#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv h GLU 2 N 0.00 0.51 -5.86 0.03 9.09 -2.04 -3.40 114.58 112.91 2kkv h GLU 2 Ca 0.00 -0.23 -0.50 0.00 0.05 0.00 0.00 59.36 58.69 2kkv h GLU 2 Cb 0.00 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 2kkv h GLU 2 CO 0.00 0.78 1.47 -0.80 0.05 0.00 0.00 179.01 180.51 2kkv s ASN 3 N -6.83 4.99 -0.24 3.06 -0.87 -1.26 -4.93 114.94 108.85 2kkv s ASN 3 Ca -0.07 0.81 -0.08 0.00 -1.57 0.00 0.00 52.86 51.95 2kkv s ASN 3 Cb 0.13 -2.52 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 2kkv s ASN 3 CO 0.81 -2.51 0.11 -0.44 -2.57 0.00 0.00 177.10 172.49 2kkv s SER 4 N 9.64 5.53 0.00 -1.22 0.01 -1.26 -4.42 113.70 121.97 2kkv s SER 4 Ca 0.83 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2kkv s SER 4 Cb -0.16 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2kkv s SER 4 CO 0.25 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2kkv n GLY 5 N 4.62 0.53 3.32 3.44 0.00 -1.26 -5.00 105.19 110.84 2kkv n GLY 5 Ca -0.16 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv s ALA 6 N -2.00 3.57 -1.19 4.61 0.00 -1.26 -4.98 121.76 120.51 2kkv s ALA 6 Ca 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 51.96 49.51 2kkv s ALA 6 Cb 0.00 -3.12 0.22 0.00 0.00 0.00 0.00 23.12 20.23 2kkv s ALA 6 CO 0.00 -1.88 1.59 0.66 0.00 0.00 0.00 175.76 176.13 2kkv n TYR 7 N 5.18 3.38 -4.39 0.00 4.01 -1.26 -4.71 117.16 119.37 2kkv n TYR 7 Ca -0.13 -2.96 -0.29 0.00 -0.16 0.00 0.00 57.90 54.36 2kkv n TYR 7 Cb 0.42 -1.76 -0.13 0.00 -0.31 0.00 0.00 39.34 37.56 2kkv n TYR 7 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kkv s THR 8 N -0.54 2.28 0.17 -0.72 2.01 -1.26 -5.02 115.64 112.57 2kkv s THR 8 Ca 0.37 -1.77 -0.17 0.00 0.31 0.00 0.00 61.69 60.43 2kkv s THR 8 Cb 0.04 -2.02 0.11 0.00 0.01 0.00 0.00 72.50 70.64 2kkv s THR 8 CO 0.02 0.08 1.65 0.15 -0.69 0.00 0.00 174.62 175.83 2kkv h PHE 9 N 3.84 -0.33 -0.03 4.92 3.04 -1.96 -0.68 116.94 125.73 2kkv h PHE 9 Ca -0.51 0.04 -0.16 0.00 3.98 0.00 0.00 57.97 61.32 2kkv h PHE 9 Cb 1.17 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.88 2kkv h PHE 9 CO 0.60 -0.23 -0.71 0.93 -2.02 0.00 0.00 178.31 176.89 2kkv h GLU 10 N -0.05 0.15 -0.66 1.11 4.39 -1.99 -2.91 114.58 114.62 2kkv h GLU 10 Ca 0.21 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2kkv h GLU 10 Cb 0.37 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2kkv h GLU 10 CO -0.46 0.80 0.10 1.15 -1.16 0.00 0.00 179.01 179.43 2kkv h THR 11 N 0.10 1.26 0.00 1.13 2.02 -1.66 -2.49 112.91 113.27 2kkv h THR 11 Ca -0.02 -1.04 -0.11 0.00 0.77 0.00 0.00 66.41 66.01 2kkv h THR 11 Cb 1.26 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2kkv h THR 11 CO 0.10 0.39 -0.53 0.40 0.37 0.00 0.00 175.52 176.25 2kkv h ILE 12 N 1.02 1.25 -0.52 3.11 2.04 -1.14 -3.10 117.51 120.17 2kkv h ILE 12 Ca 0.20 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2kkv h ILE 12 Cb 0.45 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 2kkv h ILE 12 CO 0.01 0.52 0.34 0.00 0.00 0.00 0.00 178.15 179.02 2kkv h ALA 13 N 1.47 1.61 0.02 1.87 0.00 -1.24 -2.13 119.26 120.85 2kkv h ALA 13 Ca -0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2kkv h ALA 13 Cb 1.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kkv h ALA 13 CO 0.07 0.36 -0.93 0.07 0.00 0.00 0.00 179.25 178.82 2kkv h ARG 14 N 0.71 0.19 0.00 0.00 0.11 -1.46 -3.19 114.38 110.75 2kkv h ARG 14 Ca 0.19 -0.23 0.03 0.00 0.10 0.00 0.00 59.98 60.07 2kkv h ARG 14 Cb -0.06 0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.05 2kkv h ARG 14 CO -0.04 0.99 -0.21 1.49 0.10 0.00 0.00 179.97 182.30 2kkv h GLU 15 N 0.10 -0.33 0.00 0.08 4.57 -1.39 0.30 114.58 117.91 2kkv h GLU 15 Ca -0.05 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 2kkv h GLU 15 Cb 1.58 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.23 2kkv h GLU 15 CO 0.14 -0.22 -0.60 0.11 -1.18 0.00 0.00 179.01 177.26 2kkv h TRP 16 N -0.34 0.00 0.00 0.92 5.08 -1.71 -3.27 115.95 116.63 2kkv h TRP 16 Ca 0.06 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.96 2kkv h TRP 16 Cb 0.42 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.57 2kkv h TRP 16 CO -0.26 0.60 -0.35 1.25 -1.28 0.00 0.00 178.44 178.40 2kkv h HIS 17 N 0.00 0.00 0.00 0.12 2.76 -1.31 -3.30 115.15 113.42 2kkv h HIS 17 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kkv h HIS 17 Cb 1.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.39 2kkv h HIS 17 CO 0.00 0.35 0.00 0.39 -1.30 0.00 0.00 177.93 177.37 2kkv n GLU 18 N -3.35 0.19 0.00 5.26 1.02 0.96 -0.29 120.64 124.44 2kkv n GLU 18 Ca 0.01 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 2kkv n GLU 18 Cb 0.56 -1.28 0.50 0.00 -0.02 0.00 0.00 31.44 31.20 2kkv n GLU 18 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kkv n SER 19 N -0.78 0.00 -2.07 1.62 3.41 -1.24 -4.96 113.62 109.60 2kkv n SER 19 Ca 0.03 0.18 -0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2kkv n SER 19 Cb 0.01 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2kkv n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kkv n ASN 20 N -1.37 -4.30 -4.09 4.04 2.85 0.60 -5.01 115.26 107.98 2kkv n ASN 20 Ca 0.08 0.68 -0.36 0.00 -0.11 0.00 0.00 54.58 54.87 2kkv n ASN 20 Cb 0.20 -3.07 -0.10 0.00 1.24 0.00 0.00 39.78 38.04 2kkv n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kkv s LYS 21 N -0.79 2.37 0.00 1.20 -0.14 -1.26 -4.94 119.74 116.19 2kkv s LYS 21 Ca -0.02 -2.38 0.00 0.00 -1.36 0.00 0.00 55.97 52.21 2kkv s LYS 21 Cb 0.00 -3.65 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 2kkv s LYS 21 CO 0.38 -1.14 0.00 -2.13 -0.76 0.00 0.00 175.35 171.69 2kkv n ARG 22 N 3.70 0.00 -1.91 1.68 0.00 -1.26 -4.84 116.66 114.03 2kkv n ARG 22 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.48 2kkv n ARG 22 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.81 2kkv n ARG 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2kkv s TRP 23 N 0.00 2.66 0.58 -0.14 0.23 -1.26 -5.01 118.94 116.00 2kkv s TRP 23 Ca 0.00 0.41 -0.05 0.00 -2.03 0.00 0.00 56.10 54.43 2kkv s TRP 23 Cb 0.00 -3.97 0.01 0.00 0.03 0.00 0.00 33.47 29.54 2kkv s TRP 23 CO 0.00 -3.78 0.89 -1.12 0.96 0.00 0.00 176.95 173.89 2kkv s SER 24 N 1.91 5.62 0.29 2.95 0.01 -1.26 -4.82 113.70 118.40 2kkv s SER 24 Ca 0.73 0.69 0.05 0.00 1.31 0.00 0.00 55.95 58.73 2kkv s SER 24 Cb -0.42 -1.70 0.45 0.00 0.21 0.00 0.00 66.02 64.55 2kkv s SER 24 CO 0.32 -1.04 1.71 1.05 0.41 0.00 0.00 173.24 175.70 2kkv h GLU 25 N -0.14 0.34 -0.15 12.44 9.09 -1.97 -0.45 114.58 133.74 2kkv h GLU 25 Ca -0.45 -0.15 0.04 0.00 0.05 0.00 0.00 59.36 58.85 2kkv h GLU 25 Cb 1.26 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.31 2kkv h GLU 25 CO 0.60 0.64 -0.08 0.22 0.05 0.00 0.00 179.01 180.45 2kkv h ASP 26 N 0.30 -0.26 0.85 3.06 3.58 -2.01 -2.43 116.42 119.51 2kkv h ASP 26 Ca 0.04 0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 2kkv h ASP 26 Cb 0.74 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2kkv h ASP 26 CO 0.06 -0.10 -0.54 0.45 -2.88 0.00 0.00 179.24 176.23 2kkv h HIS 27 N -0.07 0.00 -0.88 0.28 3.86 -1.90 -2.39 115.15 114.06 2kkv h HIS 27 Ca 0.09 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.41 2kkv h HIS 27 Cb 0.19 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.58 2kkv h HIS 27 CO -0.22 0.54 0.50 -0.09 0.86 0.00 0.00 177.93 179.52 2kkv h ARG 28 N 0.00 0.76 -0.00 2.45 1.12 -0.63 0.25 114.38 118.33 2kkv h ARG 28 Ca -0.01 -0.05 -0.22 0.00 -1.11 0.00 0.00 59.98 58.60 2kkv h ARG 28 Cb 1.11 -0.17 0.02 0.00 -0.01 0.00 0.00 29.97 30.91 2kkv h ARG 28 CO 0.07 0.50 -0.86 0.77 -3.11 0.00 0.00 179.97 177.34 2kkv h SER 29 N 0.78 0.77 -0.00 -3.80 0.02 -1.20 -2.94 113.55 107.18 2kkv h SER 29 Ca 0.44 -0.74 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2kkv h SER 29 Cb 0.49 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2kkv h SER 29 CO -0.29 1.41 -0.12 0.03 -1.14 0.00 0.00 176.83 176.73 2kkv h ARG 30 N 0.21 -0.19 0.00 3.45 3.08 -0.88 -2.79 114.38 117.26 2kkv h ARG 30 Ca -0.11 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2kkv h ARG 30 Cb 1.54 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2kkv h ARG 30 CO 0.17 -0.12 0.00 1.55 -1.07 0.00 0.00 179.97 180.50 2kkv n VAL 31 N -5.24 0.66 -0.31 2.04 3.14 0.82 -4.00 118.33 115.43 2kkv n VAL 31 Ca -0.05 -0.08 0.18 0.00 -2.96 0.00 0.00 64.34 61.43 2kkv n VAL 31 Cb 0.17 -0.80 0.44 0.00 -1.06 0.00 0.00 33.84 32.59 2kkv n VAL 31 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2kkv h LEU 32 N 0.00 0.57 0.05 6.55 5.85 -1.30 0.47 115.31 127.50 2kkv h LEU 32 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kkv h LEU 32 Cb 0.58 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2kkv h LEU 32 CO 0.00 0.17 -0.03 0.03 -0.34 0.00 0.00 178.44 178.28 2kkv h ARG 33 N 0.54 -0.07 0.00 1.25 -0.00 -1.78 -2.57 114.38 111.75 2kkv h ARG 33 Ca 0.56 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.94 2kkv h ARG 33 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.16 2kkv h ARG 33 CO -0.30 0.02 -0.48 -0.92 0.00 0.00 0.00 179.97 178.29 2kkv h TYR 34 N -0.15 0.00 0.08 3.04 3.20 -1.16 -2.91 116.97 119.07 2kkv h TYR 34 Ca -0.01 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2kkv h TYR 34 Cb 0.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2kkv h TYR 34 CO -0.05 0.48 -0.10 1.25 -1.64 0.00 0.00 178.16 178.10 2kkv h LEU 35 N 0.00 -0.28 -0.69 2.82 6.46 0.13 -0.43 115.31 123.31 2kkv h LEU 35 Ca -0.00 0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 57.65 2kkv h LEU 35 Cb 0.92 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 2kkv h LEU 35 CO 0.06 -0.16 -0.64 1.05 -0.62 0.00 0.00 178.44 178.13 2kkv h GLU 36 N -0.22 0.06 0.00 1.25 4.11 -1.45 0.25 114.58 118.58 2kkv h GLU 36 Ca 0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 2kkv h GLU 36 Cb 0.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kkv h GLU 36 CO -0.05 0.68 -0.19 -0.07 0.07 0.00 0.00 179.01 179.45 2kkv h LEU 37 N 0.04 0.00 0.00 3.06 3.38 -1.27 -0.36 115.31 120.15 2kkv h LEU 37 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2kkv h LEU 37 Cb 1.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2kkv h LEU 37 CO 0.09 0.19 -2.48 0.00 0.09 0.00 0.00 178.44 176.33 2kkv n TYR 38 N -3.41 0.00 -0.07 1.13 9.36 -0.20 -4.61 117.16 119.36 2kkv n TYR 38 Ca -0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.13 2kkv n TYR 38 Cb 0.38 -0.97 -0.15 0.00 -0.63 0.00 0.00 39.34 37.97 2kkv n TYR 38 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2kkv n ILE 39 N -3.71 1.40 -3.35 2.97 5.41 0.86 -4.64 119.36 118.30 2kkv n ILE 39 Ca -0.49 -0.82 -0.27 0.00 1.00 0.00 0.00 62.75 62.17 2kkv n ILE 39 Cb 0.93 -0.63 -0.07 0.00 -0.71 0.00 0.00 39.64 39.16 2kkv n ILE 39 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2kkv n PHE 40 N -2.82 3.67 0.06 1.39 3.72 -0.15 -4.82 117.46 118.50 2kkv n PHE 40 Ca -0.26 -4.13 -0.08 0.00 -0.05 0.00 0.00 57.45 52.93 2kkv n PHE 40 Cb 1.09 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 39.03 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kkv h PRO 41 N 3.99 -0.23 0.00 -1.08 0.11 -1.81 -3.34 132.00 129.63 2kkv h PRO 41 Ca 0.19 0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.09 2kkv h PRO 41 Cb 0.64 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 2kkv h PRO 41 CO 0.83 0.07 -1.96 0.72 -0.21 0.00 0.00 178.00 177.45 2kkv n HIS 42 N -4.93 0.00 1.24 0.65 8.25 -1.26 -4.64 115.22 114.53 2kkv n HIS 42 Ca -0.06 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.46 2kkv n HIS 42 Cb 0.20 -0.66 0.20 0.00 1.12 0.00 0.00 29.99 30.85 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kkv n ILE 43 N -2.46 0.30 1.44 1.59 -5.35 -1.26 -3.55 119.36 110.08 2kkv n ILE 43 Ca -0.20 -0.33 0.15 0.00 -0.27 0.00 0.00 62.75 62.10 2kkv n ILE 43 Cb 0.88 0.18 0.72 0.00 -1.74 0.00 0.00 39.64 39.68 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kkv n GLY 44 N 0.95 -1.17 0.03 3.28 0.00 -1.25 -2.71 105.19 104.31 2kkv n GLY 44 Ca 0.11 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kkv n SER 45 N -1.18 0.45 -4.77 1.61 3.41 -1.23 -4.90 113.62 107.01 2kkv n SER 45 Ca 0.15 0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.51 2kkv n SER 45 Cb 0.25 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kkv s SER 46 N -3.48 6.81 0.13 4.04 0.01 -1.10 -5.03 113.70 115.08 2kkv s SER 46 Ca 0.11 2.53 -0.04 0.00 1.31 0.00 0.00 55.95 59.86 2kkv s SER 46 Cb 0.16 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2kkv s SER 46 CO 0.64 -0.49 0.34 -0.62 0.41 0.00 0.00 173.24 173.52 2kkv s ASP 47 N -0.71 6.46 0.56 2.44 -1.08 -1.26 -4.98 116.67 118.09 2kkv s ASP 47 Ca 0.50 0.52 0.36 0.00 -0.52 0.00 0.00 52.55 53.40 2kkv s ASP 47 Cb -0.36 -2.06 1.61 0.00 -1.46 0.00 0.00 42.92 40.65 2kkv s ASP 47 CO 0.47 0.07 2.06 -0.29 0.52 0.00 0.00 175.17 178.01 2kkv h ILE 48 N 2.03 0.00 -0.06 4.11 2.10 -1.95 -2.16 117.51 121.58 2kkv h ILE 48 Ca -0.46 -0.36 -0.12 0.00 1.08 0.00 0.00 64.86 65.00 2kkv h ILE 48 Cb 1.16 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 2kkv h ILE 48 CO 0.73 0.00 -0.52 -0.09 -1.08 0.00 0.00 178.15 177.19 2kkv h ARG 49 N 0.00 0.17 -2.39 2.19 2.43 -1.96 -3.39 114.38 111.43 2kkv h ARG 49 Ca 0.00 -0.10 -0.52 0.00 -0.81 0.00 0.00 59.98 58.55 2kkv h ARG 49 Cb 0.37 0.01 -0.37 0.00 -0.42 0.00 0.00 29.97 29.56 2kkv h ARG 49 CO 0.00 0.65 -0.81 -1.14 -1.51 0.00 0.00 179.97 177.16 2kkv s GLN 50 N -3.89 0.59 0.35 0.20 -0.44 -0.82 -4.90 119.66 110.75 2kkv s GLN 50 Ca -0.03 -1.25 0.02 0.00 -2.50 0.00 0.00 55.36 51.60 2kkv s GLN 50 Cb 0.13 -1.14 -0.02 0.00 -1.64 0.00 0.00 33.01 30.33 2kkv s GLN 50 CO 0.78 -1.22 0.53 -1.17 0.50 0.00 0.00 175.29 174.71 2kkv s LEU 51 N 1.11 3.98 0.46 3.68 2.96 -1.20 -4.09 118.68 125.59 2kkv s LEU 51 Ca 0.19 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 2kkv s LEU 51 Cb -0.19 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.36 2kkv s LEU 51 CO -0.01 -0.36 0.45 -0.54 -1.32 0.00 0.00 176.35 174.57 2kkv s LYS 52 N -4.29 2.49 0.00 1.98 1.02 -1.26 -4.93 119.74 114.74 2kkv s LYS 52 Ca 0.41 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2kkv s LYS 52 Cb -0.10 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2kkv s LYS 52 CO 0.35 -0.35 0.00 0.25 -0.92 0.00 0.00 175.35 174.67 2kkv n THR 53 N -1.69 0.00 0.00 2.17 -2.24 -1.26 -4.22 114.28 107.04 2kkv n THR 53 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2kkv n THR 53 Cb 0.62 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kkv n SER 54 N -0.16 0.00 0.17 3.42 7.64 -1.26 -2.02 113.62 121.41 2kkv n SER 54 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2kkv n SER 54 Cb 0.00 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kkv h HIS 55 N 0.00 0.00 0.00 1.43 -0.00 -2.00 -2.16 115.15 112.41 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kkv h HIS 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2kkv h HIS 55 CO 0.00 0.45 0.00 1.47 -0.00 0.00 0.00 177.93 179.85 2kkv n LEU 56 N -3.95 0.41 0.20 2.43 -0.00 -0.86 -3.20 117.00 112.03 2kkv n LEU 56 Ca -0.02 0.55 0.06 0.00 -0.00 0.00 0.00 56.01 56.61 2kkv n LEU 56 Cb 0.48 -0.44 0.39 0.00 -0.00 0.00 0.00 43.42 43.85 2kkv n LEU 56 CO 0.39 -0.19 0.73 0.25 -0.00 0.00 0.00 177.39 178.58 2kkv h LEU 57 N 0.00 0.00 -0.14 1.47 5.85 -1.60 -3.29 115.31 117.60 2kkv h LEU 57 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2kkv h LEU 57 Cb 0.54 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2kkv h LEU 57 CO 0.00 0.34 -0.10 0.00 -0.34 0.00 0.00 178.44 178.34 2kkv h ALA 58 N 1.66 0.02 -0.61 1.25 0.00 -1.67 -0.62 119.26 119.29 2kkv h ALA 58 Ca -0.00 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2kkv h ALA 58 Cb 0.78 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2kkv h ALA 58 CO 0.04 -0.54 0.05 -1.35 0.00 0.00 0.00 179.25 177.45 2kkv h PRO 59 N -0.10 0.16 -0.27 0.00 0.11 -1.81 -1.03 132.00 129.05 2kkv h PRO 59 Ca 0.09 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2kkv h PRO 59 Cb 0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2kkv h PRO 59 CO -0.21 0.10 -0.02 0.82 -0.21 0.00 0.00 178.00 178.49 2kkv h ILE 60 N 0.16 1.18 0.00 4.15 1.08 -1.56 -2.09 117.51 120.43 2kkv h ILE 60 Ca 0.32 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 2kkv h ILE 60 Cb 0.52 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2kkv h ILE 60 CO -0.49 0.24 -0.17 0.11 -0.69 0.00 0.00 178.15 177.15 2kkv h LYS 61 N 0.40 0.00 -0.96 2.37 1.79 0.16 -1.87 116.57 118.46 2kkv h LYS 61 Ca 0.09 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.69 2kkv h LYS 61 Cb 0.31 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.88 2kkv h LYS 61 CO 0.01 0.17 0.61 0.93 -1.08 0.00 0.00 179.45 180.09 2kkv h GLU 62 N 0.00 0.84 -0.03 3.15 5.08 -0.70 0.11 114.58 123.03 2kkv h GLU 62 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2kkv h GLU 62 Cb 0.63 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kkv h GLU 62 CO 0.02 0.56 -0.05 0.28 -1.00 0.00 0.00 179.01 178.82 2kkv h VAL 63 N 0.87 1.41 -0.92 3.13 2.07 -1.45 -3.19 116.25 118.17 2kkv h VAL 63 Ca 0.48 -1.30 0.16 0.00 0.82 0.00 0.00 66.70 66.86 2kkv h VAL 63 Cb 0.60 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 2kkv h VAL 63 CO -0.25 0.35 0.59 -0.78 0.02 0.00 0.00 177.57 177.50 2kkv h ASP 64 N -0.41 0.64 -0.61 0.57 1.82 -1.15 0.25 116.42 117.53 2kkv h ASP 64 Ca 0.00 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 2kkv h ASP 64 Cb 0.60 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.50 2kkv h ASP 64 CO 0.01 0.30 0.17 0.74 -1.61 0.00 0.00 179.24 178.85 2kkv h THR 65 N 0.66 1.24 -0.28 2.25 2.02 -0.83 -2.42 112.91 115.56 2kkv h THR 65 Ca 0.47 -0.88 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 2kkv h THR 65 Cb 0.82 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2kkv h THR 65 CO -0.23 0.34 -0.39 -1.28 0.37 0.00 0.00 175.52 174.33 2kkv h SER 66 N 0.95 0.83 0.00 4.18 0.87 -0.86 -3.50 113.55 116.02 2kkv h SER 66 Ca 0.21 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2kkv h SER 66 Cb 0.31 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kkv h SER 66 CO -0.00 1.17 0.00 0.61 -0.53 0.00 0.00 176.83 178.08 2kkv n GLY 67 N 0.26 -0.18 2.55 5.77 0.00 0.63 -5.04 105.19 109.19 2kkv n GLY 67 Ca -0.04 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 2kkv n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kkv n LYS 68 N 0.00 -2.37 0.03 1.61 5.02 -1.26 -3.15 118.16 118.03 2kkv n LYS 68 Ca 0.00 0.71 0.03 0.00 -2.02 0.00 0.00 58.31 57.03 2kkv n LYS 68 Cb 0.00 -5.35 0.40 0.00 -0.02 0.00 0.00 35.03 30.06 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 2kkv h HIS 69 N -0.17 0.46 0.18 2.13 2.07 -1.87 0.07 115.15 118.02 2kkv h HIS 69 Ca -0.37 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.13 2kkv h HIS 69 Cb 1.27 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2kkv h HIS 69 CO 0.65 0.36 -0.09 0.22 -3.07 0.00 0.00 177.93 176.01 2kkv h ASP 70 N 0.48 -0.20 -0.10 3.10 1.82 -1.98 -1.97 116.42 117.57 2kkv h ASP 70 Ca 0.12 -0.30 -0.08 0.00 -0.39 0.00 0.00 57.03 56.38 2kkv h ASP 70 Cb 0.08 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2kkv h ASP 70 CO -0.01 0.23 -0.18 1.62 -1.61 0.00 0.00 179.24 179.29 2kkv h VAL 71 N -0.69 1.25 0.14 2.25 3.04 -1.90 -1.07 116.25 119.28 2kkv h VAL 71 Ca -0.02 -1.13 -0.01 0.00 -1.01 0.00 0.00 66.70 64.53 2kkv h VAL 71 Cb 0.49 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 2kkv h VAL 71 CO 0.04 0.36 -0.07 0.00 -1.01 0.00 0.00 177.57 176.90 2kkv h ALA 72 N 1.37 -0.19 -0.56 3.17 0.00 -0.99 0.11 119.26 122.17 2kkv h ALA 72 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kkv h ALA 72 Cb 0.57 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2kkv h ALA 72 CO 0.04 -0.60 0.29 1.96 0.00 0.00 0.00 179.25 180.94 2kkv h GLN 73 N -0.22 0.80 -0.61 0.00 1.08 -1.13 0.16 115.11 115.20 2kkv h GLN 73 Ca -0.02 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 2kkv h GLN 73 Cb 0.17 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2kkv h GLN 73 CO 0.03 0.63 0.12 -0.09 -0.95 0.00 0.00 178.83 178.57 2kkv h ARG 74 N 0.76 0.98 -0.08 1.46 9.65 -1.07 -2.87 114.38 123.19 2kkv h ARG 74 Ca 0.20 -0.23 -0.14 0.00 -1.10 0.00 0.00 59.98 58.70 2kkv h ARG 74 Cb 0.08 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2kkv h ARG 74 CO -0.03 0.89 -0.49 -0.07 2.80 0.00 0.00 179.97 183.07 2kkv h LEU 75 N 0.93 0.58 -1.56 3.80 -0.00 -0.37 -3.23 115.31 115.45 2kkv h LEU 75 Ca 0.19 -0.66 0.09 0.00 -0.00 0.00 0.00 57.88 57.50 2kkv h LEU 75 Cb 0.38 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 2kkv h LEU 75 CO 0.01 1.14 0.42 0.06 -0.00 0.00 0.00 178.44 180.07 2kkv h GLN 76 N 0.05 0.50 -0.27 1.13 3.07 -0.67 -0.99 115.11 117.93 2kkv h GLN 76 Ca -0.04 -0.03 0.08 0.00 0.09 0.00 0.00 58.65 58.75 2kkv h GLN 76 Cb 1.14 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.58 2kkv h GLN 76 CO 0.10 0.33 0.42 0.37 0.09 0.00 0.00 178.83 180.14 2kkv h GLN 77 N 0.51 0.00 -0.41 0.06 4.15 -1.52 -0.31 115.11 117.59 2kkv h GLN 77 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2kkv h GLN 77 Cb 0.46 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 2kkv h GLN 77 CO -0.09 0.00 0.26 0.07 -1.93 0.00 0.00 178.83 177.14 2kkv h ARG 78 N 0.00 0.54 -0.38 1.69 -0.00 -1.34 0.14 114.38 115.03 2kkv h ARG 78 Ca 0.13 -0.04 -0.16 0.00 -0.00 0.00 0.00 59.98 59.91 2kkv h ARG 78 Cb 0.97 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 30.82 2kkv h ARG 78 CO -0.00 0.37 -0.39 0.28 -0.00 0.00 0.00 179.97 180.23 2kkv h VAL 79 N 0.55 1.27 -0.26 0.08 2.07 -1.24 -2.28 116.25 116.44 2kkv h VAL 79 Ca 0.15 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.02 2kkv h VAL 79 Cb -0.05 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2kkv h VAL 79 CO -0.03 0.52 -0.22 0.74 0.02 0.00 0.00 177.57 178.60 2kkv h THR 80 N 0.74 1.26 -0.62 2.57 2.02 -1.32 -2.27 112.91 115.29 2kkv h THR 80 Ca 0.06 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 2kkv h THR 80 Cb 0.98 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 2kkv h THR 80 CO 0.10 0.38 0.12 0.00 0.37 0.00 0.00 175.52 176.49 2kkv h ALA 81 N 1.34 1.05 -0.73 6.16 0.00 -0.59 -2.34 119.26 124.15 2kkv h ALA 81 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kkv h ALA 81 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kkv h ALA 81 CO 0.04 0.62 0.39 0.82 0.00 0.00 0.00 179.25 181.13 2kkv h ILE 82 N 0.94 1.22 -0.45 0.00 1.08 -1.01 -2.37 117.51 116.92 2kkv h ILE 82 Ca 0.19 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 2kkv h ILE 82 Cb 0.37 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 2kkv h ILE 82 CO 0.01 0.25 0.30 0.24 -0.69 0.00 0.00 178.15 178.26 2kkv h MET 83 N 1.00 0.36 0.86 2.37 2.86 -0.90 0.41 114.93 121.89 2kkv h MET 83 Ca 0.25 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2kkv h MET 83 Cb 0.05 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.63 2kkv h MET 83 CO -0.04 0.24 -0.41 -0.09 1.06 0.00 0.00 176.91 177.66 2kkv h ARG 84 N 0.37 -1.12 -0.37 1.72 2.43 -1.02 -1.46 114.38 114.93 2kkv h ARG 84 Ca 0.19 0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2kkv h ARG 84 Cb 0.30 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2kkv h ARG 84 CO -0.05 -0.74 0.03 -0.92 -1.51 0.00 0.00 179.97 176.78 2kkv h TYR 85 N -1.21 0.58 -0.07 2.20 5.03 -1.39 -0.51 116.97 121.60 2kkv h TYR 85 Ca -0.12 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.14 2kkv h TYR 85 Cb 0.89 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 39.00 2kkv h TYR 85 CO -0.01 0.55 0.04 0.00 -1.32 0.00 0.00 178.16 177.42 2kkv h ALA 86 N 1.49 0.09 -0.07 1.82 0.00 -0.83 0.12 119.26 121.88 2kkv h ALA 86 Ca 0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2kkv h ALA 86 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kkv h ALA 86 CO 0.01 -0.41 -0.61 0.28 0.00 0.00 0.00 179.25 178.51 2kkv h VAL 87 N 0.08 1.39 0.00 0.00 2.07 -0.99 -2.27 116.25 116.53 2kkv h VAL 87 Ca 0.02 -1.99 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 2kkv h VAL 87 Cb 0.00 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2kkv h VAL 87 CO -0.01 0.59 -0.14 1.56 0.02 0.00 0.00 177.57 179.60 2kkv h GLN 88 N 0.18 0.00 0.00 1.57 4.20 -0.80 -1.70 115.11 118.56 2kkv h GLN 88 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kkv h GLN 88 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2kkv h GLN 88 CO 0.10 0.14 0.00 -1.71 -0.67 0.00 0.00 178.83 176.68 2kkv n ASN 89 N -3.57 0.00 -1.46 1.46 4.05 0.38 -4.89 115.26 111.24 2kkv n ASN 89 Ca -0.01 -0.33 -0.15 0.00 0.45 0.00 0.00 54.58 54.54 2kkv n ASN 89 Cb 0.27 -0.19 -0.03 0.00 1.23 0.00 0.00 39.78 41.07 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2kkv n ASP 90 N -1.19 -4.59 -0.00 1.20 8.00 -0.64 -4.86 116.55 114.47 2kkv n ASP 90 Ca 0.14 0.14 0.08 0.00 0.71 0.00 0.00 54.79 55.86 2kkv n ASP 90 Cb 0.16 -3.60 -0.10 0.00 -0.02 0.00 0.00 41.12 37.57 2kkv n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkv n TYR 91 N -3.44 0.00 -3.89 1.24 0.18 -1.26 -4.95 117.16 105.05 2kkv n TYR 91 Ca -0.16 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.50 2kkv n TYR 91 Cb 0.57 -0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 39.40 2kkv n TYR 91 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 2kkv s ILE 92 N -2.62 0.03 -0.56 -3.48 -4.36 -1.26 -5.11 121.20 103.84 2kkv s ILE 92 Ca 0.06 -0.22 0.04 0.00 -0.26 0.00 0.00 60.65 60.27 2kkv s ILE 92 Cb 0.13 -0.10 0.14 0.00 1.25 0.00 0.00 42.46 43.88 2kkv s ILE 92 CO 0.70 -0.12 0.32 -0.62 0.24 0.00 0.00 174.94 175.46 2kkv s ASP 93 N -0.35 4.33 0.09 4.36 2.15 -1.26 -4.67 116.67 121.32 2kkv s ASP 93 Ca -0.04 -3.20 0.00 0.00 0.43 0.00 0.00 52.55 49.74 2kkv s ASP 93 Cb -0.02 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 2kkv s ASP 93 CO -0.00 -0.19 0.00 -1.20 -0.17 0.00 0.00 175.17 173.60 2kkv n SER 94 N 2.84 -0.83 -2.82 -0.34 7.64 -1.26 -5.10 113.62 113.75 2kkv n SER 94 Ca 0.10 0.19 -0.07 0.00 1.01 0.00 0.00 58.87 60.09 2kkv n SER 94 Cb 0.33 1.15 0.01 0.00 -1.01 0.00 0.00 64.21 64.69 2kkv n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kkv n ASN 95 N -2.66 -7.78 -2.31 6.43 4.05 -1.26 -5.06 115.26 106.66 2kkv n ASN 95 Ca 0.00 0.48 0.00 0.00 0.45 0.00 0.00 54.58 55.51 2kkv n ASN 95 Cb 0.00 -5.27 0.00 0.00 1.23 0.00 0.00 39.78 35.74 2kkv n ASN 95 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2kkv n PRO 96 N -0.41 0.18 -0.88 1.20 -0.02 -1.26 -4.40 135.00 129.41 2kkv n PRO 96 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2kkv n PRO 96 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkv n ALA 97 N -3.00 0.00 -0.18 3.55 0.00 -1.26 -4.84 120.51 114.78 2kkv n ALA 97 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2kkv n ALA 97 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 2kkv n ALA 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kkv h SER 98 N 0.00 0.92 0.35 0.00 4.64 -1.93 -2.51 113.55 115.02 2kkv h SER 98 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2kkv h SER 98 Cb 0.51 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2kkv h SER 98 CO 0.00 1.00 -0.40 -0.67 -0.87 0.00 0.00 176.83 175.89 2kkv n ASP 99 N -4.28 0.79 -0.01 4.97 2.03 -1.26 -4.18 116.55 114.61 2kkv n ASP 99 Ca 0.01 -0.59 -0.12 0.00 0.52 0.00 0.00 54.79 54.61 2kkv n ASP 99 Cb 0.33 0.22 -0.10 0.00 -0.72 0.00 0.00 41.12 40.85 2kkv n ASP 99 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2kkv h MET 100 N 0.60 -0.06 -3.16 -0.67 4.05 -1.83 -3.34 114.93 110.52 2kkv h MET 100 Ca 0.00 0.00 -0.74 0.00 -0.28 0.00 0.00 59.70 58.69 2kkv h MET 100 Cb 0.51 0.01 -0.33 0.00 -0.80 0.00 0.00 31.60 30.99 2kkv h MET 100 CO 0.00 0.53 0.18 0.00 0.23 0.00 0.00 176.91 177.85 2kkv n ALA 101 N -2.48 4.24 -3.00 0.39 0.00 -1.08 -5.01 120.51 113.57 2kkv n ALA 101 Ca -0.09 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.67 2kkv n ALA 101 Cb 0.31 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2kkv n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkv n GLY 102 N 2.00 6.82 3.56 0.00 0.00 -1.26 -4.95 105.19 111.37 2kkv n GLY 102 Ca 0.24 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2kkv n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv s ALA 103 N -2.00 2.15 0.00 4.61 0.00 -1.26 -4.65 121.76 120.61 2kkv s ALA 103 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.09 2kkv s ALA 103 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2kkv s ALA 103 CO 0.00 -4.27 0.00 -0.11 0.00 0.00 0.00 175.76 171.38 2kkv n LEU 104 N 11.64 0.00 -1.15 0.00 -0.00 -1.26 -4.80 117.00 121.42 2kkv n LEU 104 Ca 0.37 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.46 2kkv n LEU 104 Cb 0.49 -0.17 0.29 0.00 -0.00 0.00 0.00 43.42 44.02 2kkv n LEU 104 CO 0.63 -0.31 0.75 -0.24 -0.00 0.00 0.00 177.39 178.21 2kkv n SER 105 N -2.04 4.22 -3.92 1.96 2.88 -1.26 -4.98 113.62 110.48 2kkv n SER 105 Ca 0.00 -2.74 -0.13 0.00 -1.33 0.00 0.00 58.87 54.67 2kkv n SER 105 Cb 0.00 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 62.85 2kkv n SER 105 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2kkv s THR 106 N -2.35 0.00 0.25 2.46 -1.32 -1.26 -5.12 115.64 108.30 2kkv s THR 106 Ca 0.43 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2kkv s THR 106 Cb 0.32 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 2kkv s THR 106 CO 0.14 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.96 2kkv n THR 107 N -0.38 -0.74 -3.11 5.08 -1.04 -1.26 -4.58 114.28 108.25 2kkv n THR 107 Ca 0.02 0.48 -0.15 0.00 -2.04 0.00 0.00 64.05 62.37 2kkv n THR 107 Cb 0.64 -0.76 0.01 0.00 -1.82 0.00 0.00 70.33 68.41 2kkv n THR 107 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kkv n LYS 108 N -2.51 -2.01 -0.01 -2.82 3.00 -1.26 -5.00 118.16 107.55 2kkv n LYS 108 Ca -0.02 1.74 -0.03 0.00 -0.00 0.00 0.00 58.31 60.00 2kkv n LYS 108 Cb 0.24 -4.64 -0.01 0.00 0.00 0.00 0.00 35.03 30.62 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kkv n ALA 109 N -0.76 1.86 -3.52 3.14 0.00 -1.26 -5.07 120.51 114.90 2kkv n ALA 109 Ca 0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 2kkv n ALA 109 Cb 0.54 0.10 0.02 0.00 0.00 0.00 0.00 19.45 20.10 2kkv n ALA 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kkv n ARG 110 N -3.46 -1.75 -3.04 0.00 0.00 -1.26 -4.98 116.66 102.17 2kkv n ARG 110 Ca -0.04 1.22 0.01 0.00 -0.00 0.00 0.00 57.85 59.03 2kkv n ARG 110 Cb 0.16 -2.87 -0.00 0.00 0.00 0.00 0.00 32.46 29.75 2kkv n ARG 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2kkv s HIS 111 N -2.38 -1.33 -0.29 -0.14 2.46 -1.26 -5.14 115.29 107.20 2kkv s HIS 111 Ca 0.17 0.12 -0.14 0.00 0.47 0.00 0.00 55.06 55.68 2kkv s HIS 111 Cb -0.02 0.25 0.11 0.00 -0.13 0.00 0.00 32.58 32.79 2kkv s HIS 111 CO 0.86 -0.92 0.71 -0.47 -2.47 0.00 0.00 174.74 172.46 2kkv s TYR 112 N 1.76 -1.12 -0.64 3.88 6.14 -1.26 -5.10 117.35 121.01 2kkv s TYR 112 Ca 0.17 2.08 -0.27 0.00 0.64 0.00 0.00 57.07 59.70 2kkv s TYR 112 Cb -0.01 0.67 -0.01 0.00 0.42 0.00 0.00 41.96 43.03 2kkv s TYR 112 CO -0.09 -0.55 1.75 -2.14 0.64 0.00 0.00 175.55 175.16 2kkv s PRO 113 N 2.16 2.73 0.00 4.97 0.02 -1.26 -4.80 135.00 138.82 2kkv s PRO 113 Ca -0.08 0.44 0.23 0.00 0.02 0.00 0.00 61.00 61.62 2kkv s PRO 113 Cb -0.08 -4.35 0.41 0.00 0.02 0.00 0.00 34.50 30.50 2kkv s PRO 113 CO -0.19 -2.62 1.39 1.47 -0.33 0.00 0.00 177.00 176.72 2kkv n LEU 114 N 12.11 3.31 -4.88 -5.54 -0.00 -1.26 -4.94 117.00 115.80 2kkv n LEU 114 Ca 0.17 -1.37 -0.28 0.00 -0.00 0.00 0.00 56.01 54.53 2kkv n LEU 114 Cb 0.51 -0.20 -0.04 0.00 -0.00 0.00 0.00 43.42 43.69 2kkv n LEU 114 CO 0.71 0.69 -0.17 -1.83 -0.00 0.00 0.00 177.39 176.79 2kkv s GLU 115 N -1.60 3.23 0.22 1.47 4.04 -1.26 -5.12 118.70 119.69 2kkv s GLU 115 Ca 0.37 -0.62 -0.08 0.00 0.04 0.00 0.00 54.97 54.68 2kkv s GLU 115 Cb 0.22 -2.88 -0.02 0.00 0.02 0.00 0.00 34.13 31.47 2kkv s GLU 115 CO 0.31 0.55 0.33 -1.01 -1.84 0.00 0.00 175.26 173.60 2kkv s HIS 116 N -1.61 0.69 0.03 4.83 3.76 -1.26 -5.18 115.29 116.55 2kkv s HIS 116 Ca 0.33 -0.99 0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2kkv s HIS 116 Cb -0.12 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 2kkv s HIS 116 CO 0.26 -0.84 -0.06 -3.38 -0.85 0.00 0.00 174.74 169.87 2kkv s HIS 117 N -4.07 0.54 -0.23 1.40 -3.43 -1.26 -5.14 115.29 103.09 2kkv s HIS 117 Ca 0.29 -0.38 -0.14 0.00 -0.80 0.00 0.00 55.06 54.03 2kkv s HIS 117 Cb 0.03 -0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 30.80 2kkv s HIS 117 CO 0.10 -0.07 0.31 -1.01 -2.00 0.00 0.00 174.74 172.07 2kkv s HIS 118 N -1.02 3.32 -0.30 0.38 3.76 -1.26 -5.04 115.29 115.14 2kkv s HIS 118 Ca -0.07 0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 55.25 2kkv s HIS 118 Cb -0.08 -2.46 0.10 0.00 1.11 0.00 0.00 32.58 31.25 2kkv s HIS 118 CO 0.00 -0.05 0.09 -1.58 -0.85 0.00 0.00 174.74 172.35 2kkv s HIS 119 N 1.46 1.53 -0.40 1.40 5.04 -1.26 -5.11 115.29 117.95 2kkv s HIS 119 Ca 0.14 -1.59 -0.16 0.00 -1.54 0.00 0.00 55.06 51.91 2kkv s HIS 119 Cb -0.15 -1.59 0.01 0.00 0.04 0.00 0.00 32.58 30.90 2kkv s HIS 119 CO 0.08 -0.85 0.35 -1.58 -2.34 0.00 0.00 174.74 170.40 2kkv s HIS 120 N 1.68 3.21 -0.91 3.88 2.46 -1.26 -5.36 115.29 118.98 2kkv s HIS 120 Ca 0.09 -0.40 0.07 0.00 0.47 0.00 0.00 55.06 55.29 2kkv s HIS 120 Cb -0.17 -2.70 0.06 0.00 -0.13 0.00 0.00 32.58 29.63 2kkv s HIS 120 CO -0.25 -0.59 0.73 -2.39 -2.47 0.00 0.00 174.74 169.77