#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 3.92 -0.30 0.03 1.03 -1.26 -5.07 118.70 117.06 2kkv s GLU 2 Ca 0.00 0.50 -0.03 0.00 0.03 0.00 0.00 54.97 55.47 2kkv s GLU 2 Cb 0.00 -2.53 0.10 0.00 -0.80 0.00 0.00 34.13 30.90 2kkv s GLU 2 CO 0.00 0.23 0.13 1.21 -1.33 0.00 0.00 175.26 175.50 2kkv s ASN 3 N -2.30 3.60 -0.56 0.83 3.84 -1.26 -5.10 114.94 114.00 2kkv s ASN 3 Ca 0.51 -1.41 -0.19 0.00 0.21 0.00 0.00 52.86 51.98 2kkv s ASN 3 Cb -0.11 -0.46 0.09 0.00 -0.55 0.00 0.00 41.25 40.23 2kkv s ASN 3 CO 0.19 -0.43 0.66 -0.55 -2.79 0.00 0.00 177.10 174.18 2kkv s SER 4 N 1.94 6.19 -0.03 -4.21 0.15 -1.26 -4.91 113.70 111.57 2kkv s SER 4 Ca 0.10 -1.30 -0.03 0.00 0.70 0.00 0.00 55.95 55.41 2kkv s SER 4 Cb -0.17 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 2kkv s SER 4 CO -0.32 -1.02 0.23 1.23 1.20 0.00 0.00 173.24 174.55 2kkv h GLY 5 N 9.80 -0.12 -6.39 9.45 0.00 -2.07 -3.48 103.07 110.26 2kkv h GLY 5 Ca -0.29 0.05 -0.47 0.00 0.00 0.00 0.00 47.33 46.62 2kkv h GLY 5 CO 1.05 -0.04 -0.96 0.00 0.00 0.00 0.00 176.54 176.59 2kkv n ALA 6 N -2.36 -2.57 -2.22 3.60 0.00 -1.26 -4.83 120.51 110.87 2kkv n ALA 6 Ca -0.01 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.74 2kkv n ALA 6 Cb 0.05 -3.82 -0.03 0.00 0.00 0.00 0.00 19.45 15.64 2kkv n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kkv s TYR 7 N -3.48 1.93 0.03 0.00 1.13 -1.26 -4.73 117.35 110.97 2kkv s TYR 7 Ca 0.48 0.38 0.00 0.00 -1.41 0.00 0.00 57.07 56.52 2kkv s TYR 7 Cb -0.19 -4.28 -0.02 0.00 -1.10 0.00 0.00 41.96 36.36 2kkv s TYR 7 CO 0.89 -2.11 -0.04 0.99 -2.51 0.00 0.00 175.55 172.77 2kkv s THR 8 N 8.01 0.17 0.25 -3.49 2.01 -1.26 -4.91 115.64 116.41 2kkv s THR 8 Ca 0.57 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 2kkv s THR 8 Cb -0.09 -0.45 0.21 0.00 0.01 0.00 0.00 72.50 72.18 2kkv s THR 8 CO 0.12 -0.55 1.81 0.15 -0.69 0.00 0.00 174.62 175.46 2kkv h PHE 9 N 4.45 0.85 -0.74 4.92 3.04 -1.92 -1.29 116.94 126.26 2kkv h PHE 9 Ca -0.33 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.62 2kkv h PHE 9 Cb 1.20 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.42 2kkv h PHE 9 CO 0.64 0.35 0.34 0.93 -2.02 0.00 0.00 178.31 178.55 2kkv h GLU 10 N 0.79 1.06 -0.52 1.11 5.08 -1.96 -1.46 114.58 118.69 2kkv h GLU 10 Ca 0.40 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2kkv h GLU 10 Cb 0.37 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kkv h GLU 10 CO -0.25 0.83 0.22 1.15 -1.00 0.00 0.00 179.01 179.96 2kkv h THR 11 N 1.05 1.21 -0.49 1.13 2.02 -1.55 0.24 112.91 116.53 2kkv h THR 11 Ca 0.25 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2kkv h THR 11 Cb 0.13 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2kkv h THR 11 CO -0.03 0.25 0.16 0.40 0.37 0.00 0.00 175.52 176.67 2kkv h ILE 12 N 0.70 1.23 -0.27 3.11 2.04 -1.14 -2.46 117.51 120.72 2kkv h ILE 12 Ca 0.17 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 2kkv h ILE 12 Cb 0.18 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2kkv h ILE 12 CO -0.02 0.28 -0.10 0.00 0.00 0.00 0.00 178.15 178.31 2kkv h ALA 13 N 1.01 1.33 -0.42 1.87 0.00 -0.96 -2.70 119.26 119.40 2kkv h ALA 13 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kkv h ALA 13 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kkv h ALA 13 CO -0.01 0.45 0.26 -0.09 0.00 0.00 0.00 179.25 179.86 2kkv h ARG 14 N 0.41 0.56 0.75 0.00 1.12 -0.05 -0.38 114.38 116.80 2kkv h ARG 14 Ca 0.08 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 2kkv h ARG 14 Cb 0.43 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.27 2kkv h ARG 14 CO 0.02 0.39 -0.45 1.49 -3.11 0.00 0.00 179.97 178.31 2kkv h GLU 15 N 0.57 -1.09 0.00 0.20 4.57 -1.27 -2.12 114.58 115.45 2kkv h GLU 15 Ca 0.15 0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.32 2kkv h GLU 15 Cb -0.03 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2kkv h GLU 15 CO -0.03 -0.73 -0.42 0.11 -1.18 0.00 0.00 179.01 176.76 2kkv h TRP 16 N -1.13 0.00 -0.13 0.92 5.08 -1.65 -2.98 115.95 116.06 2kkv h TRP 16 Ca -0.10 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.88 2kkv h TRP 16 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 2kkv h TRP 16 CO -0.09 0.42 0.09 1.25 -1.28 0.00 0.00 178.44 178.83 2kkv h HIS 17 N 0.00 0.13 0.00 0.12 2.76 -0.96 -2.22 115.15 114.98 2kkv h HIS 17 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2kkv h HIS 17 Cb 1.29 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 2kkv h HIS 17 CO 0.00 0.08 -0.08 1.49 -1.30 0.00 0.00 177.93 178.12 2kkv h GLU 18 N 0.14 0.00 -0.39 5.26 4.81 -1.22 -2.50 114.58 120.69 2kkv h GLU 18 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2kkv h GLU 18 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2kkv h GLU 18 CO -0.01 0.08 0.20 0.77 -0.73 0.00 0.00 179.01 179.33 2kkv h SER 19 N 0.00 0.47 -0.20 1.04 0.02 -1.54 -3.47 113.55 109.86 2kkv h SER 19 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kkv h SER 19 Cb 0.57 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2kkv h SER 19 CO 0.01 0.38 0.00 0.59 -1.14 0.00 0.00 176.83 176.68 2kkv n ASN 20 N -4.43 -3.48 0.00 3.07 3.02 -0.94 -4.98 115.26 107.52 2kkv n ASN 20 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2kkv n ASN 20 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 2kkv n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kkv n LYS 21 N -0.41 0.00 -3.60 3.52 3.00 -1.26 -5.10 118.16 114.32 2kkv n LYS 21 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2kkv n LYS 21 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 2kkv n LYS 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kkv s ARG 22 N 0.00 2.26 -0.48 1.64 3.52 -1.26 -5.05 118.95 119.58 2kkv s ARG 22 Ca 0.00 -1.91 -0.28 0.00 -0.13 0.00 0.00 55.73 53.41 2kkv s ARG 22 Cb 0.00 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.12 2kkv s ARG 22 CO 0.00 -0.72 1.41 -1.58 -0.81 0.00 0.00 175.30 173.60 2kkv s TRP 23 N -2.75 2.35 -0.13 5.12 0.51 -1.26 -4.69 118.94 118.09 2kkv s TRP 23 Ca 0.43 0.59 0.08 0.00 -2.12 0.00 0.00 56.10 55.08 2kkv s TRP 23 Cb -0.03 -4.35 0.21 0.00 -0.81 0.00 0.00 33.47 28.49 2kkv s TRP 23 CO 0.27 -1.96 1.21 0.43 -0.51 0.00 0.00 176.95 176.39 2kkv n SER 24 N 9.21 -0.83 -0.10 2.95 7.64 -1.26 -5.03 113.62 126.21 2kkv n SER 24 Ca 0.15 -2.08 -0.06 0.00 1.01 0.00 0.00 58.87 57.90 2kkv n SER 24 Cb 0.49 0.33 0.01 0.00 -1.01 0.00 0.00 64.21 64.03 2kkv n SER 24 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kkv h GLU 25 N 0.58 0.03 -0.04 1.43 4.57 -2.01 -0.39 114.58 118.75 2kkv h GLU 25 Ca -0.47 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 2kkv h GLU 25 Cb 1.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2kkv h GLU 25 CO -0.19 0.02 -0.51 -0.44 -1.18 0.00 0.00 179.01 176.71 2kkv h ASP 26 N 0.03 0.11 1.23 1.04 3.32 -2.01 -2.72 116.42 117.42 2kkv h ASP 26 Ca 0.17 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2kkv h ASP 26 Cb 0.26 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2kkv h ASP 26 CO -0.34 0.60 -0.32 -0.74 -1.72 0.00 0.00 179.24 176.72 2kkv h HIS 27 N 0.08 0.00 -1.04 4.55 2.76 -1.61 -3.29 115.15 116.60 2kkv h HIS 27 Ca -0.00 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.45 2kkv h HIS 27 Cb 0.93 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 2kkv h HIS 27 CO 0.01 0.32 0.71 0.00 -1.30 0.00 0.00 177.93 177.67 2kkv h ARG 28 N 0.00 0.16 -0.51 5.26 -0.00 -0.80 -0.07 114.38 118.42 2kkv h ARG 28 Ca -0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2kkv h ARG 28 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.93 2kkv h ARG 28 CO 0.04 0.11 0.27 1.03 0.00 0.00 0.00 179.97 181.42 2kkv h SER 29 N 0.17 0.65 -0.80 7.04 0.87 -1.76 0.54 113.55 120.27 2kkv h SER 29 Ca 0.53 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 2kkv h SER 29 Cb 1.77 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.52 2kkv h SER 29 CO -0.12 0.57 0.45 -0.09 -0.53 0.00 0.00 176.83 177.11 2kkv h ARG 30 N 0.69 1.11 -0.65 2.24 2.43 -1.27 -1.49 114.38 117.45 2kkv h ARG 30 Ca 0.18 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2kkv h ARG 30 Cb 0.07 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2kkv h ARG 30 CO -0.03 0.81 0.13 0.28 -1.51 0.00 0.00 179.97 179.65 2kkv h VAL 31 N 1.12 1.26 -0.77 0.20 2.07 -0.99 0.12 116.25 119.25 2kkv h VAL 31 Ca 0.29 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2kkv h VAL 31 Cb 0.01 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2kkv h VAL 31 CO -0.05 0.37 0.35 0.25 0.02 0.00 0.00 177.57 178.50 2kkv h LEU 32 N 0.99 1.04 -0.38 2.57 6.46 -0.28 0.31 115.31 126.01 2kkv h LEU 32 Ca 0.20 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 2kkv h LEU 32 Cb 0.39 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2kkv h LEU 32 CO 0.01 0.90 0.01 0.03 -0.62 0.00 0.00 178.44 178.77 2kkv h ARG 33 N 1.10 0.67 -0.95 1.25 3.08 -0.80 -0.77 114.38 117.96 2kkv h ARG 33 Ca 0.26 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2kkv h ARG 33 Cb 0.16 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2kkv h ARG 33 CO -0.03 0.76 0.63 -0.92 -1.07 0.00 0.00 179.97 179.34 2kkv h TYR 34 N 0.49 1.19 -0.71 3.04 3.20 -0.36 0.13 116.97 123.94 2kkv h TYR 34 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2kkv h TYR 34 Cb 0.45 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2kkv h TYR 34 CO 0.03 0.72 0.39 1.25 -1.64 0.00 0.00 178.16 178.91 2kkv h LEU 35 N 1.26 0.89 -0.81 2.82 6.46 -0.06 0.16 115.31 126.03 2kkv h LEU 35 Ca 0.36 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.94 2kkv h LEU 35 Cb -0.09 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 2kkv h LEU 35 CO -0.10 0.74 -0.05 -0.08 -0.62 0.00 0.00 178.44 178.33 2kkv h GLU 36 N 0.98 0.84 -0.04 1.25 4.22 -0.48 0.66 114.58 122.01 2kkv h GLU 36 Ca 0.25 -0.26 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 2kkv h GLU 36 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2kkv h GLU 36 CO -0.04 0.87 -0.09 -0.07 -2.18 0.00 0.00 179.01 177.50 2kkv h LEU 37 N 0.77 0.15 0.01 1.64 3.38 -0.03 -3.06 115.31 118.17 2kkv h LEU 37 Ca 0.14 -0.58 -0.38 0.00 0.09 0.00 0.00 57.88 57.14 2kkv h LEU 37 Cb 0.54 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2kkv h LEU 37 CO 0.03 0.70 -2.41 0.00 0.09 0.00 0.00 178.44 176.86 2kkv n TYR 38 N -4.69 0.14 0.04 1.13 9.36 0.50 -3.50 117.16 120.15 2kkv n TYR 38 Ca -0.08 0.03 -0.09 0.00 3.32 0.00 0.00 57.90 61.08 2kkv n TYR 38 Cb 0.35 -1.02 -0.13 0.00 -0.63 0.00 0.00 39.34 37.91 2kkv n TYR 38 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2kkv h ILE 39 N 0.01 1.37 -2.04 2.97 5.03 -1.04 -3.33 117.51 120.48 2kkv h ILE 39 Ca -0.56 -3.12 -0.62 0.00 -0.12 0.00 0.00 64.86 60.44 2kkv h ILE 39 Cb 1.97 2.70 -0.40 0.00 -3.03 0.00 0.00 36.82 38.06 2kkv h ILE 39 CO -0.05 0.80 -0.39 0.49 -0.68 0.00 0.00 178.15 178.31 2kkv n PHE 40 N -3.27 3.68 0.20 1.37 3.72 -0.72 -4.93 117.46 117.51 2kkv n PHE 40 Ca -0.07 -3.49 -0.12 0.00 -0.05 0.00 0.00 57.45 53.72 2kkv n PHE 40 Cb 0.99 -0.48 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kkv h PRO 41 N 2.99 -0.53 0.00 -1.08 0.13 -1.64 -3.18 132.00 128.69 2kkv h PRO 41 Ca 0.25 0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.35 2kkv h PRO 41 Cb 0.58 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2kkv h PRO 41 CO 0.90 -0.23 -1.76 1.58 -0.23 0.00 0.00 178.00 178.26 2kkv n HIS 42 N -5.17 0.00 -0.58 1.56 -0.00 -1.26 -4.65 115.22 105.12 2kkv n HIS 42 Ca -0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.71 2kkv n HIS 42 Cb 0.28 -0.44 0.26 0.00 -0.00 0.00 0.00 29.99 30.09 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kkv n ILE 43 N -2.16 1.68 1.30 3.57 -6.64 -1.26 -4.54 119.36 111.32 2kkv n ILE 43 Ca -0.08 -1.34 0.04 0.00 -1.77 0.00 0.00 62.75 59.60 2kkv n ILE 43 Cb 0.54 0.14 0.25 0.00 -1.44 0.00 0.00 39.64 39.14 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2kkv n GLY 44 N 0.41 -0.65 0.03 3.28 0.00 -1.20 -2.67 105.19 104.38 2kkv n GLY 44 Ca 0.19 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.71 0.30 -4.75 1.61 3.41 -1.26 -4.83 113.62 107.39 2kkv n SER 45 Ca 0.06 0.37 -0.38 0.00 -0.26 0.00 0.00 58.87 58.66 2kkv n SER 45 Cb 0.03 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 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 -3.40 6.69 0.35 4.04 0.01 -1.09 -5.08 113.70 115.22 2kkv s SER 46 Ca 0.12 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.27 2kkv s SER 46 Cb 0.17 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 2kkv s SER 46 CO 0.58 0.09 0.49 -0.62 0.41 0.00 0.00 173.24 174.19 2kkv s ASP 47 N 0.17 5.93 0.52 2.44 2.15 -1.26 -4.99 116.67 121.64 2kkv s ASP 47 Ca 0.24 -0.21 0.19 0.00 0.43 0.00 0.00 52.55 53.20 2kkv s ASP 47 Cb -0.15 -1.16 1.33 0.00 -0.30 0.00 0.00 42.92 42.64 2kkv s ASP 47 CO 0.10 -0.48 2.14 -0.29 -0.17 0.00 0.00 175.17 176.48 2kkv h ILE 48 N 0.85 0.92 0.00 4.11 6.09 -1.93 -0.71 117.51 126.85 2kkv h ILE 48 Ca -0.45 -0.12 -0.02 0.00 -1.37 0.00 0.00 64.86 62.90 2kkv h ILE 48 Cb 1.26 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 39.61 2kkv h ILE 48 CO 0.52 0.03 -0.09 -0.09 -3.07 0.00 0.00 178.15 175.45 2kkv h ARG 49 N 0.00 0.00 -2.32 2.19 2.43 -1.93 -3.31 114.38 111.43 2kkv h ARG 49 Ca -0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2kkv h ARG 49 Cb 0.06 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.22 2kkv h ARG 49 CO 0.00 0.09 -0.89 0.94 -1.51 0.00 0.00 179.97 178.60 2kkv n GLN 50 N -3.23 1.06 -3.71 0.20 -0.06 -0.28 -5.07 117.38 106.30 2kkv n GLN 50 Ca 0.00 -3.68 -0.37 0.00 -2.00 0.00 0.00 57.00 50.95 2kkv n GLN 50 Cb 0.35 -1.72 -0.06 0.00 -4.06 0.00 0.00 30.24 24.75 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 -1.08 4.43 0.65 1.69 1.98 -1.20 -4.06 118.68 121.08 2kkv s LEU 51 Ca 0.34 0.68 -0.01 0.00 -2.89 0.00 0.00 54.13 52.25 2kkv s LEU 51 Cb 0.09 -2.31 0.08 0.00 0.66 0.00 0.00 46.19 44.71 2kkv s LEU 51 CO -0.13 0.37 0.91 -0.54 -1.89 0.00 0.00 176.35 175.07 2kkv s LYS 52 N -1.08 2.11 0.00 1.98 1.02 -1.26 -4.96 119.74 117.55 2kkv s LYS 52 Ca 0.19 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2kkv s LYS 52 Cb -0.14 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2kkv s LYS 52 CO 0.08 -1.12 0.00 2.41 -0.92 0.00 0.00 175.35 175.81 2kkv n THR 53 N -2.65 0.00 0.00 2.17 -1.04 -1.26 -4.17 114.28 107.32 2kkv n THR 53 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2kkv n THR 53 Cb 0.60 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 -0.74 0.00 0.21 8.00 7.64 -1.26 -0.28 113.62 127.19 2kkv n SER 54 Ca 0.00 0.33 0.07 0.00 1.01 0.00 0.00 58.87 60.28 2kkv n SER 54 Cb 0.00 -0.33 0.48 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.96 -2.07 115.15 112.55 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 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2kkv h HIS 55 CO 0.00 0.27 -0.01 1.25 -0.00 0.00 0.00 177.93 179.44 2kkv h LEU 56 N 0.00 0.00 -0.16 2.43 5.85 -0.96 -2.51 115.31 119.96 2kkv h LEU 56 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kkv h LEU 56 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2kkv h LEU 56 CO 0.04 0.01 0.00 0.25 -0.34 0.00 0.00 178.44 178.39 2kkv h LEU 57 N 0.00 0.00 -0.35 2.25 5.85 -1.55 -3.36 115.31 118.15 2kkv h LEU 57 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2kkv h LEU 57 Cb 0.31 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.26 2kkv h LEU 57 CO 0.00 0.00 -0.22 0.00 -0.34 0.00 0.00 178.44 177.88 2kkv h ALA 58 N 2.41 0.01 -0.80 1.25 0.00 -1.58 0.20 119.26 120.74 2kkv h ALA 58 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2kkv h ALA 58 Cb 0.70 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2kkv h ALA 58 CO 0.00 -0.61 0.42 -1.35 0.00 0.00 0.00 179.25 177.71 2kkv h PRO 59 N -0.17 1.13 0.00 0.00 0.11 -1.82 -2.78 132.00 128.47 2kkv h PRO 59 Ca 0.18 -0.14 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 2kkv h PRO 59 Cb 0.44 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2kkv h PRO 59 CO -0.45 0.85 -0.29 0.82 -0.21 0.00 0.00 178.00 178.71 2kkv h ILE 60 N 1.13 0.67 0.00 4.15 5.03 -1.47 -2.71 117.51 124.32 2kkv h ILE 60 Ca 0.28 -1.32 -0.04 0.00 -0.12 0.00 0.00 64.86 63.66 2kkv h ILE 60 Cb 0.06 1.86 -0.01 0.00 -3.03 0.00 0.00 36.82 35.71 2kkv h ILE 60 CO -0.04 0.28 -0.20 0.07 -0.68 0.00 0.00 178.15 177.58 2kkv h LYS 61 N 0.00 0.00 -0.99 2.37 5.09 -0.37 -2.94 116.57 119.73 2kkv h LYS 61 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 60.65 60.85 2kkv h LYS 61 Cb 0.84 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 33.09 2kkv h LYS 61 CO 0.04 0.20 0.63 1.49 -2.09 0.00 0.00 179.45 179.71 2kkv h GLU 62 N 0.00 0.96 0.00 0.07 4.81 -1.52 -0.81 114.58 118.09 2kkv h GLU 62 Ca -0.00 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2kkv h GLU 62 Cb 0.60 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2kkv h GLU 62 CO 0.03 0.64 -0.52 -0.24 -0.73 0.00 0.00 179.01 178.18 2kkv h VAL 63 N 0.99 1.28 -0.04 0.32 3.04 -1.71 -0.03 116.25 120.10 2kkv h VAL 63 Ca 0.48 -1.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.33 2kkv h VAL 63 Cb 0.47 2.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2kkv h VAL 63 CO -0.25 0.51 0.02 -0.78 -1.01 0.00 0.00 177.57 176.06 2kkv h ASP 64 N 0.00 0.05 -0.11 3.17 3.58 -1.29 -0.72 116.42 121.11 2kkv h ASP 64 Ca -0.01 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.25 2kkv h ASP 64 Cb 0.98 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2kkv h ASP 64 CO 0.07 0.17 -0.12 0.74 -2.88 0.00 0.00 179.24 177.21 2kkv h THR 65 N -0.06 1.22 -0.81 2.25 2.02 -1.20 -2.68 112.91 113.65 2kkv h THR 65 Ca 0.01 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 2kkv h THR 65 Cb 0.13 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2kkv h THR 65 CO -0.00 0.31 0.37 0.28 0.37 0.00 0.00 175.52 176.85 2kkv h SER 66 N 0.41 1.08 0.00 4.18 0.02 -0.63 -3.47 113.55 115.14 2kkv h SER 66 Ca 0.08 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2kkv h SER 66 Cb 0.46 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2kkv h SER 66 CO 0.03 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 2kkv n GLY 67 N -0.95 1.02 3.38 -3.77 0.00 -0.37 -5.07 105.19 99.42 2kkv n GLY 67 Ca 0.08 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 2kkv n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkv s LYS 68 N 0.00 4.02 0.24 1.61 1.02 -0.66 -4.78 119.74 121.20 2kkv s LYS 68 Ca 0.00 -2.80 0.10 0.00 0.02 0.00 0.00 55.97 53.28 2kkv s LYS 68 Cb 0.00 -4.70 0.25 0.00 -0.52 0.00 0.00 37.83 32.86 2kkv s LYS 68 CO 0.00 -1.43 1.55 1.12 -0.92 0.00 0.00 175.35 175.67 2kkv h HIS 69 N 7.17 0.00 -0.36 3.18 2.07 -1.77 -3.31 115.15 122.13 2kkv h HIS 69 Ca 0.20 -0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.76 2kkv h HIS 69 Cb 0.91 -0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.85 2kkv h HIS 69 CO 0.93 0.69 0.12 0.22 -3.07 0.00 0.00 177.93 176.82 2kkv h ASP 70 N 0.00 0.12 0.05 3.10 3.58 -1.94 -1.93 116.42 119.39 2kkv h ASP 70 Ca -0.01 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kkv h ASP 70 Cb 1.22 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kkv h ASP 70 CO 0.09 0.11 -0.04 0.58 -2.88 0.00 0.00 179.24 177.10 2kkv h VAL 71 N 0.27 0.91 -0.59 2.25 2.07 -1.98 -1.79 116.25 117.38 2kkv h VAL 71 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 2kkv h VAL 71 Cb 0.14 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2kkv h VAL 71 CO -0.17 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.70 2kkv h ALA 72 N 0.86 0.77 -0.28 1.67 0.00 -1.62 -1.55 119.26 119.12 2kkv h ALA 72 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kkv h ALA 72 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kkv h ALA 72 CO -0.01 -0.08 0.12 1.96 0.00 0.00 0.00 179.25 181.25 2kkv h GLN 73 N 0.53 0.41 -0.27 0.00 1.08 -1.14 -2.43 115.11 113.29 2kkv h GLN 73 Ca 0.27 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2kkv h GLN 73 Cb 0.23 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2kkv h GLN 73 CO -0.21 0.42 0.17 0.00 -0.95 0.00 0.00 178.83 178.25 2kkv h ARG 74 N 0.31 0.36 -0.18 1.46 -0.00 -0.88 -2.56 114.38 112.90 2kkv h ARG 74 Ca 0.09 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.54 2kkv h ARG 74 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 2kkv h ARG 74 CO -0.01 0.26 0.06 -0.07 0.00 0.00 0.00 179.97 180.21 2kkv h LEU 75 N 0.37 0.26 -0.70 3.04 4.07 -0.81 -2.68 115.31 118.85 2kkv h LEU 75 Ca 0.10 -0.19 0.07 0.00 0.08 0.00 0.00 57.88 57.94 2kkv h LEU 75 Cb -0.02 -0.07 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 2kkv h LEU 75 CO -0.02 0.38 0.39 1.56 -1.08 0.00 0.00 178.44 179.67 2kkv h GLN 76 N 0.12 0.68 -0.99 1.13 4.20 -1.19 0.09 115.11 119.16 2kkv h GLN 76 Ca 0.06 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.81 2kkv h GLN 76 Cb 0.21 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 2kkv h GLN 76 CO -0.00 0.45 0.64 0.37 -0.67 0.00 0.00 178.83 179.62 2kkv h GLN 77 N 0.70 1.07 0.00 1.46 -0.00 -1.39 -2.00 115.11 114.95 2kkv h GLN 77 Ca 0.32 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.83 2kkv h GLN 77 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 2kkv h GLN 77 CO -0.20 0.71 -0.58 0.00 0.00 0.00 0.00 178.83 178.76 2kkv h ARG 78 N 1.10 0.00 -0.24 1.69 3.08 -0.78 -2.64 114.38 116.58 2kkv h ARG 78 Ca 0.45 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 2kkv h ARG 78 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kkv h ARG 78 CO -0.19 0.31 -0.01 0.28 -1.07 0.00 0.00 179.97 179.29 2kkv h VAL 79 N 0.00 1.26 0.00 2.04 2.07 -0.34 -1.64 116.25 119.64 2kkv h VAL 79 Ca -0.03 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 2kkv h VAL 79 Cb 1.30 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2kkv h VAL 79 CO 0.04 0.29 -0.48 0.00 0.02 0.00 0.00 177.57 177.44 2kkv h THR 80 N 0.21 1.34 -0.15 2.57 1.03 -1.48 0.09 112.91 116.52 2kkv h THR 80 Ca 0.07 -1.63 -0.04 0.00 -0.01 0.00 0.00 66.41 64.80 2kkv h THR 80 Cb 0.42 1.88 -0.01 0.00 -1.07 0.00 0.00 68.15 69.38 2kkv h THR 80 CO 0.01 0.47 -0.07 0.00 -0.01 0.00 0.00 175.52 175.92 2kkv h ALA 81 N 1.52 1.60 0.01 0.00 0.00 -1.22 -0.49 119.26 120.68 2kkv h ALA 81 Ca -0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2kkv h ALA 81 Cb 0.84 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kkv h ALA 81 CO 0.06 0.29 -0.57 0.82 0.00 0.00 0.00 179.25 179.86 2kkv h ILE 82 N 0.23 1.45 -0.60 0.00 2.04 -0.61 -3.36 117.51 116.67 2kkv h ILE 82 Ca 0.05 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2kkv h ILE 82 Cb 0.28 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2kkv h ILE 82 CO 0.01 0.60 0.39 -0.03 0.00 0.00 0.00 178.15 179.12 2kkv h MET 83 N -0.19 0.79 -0.12 2.37 4.05 -0.38 -1.74 114.93 119.71 2kkv h MET 83 Ca -0.07 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2kkv h MET 83 Cb 1.30 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 2kkv h MET 83 CO 0.11 0.53 0.02 0.07 0.23 0.00 0.00 176.91 177.87 2kkv h ARG 84 N 0.81 0.16 -0.39 0.39 0.11 -1.25 -0.80 114.38 113.41 2kkv h ARG 84 Ca 0.22 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 60.14 2kkv h ARG 84 Cb -0.08 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 30.96 2kkv h ARG 84 CO -0.05 0.16 -0.30 1.88 0.10 0.00 0.00 179.97 181.77 2kkv h TYR 85 N 0.16 1.06 -0.82 4.08 -1.99 -1.48 -0.99 116.97 116.98 2kkv h TYR 85 Ca 0.04 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 60.46 2kkv h TYR 85 Cb 0.09 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.55 2kkv h TYR 85 CO 0.00 1.10 0.45 0.00 -0.00 0.00 0.00 178.16 179.71 2kkv h ALA 86 N 0.79 1.25 -0.14 3.88 0.00 -1.14 -1.06 119.26 122.84 2kkv h ALA 86 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2kkv h ALA 86 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kkv h ALA 86 CO 0.08 0.61 -0.44 0.28 0.00 0.00 0.00 179.25 179.78 2kkv h VAL 87 N 1.15 1.32 -0.48 0.00 2.07 -1.06 0.37 116.25 119.61 2kkv h VAL 87 Ca 0.29 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2kkv h VAL 87 Cb 0.02 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2kkv h VAL 87 CO -0.05 0.49 0.15 -0.61 0.02 0.00 0.00 177.57 177.57 2kkv h GLN 88 N 0.28 0.74 -0.16 1.57 5.75 -0.14 -2.28 115.11 120.87 2kkv h GLN 88 Ca 0.02 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2kkv h GLN 88 Cb 0.89 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2kkv h GLN 88 CO 0.07 0.70 0.00 0.09 -2.65 0.00 0.00 178.83 177.04 2kkv n ASN 89 N -4.52 1.28 -2.77 -0.69 4.13 -0.50 -4.90 115.26 107.29 2kkv n ASN 89 Ca 0.01 -1.74 -0.20 0.00 1.68 0.00 0.00 54.58 54.33 2kkv n ASN 89 Cb 0.19 -0.11 0.04 0.00 -1.54 0.00 0.00 39.78 38.36 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kkv n ASP 90 N 0.10 -5.68 -0.00 6.41 2.03 -0.83 -4.91 116.55 113.67 2kkv n ASP 90 Ca 0.13 -0.29 -0.17 0.00 0.52 0.00 0.00 54.79 54.99 2kkv n ASP 90 Cb 0.25 -4.47 -0.11 0.00 -0.72 0.00 0.00 41.12 36.06 2kkv n ASP 90 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2kkv h TYR 91 N -1.40 0.46 -3.97 -0.67 0.05 -0.54 -3.46 116.97 107.44 2kkv h TYR 91 Ca -0.48 -0.26 -0.42 0.00 0.05 0.00 0.00 58.73 57.62 2kkv h TYR 91 Cb 1.33 -0.05 -0.22 0.00 1.01 0.00 0.00 36.73 38.79 2kkv h TYR 91 CO 0.46 1.09 -0.78 0.96 -1.05 0.00 0.00 178.16 178.84 2kkv s ILE 92 N -3.09 1.11 -0.03 -2.88 -4.36 -1.20 -4.98 121.20 105.78 2kkv s ILE 92 Ca -0.14 -1.22 0.07 0.00 -0.26 0.00 0.00 60.65 59.10 2kkv s ILE 92 Cb 0.02 -1.05 -0.11 0.00 1.25 0.00 0.00 42.46 42.57 2kkv s ILE 92 CO 0.79 -0.16 0.13 -0.67 0.24 0.00 0.00 174.94 175.27 2kkv n ASP 93 N 1.45 3.22 -4.81 4.36 2.03 -1.26 -4.10 116.55 117.44 2kkv n ASP 93 Ca -0.20 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.73 2kkv n ASP 93 Cb 0.54 1.16 -0.06 0.00 -0.72 0.00 0.00 41.12 42.04 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kkv s SER 94 N -3.18 6.85 -0.69 1.67 0.01 -1.26 -5.04 113.70 112.06 2kkv s SER 94 Ca -0.03 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.25 2kkv s SER 94 Cb 0.04 -2.28 0.17 0.00 0.21 0.00 0.00 66.02 64.16 2kkv s SER 94 CO 0.32 0.26 0.49 0.20 0.41 0.00 0.00 173.24 174.92 2kkv s ASN 95 N -0.79 5.09 0.09 2.44 -0.87 -1.26 -4.92 114.94 114.71 2kkv s ASN 95 Ca 0.25 -3.37 -0.05 0.00 -1.57 0.00 0.00 52.86 48.13 2kkv s ASN 95 Cb -0.17 -1.76 -0.24 0.00 -0.02 0.00 0.00 41.25 39.06 2kkv s ASN 95 CO 0.14 -0.22 1.17 -0.65 -2.57 0.00 0.00 177.10 174.98 2kkv h PRO 96 N 6.23 0.32 -0.00 -0.60 0.11 -1.93 -3.29 132.00 132.84 2kkv h PRO 96 Ca 0.05 -0.48 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2kkv h PRO 96 Cb 0.85 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2kkv h PRO 96 CO 0.74 1.20 -0.00 0.00 -0.21 0.00 0.00 178.00 179.73 2kkv n ALA 97 N -2.54 2.61 0.72 -0.75 0.00 -1.26 -3.22 120.51 116.06 2kkv n ALA 97 Ca -0.08 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.28 2kkv n ALA 97 Cb 0.98 -1.51 0.45 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.11 0.00 -0.54 0.00 7.64 -1.24 -2.33 113.62 116.04 2kkv n SER 98 Ca 0.20 0.50 0.11 0.00 1.01 0.00 0.00 58.87 60.69 2kkv n SER 98 Cb 0.16 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 62.87 2kkv n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kkv n ASP 99 N -1.50 2.10 -0.27 6.43 2.03 -1.20 -4.33 116.55 119.81 2kkv n ASP 99 Ca 0.05 -1.55 -0.04 0.00 0.52 0.00 0.00 54.79 53.77 2kkv n ASP 99 Cb 0.24 0.41 0.11 0.00 -0.72 0.00 0.00 41.12 41.17 2kkv n ASP 99 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2kkv h MET 100 N 2.64 1.13 -0.28 -0.67 2.86 -1.68 -1.05 114.93 117.88 2kkv h MET 100 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2kkv h MET 100 Cb 0.76 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2kkv h MET 100 CO 0.00 0.89 0.00 0.00 1.06 0.00 0.00 176.91 178.86 2kkv n ALA 101 N -2.43 2.47 0.05 6.32 0.00 -1.26 -4.13 120.51 121.53 2kkv n ALA 101 Ca 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 2kkv n ALA 101 Cb 0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 2kkv n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kkv h GLY 102 N 5.40 -0.24 -5.46 0.00 0.00 -1.42 -3.47 103.07 97.88 2kkv h GLY 102 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.49 2kkv h GLY 102 CO 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 176.54 176.25 2kkv s ALA 103 N -3.17 -2.09 -0.35 3.60 0.00 -1.25 -5.01 121.76 113.49 2kkv s ALA 103 Ca -0.05 2.09 0.05 0.00 0.00 0.00 0.00 51.96 54.06 2kkv s ALA 103 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 2kkv s ALA 103 CO 0.16 -1.09 0.32 1.47 0.00 0.00 0.00 175.76 176.62 2kkv n LEU 104 N 5.44 0.52 -0.73 0.00 -0.00 -1.26 -4.48 117.00 116.48 2kkv n LEU 104 Ca -0.07 -0.61 0.12 0.00 -0.00 0.00 0.00 56.01 55.44 2kkv n LEU 104 Cb 0.50 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 44.25 2kkv n LEU 104 CO -0.01 0.12 0.76 -1.20 -0.00 0.00 0.00 177.39 177.05 2kkv n SER 105 N -0.80 2.22 -4.55 1.45 7.64 -1.26 -4.82 113.62 113.50 2kkv n SER 105 Ca 0.02 -1.78 -0.40 0.00 1.01 0.00 0.00 58.87 57.72 2kkv n SER 105 Cb 0.10 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kkv s THR 106 N -1.78 3.63 0.20 0.44 -4.23 -1.26 -4.96 115.64 107.67 2kkv s THR 106 Ca 0.34 0.27 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 2kkv s THR 106 Cb 0.20 -4.65 0.02 0.00 1.34 0.00 0.00 72.50 69.40 2kkv s THR 106 CO 0.29 -1.59 0.14 0.35 -0.54 0.00 0.00 174.62 173.27 2kkv n THR 107 N 6.67 0.00 -0.14 3.99 -2.24 -1.26 -5.08 114.28 116.21 2kkv n THR 107 Ca 0.10 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2kkv n THR 107 Cb 0.50 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2kkv n THR 107 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kkv n LYS 108 N -0.94 -0.38 0.00 -0.78 4.01 -1.26 -5.07 118.16 113.74 2kkv n LYS 108 Ca -0.01 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 2kkv n LYS 108 Cb 0.23 -0.34 0.00 0.00 -0.51 0.00 0.00 35.03 34.40 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kkv n ALA 109 N -1.28 0.00 -2.54 7.82 0.00 -1.26 -5.15 120.51 118.10 2kkv n ALA 109 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2kkv n ALA 109 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 2kkv n ALA 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kkv s ARG 110 N -0.69 2.10 0.12 0.00 1.70 -1.26 -5.15 118.95 115.76 2kkv s ARG 110 Ca 0.00 -1.72 0.01 0.00 -0.47 0.00 0.00 55.73 53.55 2kkv s ARG 110 Cb 0.00 -1.96 0.01 0.00 -0.57 0.00 0.00 34.95 32.43 2kkv s ARG 110 CO 0.00 0.15 0.05 0.72 -1.08 0.00 0.00 175.30 175.13 2kkv n HIS 111 N -0.96 -0.55 -2.45 5.89 8.25 -1.26 -5.11 115.22 119.04 2kkv n HIS 111 Ca -0.04 -0.53 -0.39 0.00 -0.26 0.00 0.00 57.72 56.50 2kkv n HIS 111 Cb 0.62 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 2kkv n HIS 111 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2kkv s TYR 112 N -0.98 3.42 0.40 4.41 1.51 -1.26 -4.96 117.35 119.89 2kkv s TYR 112 Ca 0.03 1.65 -0.23 0.00 -1.01 0.00 0.00 57.07 57.51 2kkv s TYR 112 Cb -0.00 -3.29 -0.12 0.00 -0.11 0.00 0.00 41.96 38.44 2kkv s TYR 112 CO 0.02 -0.74 0.68 -2.30 -1.11 0.00 0.00 175.55 172.11 2kkv n PRO 113 N 0.75 0.76 0.06 -1.71 -0.02 -1.26 -4.89 135.00 128.69 2kkv n PRO 113 Ca 0.01 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.75 2kkv n PRO 113 Cb 0.46 -1.62 0.27 0.00 -0.02 0.00 0.00 33.50 32.58 2kkv n PRO 113 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 2kkv h LEU 114 N 1.05 0.37 -9.52 2.45 -0.00 -2.07 -3.41 115.31 104.17 2kkv h LEU 114 Ca -0.40 -0.11 -0.56 0.00 -0.00 0.00 0.00 57.88 56.81 2kkv h LEU 114 Cb 1.38 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.90 2kkv h LEU 114 CO 0.54 0.60 0.05 -0.70 -0.00 0.00 0.00 178.44 178.93 2kkv s GLU 115 N -4.55 4.39 0.00 0.17 -6.30 -1.26 -4.89 118.70 106.26 2kkv s GLU 115 Ca -0.06 0.86 0.00 0.00 -2.50 0.00 0.00 54.97 53.27 2kkv s GLU 115 Cb 0.14 -3.35 0.00 0.00 0.00 0.00 0.00 34.13 30.92 2kkv s GLU 115 CO 0.77 0.32 0.06 1.58 0.02 0.00 0.00 175.26 178.01 2kkv n HIS 116 N 2.80 0.00 -2.09 5.30 -0.00 -1.26 -5.11 115.22 114.85 2kkv n HIS 116 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.55 2kkv n HIS 116 Cb 0.51 0.01 0.07 0.00 -0.00 0.00 0.00 29.99 30.58 2kkv n HIS 116 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kkv n HIS 117 N 0.00 -3.45 -3.59 1.57 8.25 -1.26 -5.10 115.22 111.64 2kkv n HIS 117 Ca 0.00 -0.77 -0.27 0.00 -0.26 0.00 0.00 57.72 56.43 2kkv n HIS 117 Cb 0.29 -0.41 -0.17 0.00 1.12 0.00 0.00 29.99 30.82 2kkv n HIS 117 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kkv s HIS 118 N -1.75 0.21 -0.05 4.41 -3.43 -1.26 -5.12 115.29 108.30 2kkv s HIS 118 Ca 0.34 -0.42 -0.30 0.00 -0.80 0.00 0.00 55.06 53.88 2kkv s HIS 118 Cb -0.02 -0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 30.37 2kkv s HIS 118 CO 0.23 -0.58 1.16 -1.58 -2.00 0.00 0.00 174.74 171.97 2kkv s HIS 119 N 2.13 3.28 -1.11 0.38 2.46 -1.26 -4.91 115.29 116.27 2kkv s HIS 119 Ca 0.03 1.30 -0.08 0.00 0.47 0.00 0.00 55.06 56.79 2kkv s HIS 119 Cb -0.16 -3.37 -0.11 0.00 -0.13 0.00 0.00 32.58 28.81 2kkv s HIS 119 CO -0.15 -1.08 2.80 1.58 -2.47 0.00 0.00 174.74 175.42 2kkv n HIS 120 N 5.02 1.64 -0.06 3.88 -0.00 -1.26 -5.32 115.22 119.12 2kkv n HIS 120 Ca 0.10 -2.43 0.00 0.00 0.46 0.00 0.00 57.72 55.85 2kkv n HIS 120 Cb 0.47 -2.06 0.00 0.00 -0.12 0.00 0.00 29.99 28.27 2kkv n HIS 120 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38