#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv n GLU 2 N 0.00 -4.03 -4.32 2.12 4.71 -1.26 -5.02 120.64 112.85 2kkv n GLU 2 Ca 0.00 2.99 -0.35 0.00 -0.01 0.00 0.00 57.16 59.80 2kkv n GLU 2 Cb 0.00 -3.09 -0.10 0.00 -1.01 0.00 0.00 31.44 27.24 2kkv n GLU 2 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2kkv s ASN 3 N -0.37 5.24 0.12 1.62 3.84 -1.26 -5.11 114.94 119.02 2kkv s ASN 3 Ca 0.00 0.10 -0.03 0.00 0.21 0.00 0.00 52.86 53.14 2kkv s ASN 3 Cb 0.00 -1.61 -0.03 0.00 -0.55 0.00 0.00 41.25 39.06 2kkv s ASN 3 CO 0.00 0.32 0.09 -0.55 -2.79 0.00 0.00 177.10 174.17 2kkv s SER 4 N -0.51 0.28 -0.26 -4.21 0.15 -1.26 -5.14 113.70 102.75 2kkv s SER 4 Ca 0.09 -1.08 -0.02 0.00 0.70 0.00 0.00 55.95 55.64 2kkv s SER 4 Cb -0.12 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2kkv s SER 4 CO 0.02 -0.74 0.07 -0.83 1.20 0.00 0.00 173.24 172.96 2kkv s GLY 5 N -3.00 0.91 0.30 9.45 0.00 -1.26 -5.11 107.32 108.61 2kkv s GLY 5 Ca 0.19 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.54 2kkv s GLY 5 CO -0.01 1.54 0.58 0.00 0.00 0.00 0.00 173.10 175.21 2kkv n ALA 6 N 4.94 -1.25 0.40 3.20 0.00 -1.26 -5.03 120.51 121.51 2kkv n ALA 6 Ca -0.05 -0.99 0.08 0.00 0.00 0.00 0.00 53.44 52.48 2kkv n ALA 6 Cb 0.44 0.79 0.11 0.00 0.00 0.00 0.00 19.45 20.78 2kkv n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kkv n TYR 7 N -0.41 0.18 -1.74 0.00 0.18 -1.26 -4.94 117.16 109.17 2kkv n TYR 7 Ca -0.06 -0.14 -0.41 0.00 1.88 0.00 0.00 57.90 59.17 2kkv n TYR 7 Cb 0.45 -0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.42 2kkv n TYR 7 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 2kkv n THR 8 N 0.88 2.58 -0.34 -3.48 -1.04 -1.26 -4.39 114.28 107.23 2kkv n THR 8 Ca 0.11 -0.50 0.22 0.00 -2.04 0.00 0.00 64.05 61.84 2kkv n THR 8 Cb 0.42 -1.73 0.48 0.00 -1.82 0.00 0.00 70.33 67.67 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 2.29 0.76 -1.00 -1.42 3.04 -1.95 -1.64 116.94 117.02 2kkv h PHE 9 Ca -0.49 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.50 2kkv h PHE 9 Cb 1.28 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.52 2kkv h PHE 9 CO 0.49 0.04 0.66 0.93 -2.02 0.00 0.00 178.31 178.42 2kkv h GLU 10 N 0.43 1.31 -0.02 1.11 5.08 -2.00 -2.59 114.58 117.91 2kkv h GLU 10 Ca 0.63 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.79 2kkv h GLU 10 Cb 1.49 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2kkv h GLU 10 CO -0.36 0.87 -0.53 0.00 -1.00 0.00 0.00 179.01 177.99 2kkv h THR 11 N 1.35 1.38 -0.19 1.13 1.03 -1.65 -0.38 112.91 115.58 2kkv h THR 11 Ca 0.37 -1.81 -0.10 0.00 -0.01 0.00 0.00 66.41 64.85 2kkv h THR 11 Cb -0.14 1.95 -0.00 0.00 -1.07 0.00 0.00 68.15 68.89 2kkv h THR 11 CO -0.08 0.52 -0.29 0.40 -0.01 0.00 0.00 175.52 176.06 2kkv h ILE 12 N 0.05 1.34 -0.43 0.00 1.08 -1.56 -2.73 117.51 115.27 2kkv h ILE 12 Ca -0.00 -1.50 -0.06 0.00 -0.39 0.00 0.00 64.86 62.91 2kkv h ILE 12 Cb 0.95 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.53 2kkv h ILE 12 CO 0.07 0.46 0.03 0.00 -0.69 0.00 0.00 178.15 178.02 2kkv h ALA 13 N 0.61 1.26 -0.51 1.87 0.00 -1.22 -2.76 119.26 118.51 2kkv h ALA 13 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kkv h ALA 13 Cb 0.86 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kkv h ALA 13 CO 0.07 0.50 0.33 0.00 0.00 0.00 0.00 179.25 180.14 2kkv h ARG 14 N 0.64 0.65 0.18 0.00 -0.00 -0.99 -2.78 114.38 112.08 2kkv h ARG 14 Ca 0.14 -0.04 0.01 0.00 -0.50 0.00 0.00 59.98 59.59 2kkv h ARG 14 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 30.15 2kkv h ARG 14 CO 0.01 0.43 -0.25 1.49 0.00 0.00 0.00 179.97 181.65 2kkv h GLU 15 N 0.67 -0.47 0.18 0.04 4.57 -1.17 -0.78 114.58 117.62 2kkv h GLU 15 Ca 0.19 0.03 -0.31 0.00 -1.18 0.00 0.00 59.36 58.10 2kkv h GLU 15 Cb -0.05 0.11 0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2kkv h GLU 15 CO -0.05 -0.31 -1.35 0.11 -1.18 0.00 0.00 179.01 176.22 2kkv h TRP 16 N -0.49 0.82 0.00 0.92 5.08 -1.65 -3.29 115.95 117.34 2kkv h TRP 16 Ca 0.01 -0.58 -0.03 0.00 1.08 0.00 0.00 58.89 59.38 2kkv h TRP 16 Cb 0.48 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2kkv h TRP 16 CO -0.20 1.44 -0.13 1.25 -1.28 0.00 0.00 178.44 179.53 2kkv h HIS 17 N 0.15 0.00 0.00 0.12 2.76 -1.32 -2.83 115.15 114.02 2kkv h HIS 17 Ca -0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2kkv h HIS 17 Cb 2.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.00 2kkv h HIS 17 CO 0.10 0.13 0.23 0.39 -1.30 0.00 0.00 177.93 177.48 2kkv n GLU 18 N -3.65 0.10 -0.27 5.26 -0.58 -0.31 -0.63 120.64 120.56 2kkv n GLU 18 Ca -0.02 0.58 -0.02 0.00 -0.42 0.00 0.00 57.16 57.28 2kkv n GLU 18 Cb 0.25 -2.05 0.15 0.00 -0.57 0.00 0.00 31.44 29.22 2kkv n GLU 18 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kkv h SER 19 N 0.00 1.00 -2.97 1.62 0.87 -1.75 -3.34 113.55 108.98 2kkv h SER 19 Ca 0.00 -0.08 -0.60 0.00 -1.23 0.00 0.00 61.79 59.88 2kkv h SER 19 Cb 0.45 -0.25 -0.40 0.00 -0.44 0.00 0.00 62.40 61.76 2kkv h SER 19 CO 0.00 0.80 -0.79 0.54 -0.53 0.00 0.00 176.83 176.85 2kkv s ASN 20 N -6.32 3.15 0.52 6.23 4.22 0.20 -5.12 114.94 117.81 2kkv s ASN 20 Ca -0.12 -3.00 -0.08 0.00 -2.14 0.00 0.00 52.86 47.53 2kkv s ASN 20 Cb 0.17 -0.92 -0.04 0.00 1.28 0.00 0.00 41.25 41.74 2kkv s ASN 20 CO 0.81 -0.20 0.87 -0.75 -2.04 0.00 0.00 177.10 175.79 2kkv s LYS 21 N -0.07 3.60 -0.05 3.55 2.20 -1.25 -5.01 119.74 122.71 2kkv s LYS 21 Ca 0.24 0.43 0.04 0.00 -0.36 0.00 0.00 55.97 56.33 2kkv s LYS 21 Cb -0.11 -2.28 -0.02 0.00 -1.51 0.00 0.00 37.83 33.91 2kkv s LYS 21 CO -0.10 -0.30 -0.17 0.50 -0.36 0.00 0.00 175.35 174.92 2kkv s ARG 22 N -4.75 2.51 1.03 4.03 3.00 -1.26 -5.13 118.95 118.39 2kkv s ARG 22 Ca 0.51 -0.74 -0.16 0.00 -1.00 0.00 0.00 55.73 54.33 2kkv s ARG 22 Cb -0.10 -2.33 0.22 0.00 0.00 0.00 0.00 34.95 32.73 2kkv s ARG 22 CO 0.46 0.57 1.22 -1.58 0.00 0.00 0.00 175.30 175.97 2kkv s TRP 23 N -0.60 1.40 -0.91 5.12 0.51 -1.26 -4.40 118.94 118.81 2kkv s TRP 23 Ca 0.09 0.46 -0.02 0.00 -2.12 0.00 0.00 56.10 54.50 2kkv s TRP 23 Cb -0.11 -3.78 0.00 0.00 -0.81 0.00 0.00 33.47 28.77 2kkv s TRP 23 CO 0.01 -2.99 0.77 0.43 -0.51 0.00 0.00 176.95 174.66 2kkv n SER 24 N -4.08 -3.16 0.32 2.95 7.64 -1.26 -4.90 113.62 111.13 2kkv n SER 24 Ca 0.13 -0.43 0.20 0.00 1.01 0.00 0.00 58.87 59.78 2kkv n SER 24 Cb 0.59 -3.82 1.04 0.00 -1.01 0.00 0.00 64.21 61.02 2kkv n SER 24 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2kkv h GLU 25 N -1.58 0.00 -0.94 1.43 4.11 -2.04 -1.22 114.58 114.34 2kkv h GLU 25 Ca -0.42 0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.28 2kkv h GLU 25 Cb 1.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 2kkv h GLU 25 CO 0.38 0.01 0.67 -0.44 0.07 0.00 0.00 179.01 179.70 2kkv h ASP 26 N 0.00 0.05 0.53 3.06 5.19 -1.97 0.34 116.42 123.62 2kkv h ASP 26 Ca -0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2kkv h ASP 26 Cb 0.11 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2kkv h ASP 26 CO 0.00 0.02 -0.05 0.45 -3.12 0.00 0.00 179.24 176.54 2kkv h HIS 27 N 0.05 0.00 -1.29 4.55 3.86 -1.59 -3.25 115.15 117.48 2kkv h HIS 27 Ca 0.45 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 60.06 2kkv h HIS 27 Cb 1.73 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 30.10 2kkv h HIS 27 CO -0.00 0.05 0.86 -0.09 0.86 0.00 0.00 177.93 179.60 2kkv h ARG 28 N 0.00 0.14 -0.53 2.45 1.12 -0.50 0.47 114.38 117.53 2kkv h ARG 28 Ca -0.00 -0.01 0.08 0.00 -1.11 0.00 0.00 59.98 58.94 2kkv h ARG 28 Cb 0.32 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.19 2kkv h ARG 28 CO 0.01 0.09 0.18 0.77 -3.11 0.00 0.00 179.97 177.91 2kkv h SER 29 N 0.15 0.16 0.59 -3.80 0.02 -1.78 0.36 113.55 109.26 2kkv h SER 29 Ca 0.74 0.07 -0.28 0.00 -0.84 0.00 0.00 61.79 61.48 2kkv h SER 29 Cb 2.37 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.97 2kkv h SER 29 CO -0.30 0.11 -1.33 0.03 -1.14 0.00 0.00 176.83 174.20 2kkv h ARG 30 N 0.35 0.24 -0.30 3.45 -0.00 -0.43 -3.27 114.38 114.43 2kkv h ARG 30 Ca 0.26 -0.41 -0.03 0.00 -0.50 0.00 0.00 59.98 59.31 2kkv h ARG 30 Cb 0.31 0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.41 2kkv h ARG 30 CO -0.28 1.15 0.06 0.28 0.00 0.00 0.00 179.97 181.19 2kkv h VAL 31 N 0.07 1.15 -0.91 2.04 2.07 -0.58 -2.01 116.25 118.07 2kkv h VAL 31 Ca -0.17 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 66.91 2kkv h VAL 31 Cb 1.97 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 2kkv h VAL 31 CO 0.18 0.19 0.57 0.25 0.02 0.00 0.00 177.57 178.78 2kkv h LEU 32 N 0.42 0.88 -0.92 2.57 5.85 -0.34 0.34 115.31 124.12 2kkv h LEU 32 Ca 0.10 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2kkv h LEU 32 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2kkv h LEU 32 CO -0.00 0.55 -0.19 0.03 -0.34 0.00 0.00 178.44 178.48 2kkv h ARG 33 N 1.01 0.57 -0.10 1.25 -0.00 -1.49 -1.77 114.38 113.86 2kkv h ARG 33 Ca 0.41 -0.20 -0.17 0.00 -0.50 0.00 0.00 59.98 59.52 2kkv h ARG 33 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 2kkv h ARG 33 CO -0.19 0.74 -0.66 -0.92 0.00 0.00 0.00 179.97 178.94 2kkv h TYR 34 N 0.52 0.50 0.27 3.04 3.20 -1.05 -2.42 116.97 121.02 2kkv h TYR 34 Ca 0.08 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 2kkv h TYR 34 Cb 0.62 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2kkv h TYR 34 CO 0.02 0.93 -0.13 1.25 -1.64 0.00 0.00 178.16 178.59 2kkv h LEU 35 N 0.27 -0.31 -1.05 2.82 5.85 0.12 0.97 115.31 123.99 2kkv h LEU 35 Ca -0.02 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 2kkv h LEU 35 Cb 1.20 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2kkv h LEU 35 CO 0.11 -0.20 -0.45 1.05 -0.34 0.00 0.00 178.44 178.62 2kkv h GLU 36 N -0.39 0.00 0.08 1.25 4.11 -1.37 0.59 114.58 118.85 2kkv h GLU 36 Ca -0.04 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.11 2kkv h GLU 36 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2kkv h GLU 36 CO 0.06 0.45 -1.45 -0.07 0.07 0.00 0.00 179.01 178.07 2kkv h LEU 37 N 0.00 0.28 0.00 3.06 3.38 -1.30 -2.72 115.31 118.00 2kkv h LEU 37 Ca -0.00 -0.38 -0.40 0.00 0.09 0.00 0.00 57.88 57.19 2kkv h LEU 37 Cb 0.85 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 2kkv h LEU 37 CO 0.06 1.31 -2.39 0.00 0.09 0.00 0.00 178.44 177.51 2kkv n TYR 38 N -3.39 0.00 -0.06 1.13 9.36 0.32 -4.17 117.16 120.36 2kkv n TYR 38 Ca -0.13 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.95 2kkv n TYR 38 Cb 1.03 -0.91 -0.14 0.00 -0.63 0.00 0.00 39.34 38.68 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 -3.75 1.57 -2.70 2.97 5.41 0.07 -4.46 119.36 118.47 2kkv n ILE 39 Ca -0.47 -0.74 -0.26 0.00 1.00 0.00 0.00 62.75 62.28 2kkv n ILE 39 Cb 0.89 -1.10 -0.01 0.00 -0.71 0.00 0.00 39.64 38.71 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 -3.10 3.40 0.29 1.39 3.72 -0.43 -4.94 117.46 117.79 2kkv n PHE 40 Ca -0.30 -3.47 -0.16 0.00 -0.05 0.00 0.00 57.45 53.48 2kkv n PHE 40 Cb 1.07 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 39.26 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 2.78 -0.70 -0.02 -1.08 0.13 -1.64 -1.48 132.00 129.99 2kkv h PRO 41 Ca 0.20 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2kkv h PRO 41 Cb 0.78 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kkv h PRO 41 CO 0.80 -0.40 -0.20 0.72 -0.23 0.00 0.00 178.00 178.69 2kkv n HIS 42 N -5.34 0.00 -0.30 1.56 8.25 -1.26 -4.44 115.22 113.68 2kkv n HIS 42 Ca -0.12 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.37 2kkv n HIS 42 Cb 0.32 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.48 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 0.38 1.25 0.33 1.59 -5.35 -1.23 -4.66 119.36 111.68 2kkv n ILE 43 Ca 0.09 -1.35 0.11 0.00 -0.27 0.00 0.00 62.75 61.32 2kkv n ILE 43 Cb 0.40 0.29 0.48 0.00 -1.74 0.00 0.00 39.64 39.07 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 -0.72 -1.13 0.41 3.28 0.00 -0.56 -1.30 105.19 105.18 2kkv n GLY 44 Ca 0.05 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.16 1.33 -4.25 1.61 3.41 -1.26 -4.75 113.62 107.55 2kkv n SER 45 Ca 0.01 -1.37 -0.39 0.00 -0.26 0.00 0.00 58.87 56.86 2kkv n SER 45 Cb 0.17 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.08 5.48 0.66 4.04 0.01 -0.42 -5.08 113.70 116.31 2kkv s SER 46 Ca 0.36 -1.48 -0.09 0.00 1.31 0.00 0.00 55.95 56.05 2kkv s SER 46 Cb 0.21 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.53 2kkv s SER 46 CO 0.36 -0.48 1.01 -0.62 0.41 0.00 0.00 173.24 173.93 2kkv s ASP 47 N 1.88 5.47 0.04 2.44 2.15 -1.26 -4.96 116.67 122.42 2kkv s ASP 47 Ca 0.02 0.92 0.20 0.00 0.43 0.00 0.00 52.55 54.12 2kkv s ASP 47 Cb -0.22 -1.79 0.84 0.00 -0.30 0.00 0.00 42.92 41.45 2kkv s ASP 47 CO 0.01 -1.24 1.64 0.00 -0.17 0.00 0.00 175.17 175.41 2kkv n ILE 48 N -2.83 0.68 -0.26 4.11 3.06 -1.26 -2.73 119.36 120.13 2kkv n ILE 48 Ca 0.06 0.15 0.05 0.00 -2.50 0.00 0.00 62.75 60.52 2kkv n ILE 48 Cb 0.58 -0.86 0.19 0.00 0.54 0.00 0.00 39.64 40.09 2kkv n ILE 48 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2kkv h ARG 49 N 0.00 0.42 -2.56 9.51 1.12 -1.93 -3.24 114.38 117.69 2kkv h ARG 49 Ca 0.00 -0.03 -0.59 0.00 -1.11 0.00 0.00 59.98 58.25 2kkv h ARG 49 Cb 0.36 -0.10 -0.39 0.00 -0.01 0.00 0.00 29.97 29.83 2kkv h ARG 49 CO 0.00 0.28 -0.88 -1.14 -3.11 0.00 0.00 179.97 175.12 2kkv s GLN 50 N -6.02 1.10 -0.09 0.20 -0.44 -1.11 -4.87 119.66 108.43 2kkv s GLN 50 Ca -0.12 -2.15 -0.24 0.00 -2.50 0.00 0.00 55.36 50.35 2kkv s GLN 50 Cb 0.21 -1.77 -0.03 0.00 -1.64 0.00 0.00 33.01 29.78 2kkv s GLN 50 CO 0.76 -1.32 0.74 -1.17 0.50 0.00 0.00 175.29 174.80 2kkv s LEU 51 N 0.04 4.28 0.61 3.68 1.98 -1.23 -4.70 118.68 123.33 2kkv s LEU 51 Ca 0.28 1.19 -0.02 0.00 -2.89 0.00 0.00 54.13 52.69 2kkv s LEU 51 Cb -0.04 -3.13 0.04 0.00 0.66 0.00 0.00 46.19 43.71 2kkv s LEU 51 CO -0.14 -0.20 0.87 -0.54 -1.89 0.00 0.00 176.35 174.45 2kkv s LYS 52 N 1.19 2.45 0.00 1.98 1.02 -1.26 -4.81 119.74 120.31 2kkv s LYS 52 Ca 0.38 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2kkv s LYS 52 Cb -0.18 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2kkv s LYS 52 CO 0.17 -0.89 0.00 2.41 -0.92 0.00 0.00 175.35 176.12 2kkv n THR 53 N -2.56 0.00 0.28 2.17 -1.04 -1.26 -4.80 114.28 107.06 2kkv n THR 53 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2kkv n THR 53 Cb 0.60 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 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 -0.69 0.14 0.11 8.00 7.64 -1.26 -2.69 113.62 124.87 2kkv n SER 54 Ca 0.00 -0.42 -0.03 0.00 1.01 0.00 0.00 58.87 59.42 2kkv n SER 54 Cb 0.00 -0.07 0.12 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.53 0.12 0.00 1.43 -0.00 -1.95 -2.74 115.15 112.54 2kkv h HIS 55 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2kkv h HIS 55 Cb 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2kkv h HIS 55 CO 0.00 0.73 0.00 1.47 -0.00 0.00 0.00 177.93 180.13 2kkv n LEU 56 N -3.78 0.76 0.20 2.43 -0.00 -1.09 -3.12 117.00 112.39 2kkv n LEU 56 Ca -0.02 0.60 0.04 0.00 -0.00 0.00 0.00 56.01 56.64 2kkv n LEU 56 Cb 0.65 -0.40 0.43 0.00 -0.00 0.00 0.00 43.42 44.11 2kkv n LEU 56 CO 0.44 -0.29 0.78 0.25 -0.00 0.00 0.00 177.39 178.57 2kkv h LEU 57 N 0.00 0.00 0.04 1.47 6.46 -1.71 -3.29 115.31 118.27 2kkv h LEU 57 Ca 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2kkv h LEU 57 Cb 0.63 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 2kkv h LEU 57 CO 0.00 0.31 -0.38 0.00 -0.62 0.00 0.00 178.44 177.75 2kkv h ALA 58 N 1.69 -0.60 0.00 1.25 0.00 -1.66 -1.32 119.26 118.61 2kkv h ALA 58 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kkv h ALA 58 Cb 0.58 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kkv h ALA 58 CO 0.04 -0.91 -0.03 -1.35 0.00 0.00 0.00 179.25 176.99 2kkv h PRO 59 N -0.56 0.00 0.00 0.00 0.11 -1.81 -1.55 132.00 128.19 2kkv h PRO 59 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 2kkv h PRO 59 Cb 0.62 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2kkv h PRO 59 CO -0.27 0.03 -0.24 0.82 -0.21 0.00 0.00 178.00 178.13 2kkv h ILE 60 N 0.00 0.60 0.00 4.15 1.08 -1.38 -2.98 117.51 118.98 2kkv h ILE 60 Ca -0.00 -1.16 -0.02 0.00 -0.39 0.00 0.00 64.86 63.28 2kkv h ILE 60 Cb 0.07 1.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 2kkv h ILE 60 CO 0.00 0.24 -0.11 0.50 -0.69 0.00 0.00 178.15 178.09 2kkv h LYS 61 N 0.00 0.00 -0.14 2.37 3.11 -0.59 -2.11 116.57 119.21 2kkv h LYS 61 Ca -0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 2kkv h LYS 61 Cb 0.76 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2kkv h LYS 61 CO 0.03 0.11 -0.10 1.49 -2.81 0.00 0.00 179.45 178.17 2kkv h GLU 62 N 0.00 0.32 0.00 1.90 4.57 -1.66 -1.94 114.58 117.77 2kkv h GLU 62 Ca -0.00 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 2kkv h GLU 62 Cb 0.25 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2kkv h GLU 62 CO 0.01 0.68 -0.42 -0.24 -1.18 0.00 0.00 179.01 177.87 2kkv h VAL 63 N -0.04 1.13 0.61 0.32 3.04 -1.63 -0.28 116.25 119.40 2kkv h VAL 63 Ca 0.03 -1.53 -0.02 0.00 -1.01 0.00 0.00 66.70 64.16 2kkv h VAL 63 Cb 0.61 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 2kkv h VAL 63 CO 0.03 0.41 -0.39 -0.78 -1.01 0.00 0.00 177.57 175.83 2kkv h ASP 64 N 0.00 -0.97 1.23 3.17 3.58 -1.26 -2.55 116.42 119.62 2kkv h ASP 64 Ca -0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kkv h ASP 64 Cb 0.83 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2kkv h ASP 64 CO 0.05 -0.60 0.00 0.74 -2.88 0.00 0.00 179.24 176.56 2kkv h THR 65 N -0.95 0.00 0.00 2.25 2.02 -1.15 -1.51 112.91 113.57 2kkv h THR 65 Ca -0.08 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2kkv h THR 65 Cb 0.77 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2kkv h THR 65 CO 0.07 0.00 0.00 -1.28 0.37 0.00 0.00 175.52 174.68 2kkv h SER 66 N 0.00 0.00 0.00 4.18 0.87 -0.88 -3.45 113.55 114.27 2kkv h SER 66 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kkv h SER 66 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2kkv h SER 66 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2kkv n GLY 67 N -0.38 1.37 2.11 5.77 0.00 -0.91 -4.98 105.19 108.16 2kkv n GLY 67 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 2.14 -0.22 1.61 4.76 -0.98 -4.67 118.16 120.81 2kkv n LYS 68 Ca 0.00 -2.70 0.02 0.00 -2.87 0.00 0.00 58.31 52.76 2kkv n LYS 68 Cb 0.00 -2.06 0.12 0.00 -1.84 0.00 0.00 35.03 31.25 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 0.96 -0.05 -0.12 2.13 2.07 -1.42 0.33 115.15 119.05 2kkv h HIS 69 Ca 0.57 0.05 -0.17 0.00 -2.85 0.00 0.00 60.37 57.96 2kkv h HIS 69 Cb 2.55 0.12 -0.00 0.00 2.57 0.00 0.00 27.41 32.65 2kkv h HIS 69 CO 1.42 -0.19 -0.66 0.38 -3.07 0.00 0.00 177.93 175.81 2kkv h ASP 70 N 0.11 0.53 -0.38 3.10 2.03 -1.87 -2.26 116.42 117.68 2kkv h ASP 70 Ca 0.35 -0.32 -0.11 0.00 -0.73 0.00 0.00 57.03 56.22 2kkv h ASP 70 Cb 0.58 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.92 2kkv h ASP 70 CO -0.57 1.05 -0.20 0.58 -1.03 0.00 0.00 179.24 179.06 2kkv h VAL 71 N 0.33 1.28 -0.35 4.15 2.07 -1.59 -2.15 116.25 120.00 2kkv h VAL 71 Ca -0.02 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2kkv h VAL 71 Cb 1.22 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 2kkv h VAL 71 CO 0.12 0.44 0.19 0.00 0.02 0.00 0.00 177.57 178.34 2kkv h ALA 72 N 0.80 0.45 -0.51 1.67 0.00 -0.31 -1.71 119.26 119.64 2kkv h ALA 72 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kkv h ALA 72 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kkv h ALA 72 CO 0.06 -0.02 0.33 1.96 0.00 0.00 0.00 179.25 181.58 2kkv h GLN 73 N 0.44 0.65 -0.42 0.00 1.08 -1.38 -1.66 115.11 113.82 2kkv h GLN 73 Ca 0.12 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2kkv h GLN 73 Cb 0.07 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2kkv h GLN 73 CO -0.02 0.43 0.28 0.00 -0.95 0.00 0.00 178.83 178.57 2kkv h ARG 74 N 0.67 0.35 -0.41 1.46 3.08 -1.08 -0.13 114.38 118.32 2kkv h ARG 74 Ca 0.19 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 2kkv h ARG 74 Cb -0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2kkv h ARG 74 CO -0.06 0.23 0.02 -0.07 -1.07 0.00 0.00 179.97 179.03 2kkv h LEU 75 N 0.36 0.70 -0.31 3.04 3.38 -0.39 -1.88 115.31 120.22 2kkv h LEU 75 Ca 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2kkv h LEU 75 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kkv h LEU 75 CO -0.04 0.82 0.16 1.56 0.09 0.00 0.00 178.44 181.03 2kkv h GLN 76 N 0.55 0.43 0.00 1.13 4.20 -0.72 -0.54 115.11 120.17 2kkv h GLN 76 Ca 0.12 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kkv h GLN 76 Cb 0.45 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 2kkv h GLN 76 CO 0.02 0.38 -0.01 1.96 -0.67 0.00 0.00 178.83 180.51 2kkv h GLN 77 N 0.37 0.00 0.19 1.46 4.20 -0.98 0.16 115.11 120.51 2kkv h GLN 77 Ca 0.11 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.51 2kkv h GLN 77 Cb 0.08 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.87 2kkv h GLN 77 CO -0.02 0.01 -1.45 0.00 -0.67 0.00 0.00 178.83 176.70 2kkv h ARG 78 N 0.00 0.39 -0.83 1.46 3.08 -0.56 -3.23 114.38 114.69 2kkv h ARG 78 Ca -0.00 -0.67 -0.00 0.00 0.07 0.00 0.00 59.98 59.37 2kkv h ARG 78 Cb 0.17 0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2kkv h ARG 78 CO 0.00 1.32 0.51 0.28 -1.07 0.00 0.00 179.97 181.01 2kkv h VAL 79 N -0.05 1.23 -0.99 2.04 2.07 0.34 -0.73 116.25 120.16 2kkv h VAL 79 Ca -0.28 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2kkv h VAL 79 Cb 1.98 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2kkv h VAL 79 CO 0.18 0.24 0.64 0.71 0.02 0.00 0.00 177.57 179.36 2kkv h THR 80 N 1.14 1.26 -0.51 2.57 1.35 -0.90 0.98 112.91 118.80 2kkv h THR 80 Ca 0.30 -0.50 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 2kkv h THR 80 Cb -0.05 -0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 66.16 2kkv h THR 80 CO -0.06 0.26 0.07 0.00 -0.25 0.00 0.00 175.52 175.54 2kkv h ALA 81 N 1.35 0.68 -0.91 6.62 0.00 -1.43 -1.21 119.26 124.36 2kkv h ALA 81 Ca 0.36 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kkv h ALA 81 Cb -0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 2kkv h ALA 81 CO -0.08 0.43 0.60 0.82 0.00 0.00 0.00 179.25 181.03 2kkv h ILE 82 N 0.74 1.22 -0.28 0.00 2.04 -0.40 -1.77 117.51 119.05 2kkv h ILE 82 Ca 0.15 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 2kkv h ILE 82 Cb 0.43 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2kkv h ILE 82 CO 0.01 0.22 -0.17 0.24 0.00 0.00 0.00 178.15 178.45 2kkv h MET 83 N 1.22 0.51 -0.27 2.37 2.86 -0.51 -0.65 114.93 120.46 2kkv h MET 83 Ca 0.34 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2kkv h MET 83 Cb -0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2kkv h MET 83 CO -0.08 0.66 -0.14 0.00 1.06 0.00 0.00 176.91 178.41 2kkv h ARG 84 N 0.46 0.46 -0.01 1.72 2.47 -0.47 0.63 114.38 119.65 2kkv h ARG 84 Ca 0.08 -0.14 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 2kkv h ARG 84 Cb 0.56 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2kkv h ARG 84 CO 0.04 0.60 -0.69 -0.92 0.56 0.00 0.00 179.97 179.56 2kkv h TYR 85 N 0.43 0.06 -0.53 3.04 3.20 -0.74 -0.72 116.97 121.71 2kkv h TYR 85 Ca 0.08 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 2kkv h TYR 85 Cb 0.50 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2kkv h TYR 85 CO 0.02 0.71 -0.13 0.00 -1.64 0.00 0.00 178.16 177.12 2kkv h ALA 86 N 1.28 0.77 0.00 1.82 0.00 -0.38 -2.67 119.26 120.07 2kkv h ALA 86 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2kkv h ALA 86 Cb 1.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kkv h ALA 86 CO 0.09 0.67 -0.32 0.28 0.00 0.00 0.00 179.25 179.98 2kkv h VAL 87 N 0.89 0.93 -0.81 0.00 2.07 -0.64 0.10 116.25 118.79 2kkv h VAL 87 Ca 0.13 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.49 2kkv h VAL 87 Cb 0.70 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 2kkv h VAL 87 CO 0.05 0.31 0.50 -0.61 0.02 0.00 0.00 177.57 177.84 2kkv h GLN 88 N 0.00 0.90 0.00 1.57 4.15 -0.78 -1.32 115.11 119.62 2kkv h GLN 88 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2kkv h GLN 88 Cb 0.69 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2kkv h GLN 88 CO 0.04 0.59 -0.69 -0.91 -1.93 0.00 0.00 178.83 175.94 2kkv h ASN 89 N 0.92 0.00 -6.38 -0.69 2.35 -1.38 -3.49 115.58 106.91 2kkv h ASN 89 Ca 0.35 -0.18 -0.35 0.00 -0.55 0.00 0.00 56.30 55.57 2kkv h ASN 89 Cb 0.14 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2kkv h ASN 89 CO -0.16 0.09 -1.02 -0.67 -1.65 0.00 0.00 177.43 174.02 2kkv n ASP 90 N -2.22 -5.76 -0.57 5.81 2.03 0.33 -4.92 116.55 111.25 2kkv n ASP 90 Ca 0.03 -0.30 0.05 0.00 0.52 0.00 0.00 54.79 55.09 2kkv n ASP 90 Cb 0.46 -2.35 0.12 0.00 -0.72 0.00 0.00 41.12 38.63 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 -1.00 0.34 0.00 -0.67 4.11 -1.25 -4.69 117.16 114.00 2kkv n TYR 91 Ca -0.12 -0.39 0.00 0.00 -0.00 0.00 0.00 57.90 57.38 2kkv n TYR 91 Cb 0.65 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.97 2kkv n TYR 91 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30 2kkv n ILE 92 N 0.49 0.00 -1.90 -3.48 -5.35 -1.26 -5.02 119.36 102.84 2kkv n ILE 92 Ca 0.10 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.38 2kkv n ILE 92 Cb 0.38 -0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 37.72 2kkv n ILE 92 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kkv n ASP 93 N -2.49 -5.49 -3.77 7.28 2.03 -1.26 -4.96 116.55 107.89 2kkv n ASP 93 Ca 0.00 0.28 -0.13 0.00 0.52 0.00 0.00 54.79 55.46 2kkv n ASP 93 Cb 0.50 -4.64 -0.12 0.00 -0.72 0.00 0.00 41.12 36.14 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 -2.51 -0.29 -0.71 1.67 0.01 -1.26 -5.11 113.70 105.50 2kkv s SER 94 Ca 0.00 0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 2kkv s SER 94 Cb 0.00 0.54 0.18 0.00 0.21 0.00 0.00 66.02 66.95 2kkv s SER 94 CO 0.00 -0.11 0.55 0.21 0.41 0.00 0.00 173.24 174.30 2kkv s ASN 95 N 0.37 5.40 0.00 2.44 3.84 -1.26 -4.88 114.94 120.85 2kkv s ASN 95 Ca -0.02 -3.22 0.29 0.00 0.21 0.00 0.00 52.86 50.11 2kkv s ASN 95 Cb -0.04 -1.85 1.62 0.00 -0.55 0.00 0.00 41.25 40.44 2kkv s ASN 95 CO -0.02 -0.28 2.05 -0.81 -2.79 0.00 0.00 177.10 175.26 2kkv n PRO 96 N 2.97 1.10 -0.19 0.43 -0.04 -1.26 -3.31 135.00 134.70 2kkv n PRO 96 Ca 0.13 -0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2kkv n PRO 96 Cb 0.37 -1.45 0.20 0.00 -0.04 0.00 0.00 33.50 32.57 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kkv n ALA 97 N -0.78 2.36 -0.04 0.55 0.00 -1.26 -3.78 120.51 117.56 2kkv n ALA 97 Ca 0.21 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 2kkv n ALA 97 Cb 0.14 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 2kkv n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kkv h SER 98 N 3.60 0.25 -0.02 0.00 0.87 -1.95 -3.29 113.55 113.00 2kkv h SER 98 Ca 0.00 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 2kkv h SER 98 Cb 0.86 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.66 2kkv h SER 98 CO 0.00 0.61 -0.63 -0.67 -0.53 0.00 0.00 176.83 175.62 2kkv n ASP 99 N -4.70 1.65 0.18 6.23 2.03 -1.26 -4.82 116.55 115.86 2kkv n ASP 99 Ca -0.06 -3.49 -0.14 0.00 0.52 0.00 0.00 54.79 51.61 2kkv n ASP 99 Cb 0.28 -0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 40.13 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 1.04 -0.46 -3.59 -0.67 1.85 -1.65 -3.31 114.93 108.14 2kkv h MET 100 Ca -0.04 0.03 -0.70 0.00 -0.61 0.00 0.00 59.70 58.39 2kkv h MET 100 Cb 1.20 0.11 -0.35 0.00 0.43 0.00 0.00 31.60 32.99 2kkv h MET 100 CO 0.04 -0.31 -0.36 0.00 -0.40 0.00 0.00 176.91 175.89 2kkv s ALA 101 N -6.10 3.59 1.00 0.39 0.00 -1.26 -4.69 121.76 114.69 2kkv s ALA 101 Ca -0.16 -3.27 -0.12 0.00 0.00 0.00 0.00 51.96 48.42 2kkv s ALA 101 Cb 0.06 -2.67 0.16 0.00 0.00 0.00 0.00 23.12 20.67 2kkv s ALA 101 CO 0.64 -2.11 0.94 0.41 0.00 0.00 0.00 175.76 175.65 2kkv n GLY 102 N 3.48 -1.41 3.56 0.00 0.00 -1.25 -4.93 105.19 104.64 2kkv n GLY 102 Ca 0.08 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.97 2.70 -1.66 4.61 0.00 -1.26 -4.66 121.76 117.52 2kkv s ALA 103 Ca 0.53 -2.27 0.18 0.00 0.00 0.00 0.00 51.96 50.40 2kkv s ALA 103 Cb -0.01 -4.54 -0.01 0.00 0.00 0.00 0.00 23.12 18.55 2kkv s ALA 103 CO 0.37 -3.66 0.94 1.47 0.00 0.00 0.00 175.76 174.87 2kkv n LEU 104 N 9.14 1.76 0.04 0.00 -0.00 -1.26 -4.34 117.00 122.34 2kkv n LEU 104 Ca 0.35 -0.76 0.12 0.00 -0.00 0.00 0.00 56.01 55.72 2kkv n LEU 104 Cb 0.50 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.07 2kkv n LEU 104 CO 0.67 0.33 0.28 -0.24 -0.00 0.00 0.00 177.39 178.43 2kkv n SER 105 N -0.11 0.64 -1.95 1.45 2.88 -1.26 -4.91 113.62 110.35 2kkv n SER 105 Ca 0.08 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2kkv n SER 105 Cb 0.38 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2kkv n SER 105 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kkv n THR 106 N -1.96 0.00 0.01 2.46 -2.24 -1.26 -5.09 114.28 106.20 2kkv n THR 106 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2kkv n THR 106 Cb 0.42 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 2kkv n THR 106 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2kkv n THR 107 N -1.36 0.03 -3.41 4.28 -1.04 -1.26 -5.01 114.28 106.50 2kkv n THR 107 Ca 0.00 0.01 -0.44 0.00 -2.04 0.00 0.00 64.05 61.58 2kkv n THR 107 Cb 0.00 -0.43 -0.07 0.00 -1.82 0.00 0.00 70.33 68.01 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 -1.05 2.83 -0.03 -2.82 -0.14 -1.26 -4.84 119.74 112.44 2kkv s LYS 108 Ca 0.00 -1.63 0.20 0.00 -1.36 0.00 0.00 55.97 53.18 2kkv s LYS 108 Cb 0.00 -4.13 -0.30 0.00 -1.68 0.00 0.00 37.83 31.72 2kkv s LYS 108 CO 0.00 -1.20 0.47 0.00 -0.76 0.00 0.00 175.35 173.86 2kkv n ALA 109 N 5.13 2.89 -2.59 5.17 0.00 -1.26 -4.92 120.51 124.94 2kkv n ALA 109 Ca -0.12 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 2kkv n ALA 109 Cb 0.41 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 2kkv n ALA 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kkv s ARG 110 N -3.35 4.46 0.38 0.00 3.52 -1.26 -5.06 118.95 117.64 2kkv s ARG 110 Ca -0.06 0.98 0.08 0.00 -0.13 0.00 0.00 55.73 56.60 2kkv s ARG 110 Cb 0.13 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 2kkv s ARG 110 CO 0.83 0.15 0.08 -3.38 -0.81 0.00 0.00 175.30 172.18 2kkv s HIS 111 N 0.45 2.57 -0.16 5.12 -3.43 -1.26 -5.13 115.29 113.44 2kkv s HIS 111 Ca 0.39 -0.55 -0.01 0.00 -0.80 0.00 0.00 55.06 54.09 2kkv s HIS 111 Cb -0.19 -1.75 0.04 0.00 -1.43 0.00 0.00 32.58 29.25 2kkv s HIS 111 CO 0.21 0.35 -0.04 0.71 -2.00 0.00 0.00 174.74 173.96 2kkv s TYR 112 N -2.59 1.61 1.01 0.38 2.02 -1.26 -5.14 117.35 113.38 2kkv s TYR 112 Ca 0.37 -1.02 -0.17 0.00 -0.37 0.00 0.00 57.07 55.88 2kkv s TYR 112 Cb 0.04 -1.27 0.24 0.00 -0.40 0.00 0.00 41.96 40.57 2kkv s TYR 112 CO 0.20 -0.60 1.08 -0.35 -1.57 0.00 0.00 175.55 174.31 2kkv n PRO 113 N 4.90 -2.17 -0.05 -1.71 -0.04 -1.26 -5.02 135.00 129.65 2kkv n PRO 113 Ca -0.11 -1.69 -0.12 0.00 -0.04 0.00 0.00 63.50 61.53 2kkv n PRO 113 Cb 0.48 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 2kkv n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkv h LEU 114 N 0.00 -0.01 0.89 1.53 4.07 -2.02 -3.47 115.31 116.29 2kkv h LEU 114 Ca -0.38 -0.78 -0.38 0.00 0.08 0.00 0.00 57.88 56.42 2kkv h LEU 114 Cb 1.10 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.69 2kkv h LEU 114 CO 0.26 0.84 -0.35 -0.62 -1.08 0.00 0.00 178.44 177.49 2kkv n GLU 115 N -4.68 -1.37 -0.43 1.13 1.02 -1.26 -4.82 120.64 110.24 2kkv n GLU 115 Ca -0.08 1.16 0.11 0.00 -0.02 0.00 0.00 57.16 58.32 2kkv n GLU 115 Cb 0.38 -5.48 0.32 0.00 -0.02 0.00 0.00 31.44 26.64 2kkv n GLU 115 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kkv n HIS 116 N -2.42 1.10 -3.71 -0.32 -0.00 -1.26 -4.79 115.22 103.81 2kkv n HIS 116 Ca -0.19 -0.51 -0.39 0.00 0.46 0.00 0.00 57.72 57.10 2kkv n HIS 116 Cb 0.63 -0.07 -0.12 0.00 -0.12 0.00 0.00 29.99 30.31 2kkv n HIS 116 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kkv s HIS 117 N -1.27 3.25 -0.74 1.57 3.76 -1.26 -5.05 115.29 115.55 2kkv s HIS 117 Ca 0.48 -1.28 -0.24 0.00 -0.15 0.00 0.00 55.06 53.87 2kkv s HIS 117 Cb 0.27 -2.32 0.06 0.00 1.11 0.00 0.00 32.58 31.69 2kkv s HIS 117 CO 0.30 -0.70 1.14 -1.01 -0.85 0.00 0.00 174.74 173.61 2kkv s HIS 118 N 1.45 2.55 -0.24 1.40 0.09 -1.26 -4.99 115.29 114.29 2kkv s HIS 118 Ca -0.01 -0.46 -0.04 0.00 -0.00 0.00 0.00 55.06 54.55 2kkv s HIS 118 Cb -0.19 -4.45 0.00 0.00 -0.00 0.00 0.00 32.58 27.94 2kkv s HIS 118 CO 0.04 -1.82 -0.02 -1.58 -0.00 0.00 0.00 174.74 171.36 2kkv s HIS 119 N 4.65 3.02 -0.39 1.40 5.04 -1.26 -5.07 115.29 122.68 2kkv s HIS 119 Ca 0.30 -1.07 -0.19 0.00 -1.54 0.00 0.00 55.06 52.55 2kkv s HIS 119 Cb -0.11 -2.13 0.01 0.00 0.04 0.00 0.00 32.58 30.39 2kkv s HIS 119 CO 0.09 -0.59 0.56 -1.58 -2.34 0.00 0.00 174.74 170.88 2kkv s HIS 120 N 1.45 3.14 -2.00 3.88 2.46 -1.26 -5.28 115.29 117.68 2kkv s HIS 120 Ca 0.04 0.06 0.24 0.00 0.47 0.00 0.00 55.06 55.88 2kkv s HIS 120 Cb -0.15 -3.08 1.44 0.00 -0.13 0.00 0.00 32.58 30.65 2kkv s HIS 120 CO -0.02 -0.67 1.81 1.58 -2.47 0.00 0.00 174.74 174.96