 115.15 115.88 2kjc h HIS 97 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2kjc h HIS 97 Cb 0.65 0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2kjc h HIS 97 CO 0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 177.93 177.65 2kjc n ALA 98 N -2.72 -0.03 -2.08 5.26 0.00 -1.18 -2.83 120.51 116.93 2kjc n ALA 98 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2kjc n ALA 98 Cb 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kjc n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kjc n ASN 99 N -1.34 5.93 0.08 0.00 4.05 -1.16 -4.67 115.26 118.15 2kjc n ASN 99 Ca 0.00 -3.03 -0.13 0.00 0.45 0.00 0.00 54.58 51.86 2kjc n ASN 99 Cb 0.00 -1.48 -0.06 0.00 1.23 0.00 0.00 39.78 39.47 2kjc n ASN 99 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 177.26 173.47 2kjc h HIS 100 N 5.44 0.55 -3.27 1.20 2.76 -1.50 -3.45 115.15 116.88 2kjc h HIS 100 Ca 0.54 -0.32 -0.58 0.00 -2.20 0.00 0.00 60.37 57.81 2kjc h HIS 100 Cb 0.52 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.36 2kjc h HIS 100 CO 1.42 1.16 -0.11 -1.25 -1.30 0.00 0.00 177.93 177.85 2kjc s PRO 101 N -3.13 4.26 0.50 5.26 0.04 -1.26 -4.96 135.00 135.72 2kjc s PRO 101 Ca -0.05 0.54 0.29 0.00 0.04 0.00 0.00 61.00 61.82 2kjc s PRO 101 Cb 0.09 -3.37 1.04 0.00 0.04 0.00 0.00 34.50 32.30 2kjc s PRO 101 CO 0.87 0.32 1.87 0.87 0.04 0.00 0.00 177.00 180.96 2kjc h LYS 102 N 6.03 0.00 0.00 4.56 1.57 -2.02 -3.54 116.57 123.17 2kjc h LYS 102 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2kjc h LYS 102 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2kjc h LYS 102 CO 0.71 0.05 0.00 -1.91 -0.57 0.00 0.00 179.45 177.73