#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv s GLU 2 N 0.00 4.00 0.14 0.03 8.01 -1.26 -5.08 118.70 124.54 2kkv s GLU 2 Ca 0.00 -0.31 -0.26 0.00 0.01 0.00 0.00 54.97 54.41 2kkv s GLU 2 Cb 0.00 -3.46 -0.07 0.00 -4.31 0.00 0.00 34.13 26.29 2kkv s GLU 2 CO 0.00 0.06 0.79 1.21 0.01 0.00 0.00 175.26 177.33 2kkv s ASN 3 N 1.02 7.37 0.60 -0.19 3.84 -1.26 -4.87 114.94 121.44 2kkv s ASN 3 Ca 0.06 1.62 0.00 0.00 0.21 0.00 0.00 52.86 54.76 2kkv s ASN 3 Cb -0.14 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 2kkv s ASN 3 CO 0.04 0.15 0.00 -0.24 -2.79 0.00 0.00 177.10 174.26 2kkv n SER 4 N 1.92 -0.41 0.00 -4.21 2.88 -1.26 -4.98 113.62 107.56 2kkv n SER 4 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2kkv n SER 4 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2kkv n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkv n GLY 5 N 0.00 -0.39 3.40 0.46 0.00 -1.26 -5.06 105.19 102.34 2kkv n GLY 5 Ca 0.00 0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.62 -0.84 4.61 0.00 -1.26 -4.98 121.76 122.91 2kkv s ALA 6 Ca 0.00 -2.91 -0.25 0.00 0.00 0.00 0.00 51.96 48.80 2kkv s ALA 6 Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 2kkv s ALA 6 CO 0.00 -2.68 1.67 0.71 0.00 0.00 0.00 175.76 175.46 2kkv s TYR 7 N 1.81 2.06 0.38 0.00 2.02 -1.26 -4.79 117.35 117.56 2kkv s TYR 7 Ca 0.26 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.12 2kkv s TYR 7 Cb -0.08 -4.34 0.02 0.00 -0.40 0.00 0.00 41.96 37.16 2kkv s TYR 7 CO -0.08 -1.98 0.13 2.41 -1.57 0.00 0.00 175.55 174.46 2kkv n THR 8 N 7.19 0.00 -0.29 -0.71 -1.04 -1.26 -4.99 114.28 113.19 2kkv n THR 8 Ca 0.27 -1.68 0.02 0.00 -2.04 0.00 0.00 64.05 60.62 2kkv n THR 8 Cb 0.50 0.13 0.16 0.00 -1.82 0.00 0.00 70.33 69.29 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kkv h PHE 9 N 0.94 0.84 -0.04 -1.42 3.57 -2.00 -1.93 116.94 116.90 2kkv h PHE 9 Ca -0.28 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.10 2kkv h PHE 9 Cb 0.93 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2kkv h PHE 9 CO 0.00 0.36 -0.62 1.05 -2.23 0.00 0.00 178.31 176.87 2kkv h GLU 10 N 0.79 0.15 -0.01 1.11 -0.00 -1.96 -2.75 114.58 111.91 2kkv h GLU 10 Ca 0.38 -0.11 0.00 0.00 -0.00 0.00 0.00 59.36 59.64 2kkv h GLU 10 Cb 0.33 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.09 2kkv h GLU 10 CO -0.23 0.72 0.01 1.15 -0.00 0.00 0.00 179.01 180.65 2kkv h THR 11 N 0.11 1.00 -0.76 -1.06 2.02 -1.67 0.13 112.91 112.69 2kkv h THR 11 Ca -0.01 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2kkv h THR 11 Cb 1.12 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2kkv h THR 11 CO 0.09 0.00 0.27 0.40 0.37 0.00 0.00 175.52 176.66 2kkv h ILE 12 N 0.01 1.26 -0.32 3.11 1.08 -1.48 -2.70 117.51 118.47 2kkv h ILE 12 Ca 0.00 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 63.60 2kkv h ILE 12 Cb 0.00 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2kkv h ILE 12 CO -0.00 0.34 0.08 0.00 -0.69 0.00 0.00 178.15 177.88 2kkv h ALA 13 N 1.19 0.42 -0.31 1.87 0.00 -1.19 -3.08 119.26 118.16 2kkv h ALA 13 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kkv h ALA 13 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kkv h ALA 13 CO -0.02 0.09 0.03 -0.09 0.00 0.00 0.00 179.25 179.26 2kkv h ARG 14 N 0.36 0.46 0.11 0.00 2.43 -0.55 -1.53 114.38 115.66 2kkv h ARG 14 Ca 0.10 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2kkv h ARG 14 Cb 0.29 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2kkv h ARG 14 CO 0.00 0.47 -0.37 1.49 -1.51 0.00 0.00 179.97 180.05 2kkv h GLU 15 N 0.45 -0.58 0.05 0.20 4.57 -1.39 0.45 114.58 118.33 2kkv h GLU 15 Ca 0.10 0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 58.09 2kkv h GLU 15 Cb 0.25 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2kkv h GLU 15 CO 0.00 -0.38 -1.07 0.11 -1.18 0.00 0.00 179.01 176.49 2kkv h TRP 16 N -0.60 0.21 -0.50 0.92 5.08 -1.66 -3.28 115.95 116.11 2kkv h TRP 16 Ca 0.03 -0.15 -0.02 0.00 1.08 0.00 0.00 58.89 59.84 2kkv h TRP 16 Cb 0.63 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.76 2kkv h TRP 16 CO -0.33 1.09 0.24 1.25 -1.28 0.00 0.00 178.44 179.41 2kkv h HIS 17 N 0.04 0.68 0.00 0.12 6.17 -0.89 -3.10 115.15 118.17 2kkv h HIS 17 Ca -0.06 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.01 2kkv h HIS 17 Cb 1.81 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 31.52 2kkv h HIS 17 CO 0.03 0.50 0.00 1.49 0.71 0.00 0.00 177.93 180.66 2kkv h GLU 18 N 0.70 0.00 0.00 5.26 4.57 -0.17 0.18 114.58 125.11 2kkv h GLU 18 Ca 0.18 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2kkv h GLU 18 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2kkv h GLU 18 CO -0.02 0.00 -0.27 0.77 -1.18 0.00 0.00 179.01 178.30 2kkv h SER 19 N 0.00 0.00 -2.94 1.04 0.02 -1.75 -3.18 113.55 106.74 2kkv h SER 19 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2kkv h SER 19 Cb 0.14 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.31 2kkv h SER 19 CO 0.00 0.27 -0.21 -3.20 -1.14 0.00 0.00 176.83 172.55 2kkv n ASN 20 N -4.21 4.12 -4.87 3.07 5.15 0.62 -5.07 115.26 114.07 2kkv n ASN 20 Ca -0.02 -3.26 -0.37 0.00 -0.60 0.00 0.00 54.58 50.32 2kkv n ASN 20 Cb 0.32 -0.92 -0.06 0.00 -0.53 0.00 0.00 39.78 38.59 2kkv n ASN 20 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2kkv s LYS 21 N -1.85 3.52 0.28 1.20 2.36 -1.20 -4.98 119.74 119.06 2kkv s LYS 21 Ca 0.31 -0.04 0.04 0.00 -2.55 0.00 0.00 55.97 53.72 2kkv s LYS 21 Cb 0.00 -3.19 -0.03 0.00 -1.05 0.00 0.00 37.83 33.56 2kkv s LYS 21 CO -0.08 0.76 0.42 0.50 1.55 0.00 0.00 175.35 178.50 2kkv s ARG 22 N -1.07 3.43 0.00 4.03 3.52 -1.26 -5.05 118.95 122.55 2kkv s ARG 22 Ca 0.17 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 2kkv s ARG 22 Cb -0.13 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2kkv s ARG 22 CO 0.06 0.32 0.85 0.91 -0.81 0.00 0.00 175.30 176.63 2kkv n TRP 23 N -1.54 0.00 -3.52 5.12 5.03 -1.26 -4.29 117.44 116.98 2kkv n TRP 23 Ca -0.07 0.00 -0.40 0.00 3.03 0.00 0.00 57.50 60.05 2kkv n TRP 23 Cb 0.57 -0.35 -0.10 0.00 -1.03 0.00 0.00 31.31 30.40 2kkv n TRP 23 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2kkv s SER 24 N -2.83 6.07 0.41 -0.99 1.04 -1.26 -4.93 113.70 111.21 2kkv s SER 24 Ca 0.00 -0.41 0.19 0.00 0.48 0.00 0.00 55.95 56.22 2kkv s SER 24 Cb 0.00 -2.14 0.87 0.00 0.10 0.00 0.00 66.02 64.84 2kkv s SER 24 CO 0.00 -0.25 1.83 1.05 0.98 0.00 0.00 173.24 176.85 2kkv h GLU 25 N 8.49 0.00 -0.44 4.02 -0.00 -2.00 -2.50 114.58 122.15 2kkv h GLU 25 Ca -0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 58.99 2kkv h GLU 25 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.88 2kkv h GLU 25 CO 0.64 0.31 0.02 0.22 -0.00 0.00 0.00 179.01 180.21 2kkv h ASP 26 N 0.00 0.67 0.83 3.06 3.58 -1.96 -0.49 116.42 122.11 2kkv h ASP 26 Ca -0.00 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.18 2kkv h ASP 26 Cb 0.71 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2kkv h ASP 26 CO 0.04 0.73 -0.59 0.45 -2.88 0.00 0.00 179.24 176.99 2kkv h HIS 27 N 0.67 0.00 -0.08 0.28 3.86 -1.90 -2.59 115.15 115.40 2kkv h HIS 27 Ca 0.14 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 2kkv h HIS 27 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2kkv h HIS 27 CO 0.02 0.59 -0.30 0.00 0.86 0.00 0.00 177.93 179.09 2kkv h ARG 28 N 0.00 0.15 -0.35 2.45 2.47 -0.92 -2.85 114.38 115.33 2kkv h ARG 28 Ca -0.01 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2kkv h ARG 28 Cb 1.16 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.45 2kkv h ARG 28 CO 0.08 0.44 0.12 1.03 0.56 0.00 0.00 179.97 182.19 2kkv h SER 29 N 0.13 0.45 -0.17 7.04 0.87 -0.70 0.12 113.55 121.29 2kkv h SER 29 Ca 0.02 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 2kkv h SER 29 Cb 0.61 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2kkv h SER 29 CO 0.04 0.43 -0.38 -0.09 -0.53 0.00 0.00 176.83 176.31 2kkv h ARG 30 N 0.49 0.70 0.00 2.24 1.12 -1.52 -2.51 114.38 114.91 2kkv h ARG 30 Ca 0.12 -0.35 -0.02 0.00 -1.11 0.00 0.00 59.98 58.62 2kkv h ARG 30 Cb 0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2kkv h ARG 30 CO -0.01 0.96 -0.09 0.28 -3.11 0.00 0.00 179.97 178.00 2kkv h VAL 31 N 0.58 0.25 -0.88 0.20 2.07 -1.03 -2.42 116.25 115.02 2kkv h VAL 31 Ca 0.05 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2kkv h VAL 31 Cb 0.91 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2kkv h VAL 31 CO 0.08 0.09 0.52 0.25 0.02 0.00 0.00 177.57 178.54 2kkv h LEU 32 N 0.00 1.06 -0.27 2.57 5.85 -0.37 0.41 115.31 124.55 2kkv h LEU 32 Ca -0.00 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 2kkv h LEU 32 Cb 0.57 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2kkv h LEU 32 CO 0.01 0.82 -0.53 0.03 -0.34 0.00 0.00 178.44 178.43 2kkv h ARG 33 N 1.21 0.84 -0.68 1.25 3.08 -1.47 0.27 114.38 118.88 2kkv h ARG 33 Ca 0.32 -0.54 0.06 0.00 0.07 0.00 0.00 59.98 59.89 2kkv h ARG 33 Cb -0.04 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 2kkv h ARG 33 CO -0.06 1.17 0.38 -0.92 -1.07 0.00 0.00 179.97 179.47 2kkv h TYR 34 N 0.61 0.69 0.05 3.04 3.20 -1.22 -1.29 116.97 122.05 2kkv h TYR 34 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kkv h TYR 34 Cb 1.14 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2kkv h TYR 34 CO 0.08 0.32 -0.02 1.25 -1.64 0.00 0.00 178.16 178.15 2kkv h LEU 35 N 0.69 -0.06 -0.44 2.82 5.85 -0.03 -3.19 115.31 120.95 2kkv h LEU 35 Ca 0.31 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2kkv h LEU 35 Cb 0.20 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 2kkv h LEU 35 CO -0.19 0.14 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.91 2kkv h GLU 36 N -0.26 0.04 0.00 1.25 4.81 0.05 0.78 114.58 121.25 2kkv h GLU 36 Ca -0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kkv h GLU 36 Cb 0.23 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2kkv h GLU 36 CO 0.01 0.03 0.00 -0.07 -0.73 0.00 0.00 179.01 178.25 2kkv h LEU 37 N 0.04 0.00 0.00 1.64 -0.00 -1.31 0.28 115.31 115.96 2kkv h LEU 37 Ca 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.03 2kkv h LEU 37 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 2kkv h LEU 37 CO -0.42 0.00 -1.51 -1.22 -0.00 0.00 0.00 178.44 175.28 2kkv n TYR 38 N -2.73 0.00 0.08 1.13 4.02 -0.27 -4.07 117.16 115.32 2kkv n TYR 38 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 2kkv n TYR 38 Cb 0.24 -0.31 -0.05 0.00 -0.02 0.00 0.00 39.34 39.20 2kkv n TYR 38 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 2kkv n ILE 39 N -2.03 0.44 -2.71 -0.72 0.13 0.26 -4.35 119.36 110.38 2kkv n ILE 39 Ca -0.07 -0.53 -0.24 0.00 -1.10 0.00 0.00 62.75 60.81 2kkv n ILE 39 Cb 0.46 -0.24 -0.01 0.00 -0.84 0.00 0.00 39.64 39.01 2kkv n ILE 39 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 2kkv n PHE 40 N -2.55 3.08 -0.09 9.51 3.72 0.08 -3.91 117.46 127.30 2kkv n PHE 40 Ca -0.01 -3.42 -0.10 0.00 -0.05 0.00 0.00 57.45 53.88 2kkv n PHE 40 Cb 0.55 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2kkv n PHE 40 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kkv n PRO 41 N -0.29 0.52 -0.09 -1.08 -0.04 -1.26 -4.47 135.00 128.30 2kkv n PRO 41 Ca 0.32 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2kkv n PRO 41 Cb 0.59 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2kkv n PRO 41 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kkv n HIS 42 N -4.47 0.00 0.93 0.54 -0.00 -1.26 -4.61 115.22 106.35 2kkv n HIS 42 Ca -0.15 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.14 2kkv n HIS 42 Cb 0.51 -0.69 0.17 0.00 -0.12 0.00 0.00 29.99 29.86 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2kkv n ILE 43 N -3.14 0.04 0.31 3.57 -5.35 -1.26 -4.16 119.36 109.37 2kkv n ILE 43 Ca -0.33 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.12 2kkv n ILE 43 Cb 0.83 0.34 0.13 0.00 -1.74 0.00 0.00 39.64 39.20 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 1.48 2.15 0.44 3.28 0.00 -1.25 -3.52 105.19 107.76 2kkv n GLY 44 Ca 0.05 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.18 1.36 -4.77 1.61 3.41 -1.26 -4.84 113.62 109.30 2kkv n SER 45 Ca 0.12 -1.46 -0.26 0.00 -0.26 0.00 0.00 58.87 57.00 2kkv n SER 45 Cb 0.64 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.99 4.41 0.22 4.04 0.01 -1.23 -5.14 113.70 114.01 2kkv s SER 46 Ca 0.39 -1.20 0.04 0.00 1.31 0.00 0.00 55.95 56.49 2kkv s SER 46 Cb 0.21 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 2kkv s SER 46 CO 0.34 -0.70 0.34 -0.62 0.41 0.00 0.00 173.24 173.00 2kkv s ASP 47 N -3.97 6.31 0.49 2.44 -1.08 -1.26 -5.00 116.67 114.60 2kkv s ASP 47 Ca 0.34 0.09 0.25 0.00 -0.52 0.00 0.00 52.55 52.72 2kkv s ASP 47 Cb 0.02 -1.87 1.29 0.00 -1.46 0.00 0.00 42.92 40.91 2kkv s ASP 47 CO 0.19 -0.04 2.01 -0.29 0.52 0.00 0.00 175.17 177.57 2kkv h ILE 48 N 1.30 0.65 0.00 4.11 2.10 -1.98 -1.49 117.51 122.20 2kkv h ILE 48 Ca -0.51 -0.68 -0.01 0.00 1.08 0.00 0.00 64.86 64.74 2kkv h ILE 48 Cb 1.22 1.43 -0.00 0.00 -1.09 0.00 0.00 36.82 38.38 2kkv h ILE 48 CO 0.63 0.16 -0.05 -0.09 -1.08 0.00 0.00 178.15 177.71 2kkv h ARG 49 N 0.00 0.00 -2.17 2.19 2.43 -1.98 -3.34 114.38 111.51 2kkv h ARG 49 Ca -0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 2kkv h ARG 49 Cb 0.42 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.57 2kkv h ARG 49 CO 0.02 0.05 -0.93 0.94 -1.51 0.00 0.00 179.97 178.55 2kkv n GLN 50 N -3.15 1.16 -3.78 0.20 -0.06 -0.56 -4.98 117.38 106.21 2kkv n GLN 50 Ca 0.01 -3.66 -0.31 0.00 -2.00 0.00 0.00 57.00 51.04 2kkv n GLN 50 Cb 0.38 -1.60 -0.04 0.00 -4.06 0.00 0.00 30.24 24.92 2kkv n GLN 50 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2kkv s LEU 51 N -1.34 4.31 0.54 1.69 2.96 -1.21 -4.22 118.68 121.39 2kkv s LEU 51 Ca 0.35 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2kkv s LEU 51 Cb 0.13 -3.16 0.03 0.00 0.50 0.00 0.00 46.19 43.70 2kkv s LEU 51 CO -0.10 0.10 0.75 -0.54 -1.32 0.00 0.00 176.35 175.24 2kkv s LYS 52 N -2.59 2.55 0.00 1.98 3.01 -1.26 -4.77 119.74 118.66 2kkv s LYS 52 Ca 0.38 -0.91 0.00 0.00 -1.01 0.00 0.00 55.97 54.44 2kkv s LYS 52 Cb -0.12 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 34.16 2kkv s LYS 52 CO 0.26 -0.67 0.00 2.41 0.51 0.00 0.00 175.35 177.86 2kkv n THR 53 N -2.27 0.00 0.20 2.17 -1.04 -1.26 -4.64 114.28 107.44 2kkv n THR 53 Ca 0.09 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.11 2kkv n THR 53 Cb 0.60 -1.94 0.06 0.00 -1.82 0.00 0.00 70.33 67.23 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kkv n SER 54 N -0.93 0.00 0.13 8.00 7.64 -1.26 -1.93 113.62 125.27 2kkv n SER 54 Ca 0.00 -0.14 0.08 0.00 1.01 0.00 0.00 58.87 59.82 2kkv n SER 54 Cb 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.21 0.00 1.43 -0.00 -1.98 -0.94 115.15 113.86 2kkv h HIS 55 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2kkv h HIS 55 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 2kkv h HIS 55 CO 0.00 0.13 0.00 1.47 -0.00 0.00 0.00 177.93 179.53 2kkv n LEU 56 N -4.50 0.78 0.24 2.43 -0.00 -0.81 -2.99 117.00 112.15 2kkv n LEU 56 Ca 0.01 0.62 0.11 0.00 -0.00 0.00 0.00 56.01 56.76 2kkv n LEU 56 Cb 0.14 -0.44 0.61 0.00 -0.00 0.00 0.00 43.42 43.72 2kkv n LEU 56 CO 0.35 -0.37 0.89 0.25 -0.00 0.00 0.00 177.39 178.51 2kkv h LEU 57 N 0.00 0.00 0.24 1.47 5.85 -1.39 -3.00 115.31 118.48 2kkv h LEU 57 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2kkv h LEU 57 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2kkv h LEU 57 CO 0.00 0.17 -0.11 0.00 -0.34 0.00 0.00 178.44 178.16 2kkv h ALA 58 N 1.83 -0.32 -0.82 1.25 0.00 -1.66 0.20 119.26 119.73 2kkv h ALA 58 Ca -0.00 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2kkv h ALA 58 Cb 0.52 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2kkv h ALA 58 CO 0.02 -0.58 0.54 -1.35 0.00 0.00 0.00 179.25 177.89 2kkv h PRO 59 N -0.53 0.49 -0.11 0.00 0.11 -1.76 0.14 132.00 130.35 2kkv h PRO 59 Ca -0.03 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 2kkv h PRO 59 Cb 0.39 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2kkv h PRO 59 CO 0.05 0.32 -0.43 0.82 -0.21 0.00 0.00 178.00 178.56 2kkv h ILE 60 N 0.50 1.32 0.00 4.15 1.08 -1.32 -2.41 117.51 120.83 2kkv h ILE 60 Ca 0.41 -1.57 -0.06 0.00 -0.39 0.00 0.00 64.86 63.26 2kkv h ILE 60 Cb 0.87 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 2kkv h ILE 60 CO -0.16 0.47 -0.28 0.50 -0.69 0.00 0.00 178.15 177.99 2kkv h LYS 61 N 0.20 0.00 -0.67 2.37 1.63 0.13 -1.63 116.57 118.61 2kkv h LYS 61 Ca 0.02 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2kkv h LYS 61 Cb 0.85 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.45 2kkv h LYS 61 CO 0.07 0.28 0.31 1.49 -3.45 0.00 0.00 179.45 178.15 2kkv h GLU 62 N 0.00 0.95 -0.21 1.90 4.81 -0.72 0.20 114.58 121.51 2kkv h GLU 62 Ca -0.00 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 2kkv h GLU 62 Cb 0.76 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2kkv h GLU 62 CO 0.04 0.74 -0.52 0.28 -0.73 0.00 0.00 179.01 178.81 2kkv h VAL 63 N 0.94 1.31 -0.23 0.32 2.07 -1.25 -2.15 116.25 117.25 2kkv h VAL 63 Ca 0.23 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2kkv h VAL 63 Cb 0.11 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2kkv h VAL 63 CO -0.03 0.55 -0.13 -0.78 0.02 0.00 0.00 177.57 177.21 2kkv h ASP 64 N 0.48 -0.42 0.03 0.57 1.82 -0.67 -1.94 116.42 116.29 2kkv h ASP 64 Ca 0.02 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2kkv h ASP 64 Cb 1.07 0.22 -0.00 0.00 0.68 0.00 0.00 39.33 41.31 2kkv h ASP 64 CO 0.10 -0.16 -0.03 0.74 -1.61 0.00 0.00 179.24 178.28 2kkv h THR 65 N -0.10 0.99 0.00 2.25 2.02 -0.40 0.88 112.91 118.55 2kkv h THR 65 Ca 0.13 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2kkv h THR 65 Cb 0.29 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2kkv h THR 65 CO -0.30 0.03 0.00 0.28 0.37 0.00 0.00 175.52 175.90 2kkv h SER 66 N 0.00 0.00 0.00 4.18 0.02 -0.71 -3.46 113.55 113.58 2kkv h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkv h SER 66 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2kkv h SER 66 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2kkv n GLY 67 N -0.01 1.93 2.48 -3.77 0.00 0.30 -4.99 105.19 101.14 2kkv n GLY 67 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.05 2.45 0.31 1.61 4.76 -0.84 -4.51 118.16 121.89 2kkv n LYS 68 Ca 0.00 -2.72 0.19 0.00 -2.87 0.00 0.00 58.31 52.92 2kkv n LYS 68 Cb 0.00 -2.11 0.98 0.00 -1.84 0.00 0.00 35.03 32.05 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2kkv h HIS 69 N 2.56 0.00 -0.06 2.13 2.07 -1.70 -0.08 115.15 120.07 2kkv h HIS 69 Ca 0.46 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.84 2kkv h HIS 69 Cb 0.57 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.55 2kkv h HIS 69 CO 1.26 0.02 -0.52 0.38 -3.07 0.00 0.00 177.93 176.00 2kkv h ASP 70 N 0.00 0.56 -0.05 3.10 2.03 -1.93 -3.05 116.42 117.09 2kkv h ASP 70 Ca -0.00 -0.69 -0.19 0.00 -0.73 0.00 0.00 57.03 55.42 2kkv h ASP 70 Cb 0.20 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2kkv h ASP 70 CO 0.00 1.17 -0.65 0.58 -1.03 0.00 0.00 179.24 179.30 2kkv h VAL 71 N 0.01 1.31 -0.24 4.15 2.07 -1.77 -2.89 116.25 118.88 2kkv h VAL 71 Ca -0.05 -1.90 0.06 0.00 0.82 0.00 0.00 66.70 65.62 2kkv h VAL 71 Cb 1.19 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 2kkv h VAL 71 CO 0.11 0.60 -0.15 0.00 0.02 0.00 0.00 177.57 178.15 2kkv h ALA 72 N 0.78 0.04 -0.37 1.67 0.00 -1.09 0.47 119.26 120.77 2kkv h ALA 72 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kkv h ALA 72 Cb 1.24 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2kkv h ALA 72 CO 0.13 -0.56 0.19 0.37 0.00 0.00 0.00 179.25 179.38 2kkv h GLN 73 N -0.13 0.52 -0.52 0.00 4.15 -1.58 -1.58 115.11 115.96 2kkv h GLN 73 Ca 0.13 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.59 2kkv h GLN 73 Cb 0.33 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 2kkv h GLN 73 CO -0.32 0.44 0.36 -0.09 -1.93 0.00 0.00 178.83 177.29 2kkv h ARG 74 N 0.46 0.27 -0.00 1.69 9.65 -1.14 0.13 114.38 125.43 2kkv h ARG 74 Ca 0.13 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2kkv h ARG 74 Cb 0.08 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2kkv h ARG 74 CO -0.02 0.18 -0.02 -0.07 2.80 0.00 0.00 179.97 182.84 2kkv h LEU 75 N 0.28 0.02 -0.59 3.80 3.38 -0.46 -3.17 115.31 118.57 2kkv h LEU 75 Ca 0.24 -0.71 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 2kkv h LEU 75 Cb 0.59 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2kkv h LEU 75 CO -0.05 0.72 0.06 0.06 0.09 0.00 0.00 178.44 179.32 2kkv h GLN 76 N -0.68 1.00 0.00 1.13 3.07 -0.48 -1.75 115.11 117.39 2kkv h GLN 76 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2kkv h GLN 76 Cb 0.72 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.18 2kkv h GLN 76 CO 0.00 0.96 0.00 -0.56 0.09 0.00 0.00 178.83 179.33 2kkv h GLN 77 N 0.90 0.00 0.01 0.06 3.07 -0.92 -2.84 115.11 115.38 2kkv h GLN 77 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.88 2kkv h GLN 77 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 2kkv h GLN 77 CO 0.02 0.00 -0.15 -0.09 0.09 0.00 0.00 178.83 178.70 2kkv h ARG 78 N 0.00 0.02 -0.20 0.06 2.43 -1.31 -3.25 114.38 112.12 2kkv h ARG 78 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2kkv h ARG 78 Cb 0.37 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2kkv h ARG 78 CO 0.00 1.01 -0.02 -0.24 -1.51 0.00 0.00 179.97 179.22 2kkv h VAL 79 N -0.96 1.14 -0.16 0.20 3.04 -1.32 -0.26 116.25 117.93 2kkv h VAL 79 Ca -0.04 -0.56 -0.06 0.00 -1.01 0.00 0.00 66.70 65.03 2kkv h VAL 79 Cb 1.06 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 2kkv h VAL 79 CO -0.01 0.18 -0.18 0.71 -1.01 0.00 0.00 177.57 177.27 2kkv h THR 80 N 0.29 1.21 0.18 3.17 1.35 -1.63 -0.56 112.91 116.93 2kkv h THR 80 Ca 0.07 -0.95 -0.31 0.00 -0.55 0.00 0.00 66.41 64.67 2kkv h THR 80 Cb 0.23 1.29 0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2kkv h THR 80 CO 0.01 0.29 -1.34 0.00 -0.25 0.00 0.00 175.52 174.23 2kkv h ALA 81 N 1.57 -0.02 0.15 6.62 0.00 -1.25 -2.20 119.26 124.12 2kkv h ALA 81 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2kkv h ALA 81 Cb 0.47 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kkv h ALA 81 CO 0.03 0.79 -0.07 0.82 0.00 0.00 0.00 179.25 180.82 2kkv h ILE 82 N 0.15 0.87 0.00 0.00 2.04 -0.79 -2.63 117.51 117.16 2kkv h ILE 82 Ca -0.20 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2kkv h ILE 82 Cb 2.03 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2kkv h ILE 82 CO 0.24 0.02 -0.28 -0.03 0.00 0.00 0.00 178.15 178.10 2kkv h MET 83 N -0.24 0.00 -0.40 2.37 4.05 -1.22 -2.77 114.93 116.72 2kkv h MET 83 Ca -0.02 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2kkv h MET 83 Cb 0.19 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2kkv h MET 83 CO 0.03 0.28 0.26 -0.09 0.23 0.00 0.00 176.91 177.62 2kkv h ARG 84 N 0.00 0.51 -0.00 0.39 9.65 -1.04 -1.47 114.38 122.42 2kkv h ARG 84 Ca -0.00 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 2kkv h ARG 84 Cb 0.76 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2kkv h ARG 84 CO 0.04 0.34 -0.43 -0.92 2.80 0.00 0.00 179.97 181.79 2kkv h TYR 85 N 0.53 0.01 0.00 2.20 3.20 -1.30 -2.34 116.97 119.27 2kkv h TYR 85 Ca 0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2kkv h TYR 85 Cb -0.04 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 2kkv h TYR 85 CO -0.05 0.44 -0.08 0.00 -1.64 0.00 0.00 178.16 176.82 2kkv h ALA 86 N 1.56 1.15 0.00 1.82 0.00 -1.03 -0.93 119.26 121.84 2kkv h ALA 86 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2kkv h ALA 86 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kkv h ALA 86 CO 0.06 0.11 -0.23 0.28 0.00 0.00 0.00 179.25 179.46 2kkv h VAL 87 N 0.00 0.54 -0.33 0.00 2.07 -0.74 -3.12 116.25 114.67 2kkv h VAL 87 Ca -0.00 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 2kkv h VAL 87 Cb 0.35 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2kkv h VAL 87 CO 0.01 0.23 -0.26 -0.61 0.02 0.00 0.00 177.57 176.96 2kkv h GLN 88 N 0.00 0.67 -0.00 1.57 5.75 -1.23 -2.01 115.11 119.86 2kkv h GLN 88 Ca -0.00 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2kkv h GLN 88 Cb 0.81 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2kkv h GLN 88 CO 0.03 0.86 -0.24 0.27 -2.65 0.00 0.00 178.83 177.10 2kkv n ASN 89 N -4.10 0.44 -3.28 -0.69 0.23 -1.21 -4.98 115.26 101.67 2kkv n ASN 89 Ca -0.00 -0.25 -0.12 0.00 -0.53 0.00 0.00 54.58 53.68 2kkv n ASN 89 Cb 0.44 -0.03 0.03 0.00 -2.08 0.00 0.00 39.78 38.14 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kkv n ASP 90 N -1.24 -6.81 -0.44 0.53 2.03 -0.76 -4.93 116.55 104.94 2kkv n ASP 90 Ca 0.09 -0.51 0.05 0.00 0.52 0.00 0.00 54.79 54.95 2kkv n ASP 90 Cb 0.32 -4.72 0.05 0.00 -0.72 0.00 0.00 41.12 36.05 2kkv n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkv n TYR 91 N -2.72 0.02 -4.42 -0.67 4.11 -1.26 -5.01 117.16 107.22 2kkv n TYR 91 Ca -0.06 -0.02 -0.20 0.00 -0.00 0.00 0.00 57.90 57.62 2kkv n TYR 91 Cb 0.57 -0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.77 2kkv n TYR 91 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 2kkv s ILE 92 N -0.90 1.04 -0.14 -3.48 -4.36 -1.26 -5.04 121.20 107.06 2kkv s ILE 92 Ca 0.13 -0.82 0.15 0.00 -0.26 0.00 0.00 60.65 59.85 2kkv s ILE 92 Cb 0.09 -0.92 0.34 0.00 1.25 0.00 0.00 42.46 43.22 2kkv s ILE 92 CO 0.13 0.10 1.17 0.47 0.24 0.00 0.00 174.94 177.05 2kkv n ASP 93 N 2.23 1.75 0.10 4.36 8.00 -1.26 -4.80 116.55 126.93 2kkv n ASP 93 Ca -0.17 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.07 2kkv n ASP 93 Cb 0.55 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2kkv n ASP 93 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kkv n SER 94 N -1.00 0.28 -3.05 -2.24 7.64 -1.26 -5.10 113.62 108.89 2kkv n SER 94 Ca 0.15 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 60.23 2kkv n SER 94 Cb 0.71 0.13 0.01 0.00 -1.01 0.00 0.00 64.21 64.06 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 -3.42 -7.32 0.18 6.43 4.05 -1.26 -4.91 115.26 109.00 2kkv n ASN 95 Ca 0.00 0.27 0.13 0.00 0.45 0.00 0.00 54.58 55.43 2kkv n ASN 95 Cb 0.00 -4.48 0.41 0.00 1.23 0.00 0.00 39.78 36.94 2kkv n ASN 95 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2kkv h PRO 96 N 1.76 0.00 -5.49 1.20 0.13 -1.86 -3.40 132.00 124.35 2kkv h PRO 96 Ca -0.14 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.29 2kkv h PRO 96 Cb 1.10 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 2kkv h PRO 96 CO 0.22 0.00 2.04 0.00 -0.23 0.00 0.00 178.00 180.03 2kkv n ALA 97 N -1.93 3.73 0.08 -0.56 0.00 -1.26 -4.34 120.51 116.23 2kkv n ALA 97 Ca 0.03 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.52 2kkv n ALA 97 Cb 0.40 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.38 2kkv n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kkv n SER 98 N 7.58 -0.13 -2.44 0.00 7.64 -1.26 -4.68 113.62 120.33 2kkv n SER 98 Ca 0.46 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 60.34 2kkv n SER 98 Cb 0.45 0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2kkv n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kkv n ASP 99 N -3.06 6.86 -0.01 6.43 9.92 -1.26 -4.40 116.55 131.03 2kkv n ASP 99 Ca 0.00 -3.39 -0.21 0.00 -0.53 0.00 0.00 54.79 50.66 2kkv n ASP 99 Cb 0.00 -1.13 -0.14 0.00 -0.64 0.00 0.00 41.12 39.21 2kkv n ASP 99 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2kkv n MET 100 N 0.24 0.74 -0.99 -1.24 2.81 -1.26 -4.01 117.12 113.41 2kkv n MET 100 Ca 0.48 0.29 -0.04 0.00 -1.81 0.00 0.00 57.70 56.62 2kkv n MET 100 Cb 0.50 -1.71 0.31 0.00 -0.71 0.00 0.00 33.22 31.62 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kkv n ALA 101 N -3.06 4.46 -2.13 3.04 0.00 -1.26 -4.94 120.51 116.62 2kkv n ALA 101 Ca -0.32 -2.33 -0.39 0.00 0.00 0.00 0.00 53.44 50.40 2kkv n ALA 101 Cb 1.01 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 2kkv n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kkv s GLY 102 N -1.08 0.34 -0.35 0.00 0.00 -1.26 -4.16 107.32 100.80 2kkv s GLY 102 Ca 0.55 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 44.45 2kkv s GLY 102 CO 0.13 3.27 0.22 0.00 0.00 0.00 0.00 173.10 176.73 2kkv n ALA 103 N 12.07 -3.31 -3.92 3.20 0.00 -1.26 -5.01 120.51 122.28 2kkv n ALA 103 Ca 0.17 0.75 -0.31 0.00 0.00 0.00 0.00 53.44 54.06 2kkv n ALA 103 Cb 0.51 -2.04 -0.15 0.00 0.00 0.00 0.00 19.45 17.77 2kkv n ALA 103 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kkv s LEU 104 N -2.00 3.44 -0.24 0.00 0.20 -1.26 -4.71 118.68 114.11 2kkv s LEU 104 Ca 0.09 -1.74 0.00 0.00 0.69 0.00 0.00 54.13 53.17 2kkv s LEU 104 Cb -0.03 -1.29 0.00 0.00 -0.43 0.00 0.00 46.19 44.45 2kkv s LEU 104 CO 0.78 -0.35 0.00 -0.24 -0.29 0.00 0.00 176.35 176.25 2kkv n SER 105 N 4.54 -4.26 -4.62 3.68 2.88 -1.26 -4.95 113.62 109.63 2kkv n SER 105 Ca -0.02 0.06 -0.43 0.00 -1.33 0.00 0.00 58.87 57.15 2kkv n SER 105 Cb 0.42 -1.96 -0.02 0.00 -0.75 0.00 0.00 64.21 61.90 2kkv n SER 105 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kkv s THR 106 N -1.76 4.44 0.01 2.46 2.01 -1.26 -4.86 115.64 116.68 2kkv s THR 106 Ca 0.00 1.48 -0.05 0.00 0.31 0.00 0.00 61.69 63.42 2kkv s THR 106 Cb 0.00 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 2kkv s THR 106 CO 0.00 -0.64 -0.10 0.41 -0.69 0.00 0.00 174.62 173.60 2kkv n THR 107 N 6.16 1.28 -3.02 -0.82 -1.04 -1.26 -4.98 114.28 110.59 2kkv n THR 107 Ca 0.11 0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 62.00 2kkv n THR 107 Cb 0.48 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 2kkv n THR 107 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kkv s LYS 108 N -2.27 3.30 -0.23 -2.82 -0.14 -1.26 -4.74 119.74 111.59 2kkv s LYS 108 Ca -0.09 -0.35 0.09 0.00 -1.36 0.00 0.00 55.97 54.26 2kkv s LYS 108 Cb 0.01 -3.99 0.27 0.00 -1.68 0.00 0.00 37.83 32.45 2kkv s LYS 108 CO 0.13 -1.16 1.30 0.00 -0.76 0.00 0.00 175.35 174.86 2kkv n ALA 109 N 6.60 2.58 -0.85 5.17 0.00 -1.26 -5.05 120.51 127.69 2kkv n ALA 109 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2kkv n ALA 109 Cb 0.47 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2kkv n ALA 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kkv n ARG 110 N -1.04 0.00 -3.54 0.00 5.12 -1.26 -5.06 116.66 110.87 2kkv n ARG 110 Ca -0.18 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.37 2kkv n ARG 110 Cb 0.79 -0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 32.02 2kkv n ARG 110 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2kkv s HIS 111 N -0.15 3.51 -0.01 -1.55 2.46 -1.26 -5.07 115.29 113.22 2kkv s HIS 111 Ca 0.00 0.67 0.04 0.00 0.47 0.00 0.00 55.06 56.24 2kkv s HIS 111 Cb 0.00 -2.32 -0.01 0.00 -0.13 0.00 0.00 32.58 30.12 2kkv s HIS 111 CO 0.00 0.33 -0.13 1.52 -2.47 0.00 0.00 174.74 173.99 2kkv s TYR 112 N 0.14 1.16 0.79 3.88 1.13 -1.26 -5.14 117.35 118.06 2kkv s TYR 112 Ca 0.18 -0.23 -0.14 0.00 -1.41 0.00 0.00 57.07 55.47 2kkv s TYR 112 Cb -0.14 -0.74 0.07 0.00 -1.10 0.00 0.00 41.96 40.05 2kkv s TYR 112 CO 0.06 -0.01 1.19 -2.30 -2.51 0.00 0.00 175.55 171.97 2kkv n PRO 113 N 2.68 0.28 -0.01 -3.49 -0.02 -1.26 -4.96 135.00 128.21 2kkv n PRO 113 Ca -0.14 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 2kkv n PRO 113 Cb 0.55 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 2kkv n PRO 113 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kkv h LEU 114 N -0.75 0.04 -6.35 2.45 5.85 -2.06 -3.46 115.31 111.03 2kkv h LEU 114 Ca -0.47 -0.45 0.20 0.00 0.84 0.00 0.00 57.88 58.00 2kkv h LEU 114 Cb 1.30 -0.01 -0.24 0.00 0.37 0.00 0.00 40.66 42.08 2kkv h LEU 114 CO 0.46 0.48 0.27 -0.70 -0.34 0.00 0.00 178.44 178.61 2kkv s GLU 115 N -4.42 0.23 -0.75 1.25 -6.30 -1.26 -5.10 118.70 102.35 2kkv s GLU 115 Ca -0.16 0.56 -0.26 0.00 -2.50 0.00 0.00 54.97 52.62 2kkv s GLU 115 Cb 0.02 0.34 0.01 0.00 0.00 0.00 0.00 34.13 34.50 2kkv s GLU 115 CO 0.68 -0.10 1.58 -1.01 0.02 0.00 0.00 175.26 176.43 2kkv s HIS 116 N 2.44 2.04 -0.02 5.30 3.76 -1.26 -4.86 115.29 122.69 2kkv s HIS 116 Ca -0.01 0.22 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 2kkv s HIS 116 Cb -0.06 -4.38 -0.20 0.00 1.11 0.00 0.00 32.58 29.05 2kkv s HIS 116 CO -0.16 -2.10 1.19 0.45 -0.85 0.00 0.00 174.74 173.26 2kkv h HIS 117 N 11.89 0.18 -3.10 1.40 -0.00 -2.03 -3.44 115.15 120.03 2kkv h HIS 117 Ca -0.17 -0.07 -0.63 0.00 -0.00 0.00 0.00 60.37 59.51 2kkv h HIS 117 Cb 1.08 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 28.37 2kkv h HIS 117 CO 1.13 0.71 -0.59 -1.01 -0.00 0.00 0.00 177.93 178.17 2kkv s HIS 118 N -3.81 3.20 -2.05 2.45 3.76 -1.26 -5.02 115.29 112.56 2kkv s HIS 118 Ca -0.16 0.07 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 2kkv s HIS 118 Cb 0.02 -1.61 0.39 0.00 1.11 0.00 0.00 32.58 32.48 2kkv s HIS 118 CO 0.71 0.52 1.34 0.72 -0.85 0.00 0.00 174.74 177.19 2kkv n HIS 119 N 0.34 0.00 -1.24 1.40 8.25 -1.26 -5.05 115.22 117.65 2kkv n HIS 119 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2kkv n HIS 119 Cb 0.52 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2kkv n HIS 119 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kkv n HIS 120 N -0.13 -2.69 1.13 4.41 -0.00 -1.26 -5.27 115.22 111.42 2kkv n HIS 120 Ca 0.12 1.55 0.13 0.00 -0.00 0.00 0.00 57.72 59.51 2kkv n HIS 120 Cb 0.42 -2.85 0.21 0.00 -0.00 0.00 0.00 29.99 27.78 2kkv n HIS 120 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92