#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 4.32 -0.48 2.12 1.03 -1.26 -4.67 118.70 119.75 2kkv s GLU 2 Ca 0.00 2.22 -0.27 0.00 0.03 0.00 0.00 54.97 56.94 2kkv s GLU 2 Cb 0.00 -3.12 -0.02 0.00 -0.80 0.00 0.00 34.13 30.19 2kkv s GLU 2 CO 0.00 -0.32 1.78 1.21 -1.33 0.00 0.00 175.26 176.60 2kkv s ASN 3 N 0.13 5.63 0.21 0.83 3.84 -1.26 -4.17 114.94 120.15 2kkv s ASN 3 Ca 0.56 0.75 0.00 0.00 0.21 0.00 0.00 52.86 54.38 2kkv s ASN 3 Cb -0.40 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.77 2kkv s ASN 3 CO 0.45 -2.01 0.00 -0.24 -2.79 0.00 0.00 177.10 172.50 2kkv n SER 4 N 11.34 -1.84 0.00 -4.21 2.88 -1.26 -5.14 113.62 115.39 2kkv n SER 4 Ca 0.21 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 2kkv n SER 4 Cb 0.50 1.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.89 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 -1.31 0.83 2.06 0.46 0.00 -1.26 -5.07 105.19 100.89 2kkv n GLY 5 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv n ALA 6 N -1.00 -3.34 -2.40 4.61 0.00 -1.26 -4.83 120.51 112.29 2kkv n ALA 6 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 53.44 54.43 2kkv n ALA 6 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2kkv n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2kkv n TYR 7 N 0.74 -1.92 -1.85 0.00 9.36 -1.26 -4.92 117.16 117.31 2kkv n TYR 7 Ca -0.17 0.75 -0.40 0.00 3.32 0.00 0.00 57.90 61.40 2kkv n TYR 7 Cb 0.26 -3.08 0.01 0.00 -0.63 0.00 0.00 39.34 35.90 2kkv n TYR 7 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2kkv s THR 8 N -2.65 2.17 0.24 2.97 2.01 -1.26 -4.82 115.64 114.30 2kkv s THR 8 Ca 0.05 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 2kkv s THR 8 Cb -0.01 -3.09 0.23 0.00 0.01 0.00 0.00 72.50 69.63 2kkv s THR 8 CO 0.46 0.02 1.68 0.15 -0.69 0.00 0.00 174.62 176.24 2kkv h PHE 9 N 2.40 0.20 -0.26 4.92 3.57 -1.94 0.50 116.94 126.34 2kkv h PHE 9 Ca -0.51 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 2kkv h PHE 9 Cb 1.26 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2kkv h PHE 9 CO 0.51 -0.11 -0.02 0.93 -2.23 0.00 0.00 178.31 177.39 2kkv h GLU 10 N 0.23 0.39 -0.47 1.11 5.08 -1.99 -1.18 114.58 117.75 2kkv h GLU 10 Ca 0.40 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.55 2kkv h GLU 10 Cb 0.67 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2kkv h GLU 10 CO -0.52 0.43 -0.23 1.15 -1.00 0.00 0.00 179.01 178.85 2kkv h THR 11 N 0.37 1.27 -0.68 1.13 2.02 -1.30 0.76 112.91 116.48 2kkv h THR 11 Ca 0.08 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 2kkv h THR 11 Cb 0.28 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2kkv h THR 11 CO 0.01 0.48 0.24 0.40 0.37 0.00 0.00 175.52 177.02 2kkv h ILE 12 N 0.84 1.25 -0.54 3.11 2.04 -0.65 -0.96 117.51 122.60 2kkv h ILE 12 Ca 0.11 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 2kkv h ILE 12 Cb 0.81 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2kkv h ILE 12 CO 0.07 0.33 0.04 0.00 0.00 0.00 0.00 178.15 178.59 2kkv h ALA 13 N 1.10 1.06 -0.56 1.87 0.00 -1.06 -2.87 119.26 118.81 2kkv h ALA 13 Ca 0.22 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kkv h ALA 13 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2kkv h ALA 13 CO -0.01 0.59 0.14 -0.09 0.00 0.00 0.00 179.25 179.89 2kkv h ARG 14 N 0.83 0.86 0.06 0.00 2.43 -0.20 -0.97 114.38 117.40 2kkv h ARG 14 Ca 0.16 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2kkv h ARG 14 Cb 0.43 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2kkv h ARG 14 CO 0.02 0.77 -0.31 1.49 -1.51 0.00 0.00 179.97 180.43 2kkv h GLU 15 N 0.83 -0.48 0.00 0.20 4.57 -0.96 0.31 114.58 119.06 2kkv h GLU 15 Ca 0.18 0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 2kkv h GLU 15 Cb 0.29 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2kkv h GLU 15 CO -0.00 -0.32 -0.49 0.11 -1.18 0.00 0.00 179.01 177.12 2kkv h TRP 16 N -0.50 0.00 -0.12 0.92 5.08 -1.63 -3.09 115.95 116.62 2kkv h TRP 16 Ca 0.05 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.01 2kkv h TRP 16 Cb 0.55 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 2kkv h TRP 16 CO -0.30 0.49 0.02 1.25 -1.28 0.00 0.00 178.44 178.62 2kkv h HIS 17 N 0.00 0.16 0.00 0.12 2.76 -0.31 -1.26 115.15 116.62 2kkv h HIS 17 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kkv h HIS 17 Cb 1.34 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2kkv h HIS 17 CO 0.00 0.15 0.00 0.39 -1.30 0.00 0.00 177.93 177.17 2kkv n GLU 18 N -4.46 0.43 -0.01 5.26 1.02 0.10 -0.66 120.64 122.32 2kkv n GLU 18 Ca -0.01 0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.33 2kkv n GLU 18 Cb 0.13 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 30.61 2kkv n GLU 18 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kkv n SER 19 N -1.16 1.30 -3.45 1.62 7.64 -0.48 -4.88 113.62 114.21 2kkv n SER 19 Ca 0.12 -1.45 -0.12 0.00 1.01 0.00 0.00 58.87 58.43 2kkv n SER 19 Cb 0.12 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2kkv n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kkv n ASN 20 N 0.03 1.59 -0.02 6.43 2.85 0.16 -5.08 115.26 121.22 2kkv n ASN 20 Ca 0.19 -1.89 -0.01 0.00 -0.11 0.00 0.00 54.58 52.76 2kkv n ASN 20 Cb 0.32 -0.09 -0.05 0.00 1.24 0.00 0.00 39.78 41.20 2kkv n ASN 20 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2kkv n LYS 21 N -1.33 1.96 -2.62 1.20 0.00 -1.26 -5.06 118.16 111.05 2kkv n LYS 21 Ca 0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 58.31 58.08 2kkv n LYS 21 Cb 0.31 -1.16 0.08 0.00 0.00 0.00 0.00 35.03 34.26 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 -2.26 2.04 -0.41 1.64 6.06 -1.26 -4.73 118.95 120.03 2kkv s ARG 22 Ca -0.03 -1.00 -0.26 0.00 -2.50 0.00 0.00 55.73 51.94 2kkv s ARG 22 Cb 0.03 -2.40 0.04 0.00 0.06 0.00 0.00 34.95 32.67 2kkv s ARG 22 CO 0.26 -1.14 0.57 0.91 -2.50 0.00 0.00 175.30 173.40 2kkv n TRP 23 N -2.62 -2.97 -1.44 5.12 5.03 -1.26 -5.01 117.44 114.29 2kkv n TRP 23 Ca 0.12 1.23 -0.29 0.00 3.03 0.00 0.00 57.50 61.58 2kkv n TRP 23 Cb 0.60 -2.84 0.19 0.00 -1.03 0.00 0.00 31.31 28.23 2kkv n TRP 23 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2kkv s SER 24 N -1.94 2.40 0.22 -0.99 0.01 -1.26 -4.72 113.70 107.41 2kkv s SER 24 Ca 0.29 0.69 -0.09 0.00 1.31 0.00 0.00 55.95 58.15 2kkv s SER 24 Cb -0.05 -1.03 0.19 0.00 0.21 0.00 0.00 66.02 65.34 2kkv s SER 24 CO 0.78 -3.22 1.90 -0.33 0.41 0.00 0.00 173.24 172.78 2kkv h GLU 25 N -1.96 1.09 -0.60 12.44 5.08 -1.98 0.21 114.58 128.86 2kkv h GLU 25 Ca -0.47 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 57.92 2kkv h GLU 25 Cb 1.30 -0.25 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 2kkv h GLU 25 CO 0.46 0.72 0.20 -0.44 -1.00 0.00 0.00 179.01 178.95 2kkv h ASP 26 N 1.13 0.16 0.67 1.42 5.19 -2.00 -0.95 116.42 122.04 2kkv h ASP 26 Ca 0.31 0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.66 2kkv h ASP 26 Cb -0.13 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 2kkv h ASP 26 CO -0.07 0.10 -0.69 0.45 -3.12 0.00 0.00 179.24 175.91 2kkv h HIS 27 N 0.36 0.03 -0.67 4.55 3.86 -1.65 -3.01 115.15 118.63 2kkv h HIS 27 Ca 0.31 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.45 2kkv h HIS 27 Cb 0.40 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2kkv h HIS 27 CO -0.19 0.70 0.19 -0.09 0.86 0.00 0.00 177.93 179.40 2kkv h ARG 28 N 0.01 1.06 -0.26 2.45 1.12 0.49 0.25 114.38 119.49 2kkv h ARG 28 Ca -0.01 -0.24 -0.10 0.00 -1.11 0.00 0.00 59.98 58.52 2kkv h ARG 28 Cb 1.22 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 2kkv h ARG 28 CO 0.09 0.93 -0.28 0.77 -3.11 0.00 0.00 179.97 178.37 2kkv h SER 29 N 0.99 0.53 0.15 -3.80 0.02 -1.14 -3.01 113.55 107.28 2kkv h SER 29 Ca 0.21 -0.19 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 2kkv h SER 29 Cb 0.33 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 62.76 2kkv h SER 29 CO -0.00 0.79 -1.06 -0.09 -1.14 0.00 0.00 176.83 175.33 2kkv h ARG 30 N 0.45 0.45 0.00 3.45 2.43 -1.34 -3.24 114.38 116.58 2kkv h ARG 30 Ca 0.06 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2kkv h ARG 30 Cb 0.72 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2kkv h ARG 30 CO 0.06 1.31 0.00 1.55 -1.51 0.00 0.00 179.97 181.38 2kkv n VAL 31 N -3.96 1.12 -0.19 0.20 3.14 0.83 -2.28 118.33 117.19 2kkv n VAL 31 Ca -0.14 0.56 0.24 0.00 -2.96 0.00 0.00 64.34 62.04 2kkv n VAL 31 Cb 0.92 -1.53 0.63 0.00 -1.06 0.00 0.00 33.84 32.79 2kkv n VAL 31 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2kkv h LEU 32 N 0.00 0.18 0.12 6.55 7.12 -1.56 0.52 115.31 128.24 2kkv h LEU 32 Ca 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 2kkv h LEU 32 Cb 0.10 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2kkv h LEU 32 CO 0.00 0.07 -0.06 0.03 -0.13 0.00 0.00 178.44 178.35 2kkv h ARG 33 N 0.17 -0.15 -0.49 1.25 -0.00 -1.71 -1.75 114.38 111.69 2kkv h ARG 33 Ca 0.43 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.93 2kkv h ARG 33 Cb 1.43 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.42 2kkv h ARG 33 CO -0.08 0.18 0.31 -0.92 0.00 0.00 0.00 179.97 179.45 2kkv h TYR 34 N -0.50 0.63 0.26 3.04 3.20 -1.34 -2.64 116.97 119.61 2kkv h TYR 34 Ca -0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kkv h TYR 34 Cb 0.40 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2kkv h TYR 34 CO 0.04 0.41 -0.53 1.25 -1.64 0.00 0.00 178.16 177.69 2kkv h LEU 35 N 0.67 -1.53 -1.97 2.82 7.12 0.20 -0.25 115.31 122.36 2kkv h LEU 35 Ca 0.18 0.15 0.13 0.00 0.13 0.00 0.00 57.88 58.47 2kkv h LEU 35 Cb -0.05 0.55 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 2kkv h LEU 35 CO -0.04 -0.60 0.33 -0.33 -0.13 0.00 0.00 178.44 177.68 2kkv h GLU 36 N -0.85 0.03 0.09 1.25 5.08 -0.95 0.89 114.58 120.12 2kkv h GLU 36 Ca -0.03 -0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 2kkv h GLU 36 Cb 0.81 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2kkv h GLU 36 CO -0.21 0.02 -2.10 1.28 -1.00 0.00 0.00 179.01 177.00 2kkv n LEU 37 N -4.41 2.62 -0.04 1.33 7.99 -1.06 -4.24 117.00 119.19 2kkv n LEU 37 Ca 0.08 0.13 -0.07 0.00 -0.01 0.00 0.00 56.01 56.15 2kkv n LEU 37 Cb 0.52 -1.00 -0.04 0.00 -0.11 0.00 0.00 43.42 42.79 2kkv n LEU 37 CO 0.36 0.85 -0.79 -1.22 -1.51 0.00 0.00 177.39 175.08 2kkv n TYR 38 N -3.40 0.00 -3.37 -1.77 4.02 -0.13 -4.52 117.16 107.99 2kkv n TYR 38 Ca -0.35 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.10 2kkv n TYR 38 Cb 1.04 -0.34 -0.06 0.00 -0.02 0.00 0.00 39.34 39.95 2kkv n TYR 38 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2kkv s ILE 39 N -2.18 5.10 -0.69 -0.72 -1.09 0.28 -4.14 121.20 117.77 2kkv s ILE 39 Ca -0.12 -1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 56.91 2kkv s ILE 39 Cb 0.03 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2kkv s ILE 39 CO 0.20 -0.74 0.59 0.49 -1.23 0.00 0.00 174.94 174.25 2kkv n PHE 40 N 5.19 -1.55 0.30 3.97 3.72 -1.26 -4.31 117.46 123.52 2kkv n PHE 40 Ca -0.13 0.56 -0.16 0.00 -0.05 0.00 0.00 57.45 57.67 2kkv n PHE 40 Cb 0.42 -3.61 -0.08 0.00 -0.94 0.00 0.00 39.48 35.26 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 -0.77 -0.72 -0.01 -1.08 0.13 -1.74 -0.32 132.00 127.49 2kkv h PRO 41 Ca -0.39 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kkv h PRO 41 Cb 1.20 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2kkv h PRO 41 CO 0.29 -0.42 -0.46 1.58 -0.23 0.00 0.00 178.00 178.76 2kkv n HIS 42 N -5.35 0.00 0.72 1.56 -0.00 -1.26 -4.25 115.22 106.65 2kkv n HIS 42 Ca -0.12 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.13 2kkv n HIS 42 Cb 0.33 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.11 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 -0.33 0.00 0.41 3.57 -5.35 -1.24 -4.50 119.36 111.92 2kkv n ILE 43 Ca 0.07 -0.14 -0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2kkv n ILE 43 Cb 0.36 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 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 1.36 2.22 0.00 3.28 0.00 -0.13 -2.93 105.19 108.99 2kkv n GLY 44 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkv n SER 45 N 0.86 0.65 -4.07 1.61 2.88 -1.26 -4.98 113.62 109.31 2kkv n SER 45 Ca 0.01 -0.77 -0.20 0.00 -1.33 0.00 0.00 58.87 56.57 2kkv n SER 45 Cb 0.51 1.02 -0.15 0.00 -0.75 0.00 0.00 64.21 64.84 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kkv s SER 46 N -2.26 1.37 0.71 -3.46 0.01 -1.15 -5.15 113.70 103.78 2kkv s SER 46 Ca 0.04 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 2kkv s SER 46 Cb 0.10 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.19 2kkv s SER 46 CO 0.53 0.13 1.09 -0.62 0.41 0.00 0.00 173.24 174.78 2kkv s ASP 47 N -0.34 5.42 0.40 2.44 2.15 -1.26 -4.83 116.67 120.65 2kkv s ASP 47 Ca 0.04 1.18 0.09 0.00 0.43 0.00 0.00 52.55 54.29 2kkv s ASP 47 Cb -0.05 -1.99 0.88 0.00 -0.30 0.00 0.00 42.92 41.46 2kkv s ASP 47 CO -0.00 -1.36 1.98 -0.29 -0.17 0.00 0.00 175.17 175.32 2kkv h ILE 48 N -0.67 0.98 0.00 4.11 2.10 -1.94 -1.89 117.51 120.20 2kkv h ILE 48 Ca -0.45 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.29 2kkv h ILE 48 Cb 1.25 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2kkv h ILE 48 CO 0.63 0.11 0.00 -1.14 -1.08 0.00 0.00 178.15 176.67 2kkv n ARG 49 N -4.48 0.01 -0.37 2.19 0.63 -1.26 -1.55 116.66 111.83 2kkv n ARG 49 Ca 0.09 0.33 0.01 0.00 -0.92 0.00 0.00 57.85 57.36 2kkv n ARG 49 Cb 0.27 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.69 2kkv n ARG 49 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kkv n GLN 50 N -1.48 0.14 -0.64 -0.14 0.00 -0.76 -1.22 117.38 113.28 2kkv n GLN 50 Ca 0.02 -1.03 -0.31 0.00 0.00 0.00 0.00 57.00 55.68 2kkv n GLN 50 Cb 0.10 -0.58 0.19 0.00 0.00 0.00 0.00 30.24 29.95 2kkv n GLN 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2kkv n LEU 51 N -0.11 1.91 -4.89 2.61 4.77 -0.60 -4.90 117.00 115.80 2kkv n LEU 51 Ca 0.01 0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 56.02 2kkv n LEU 51 Cb 0.65 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2kkv n LEU 51 CO 0.00 -2.54 0.03 -0.54 -1.33 0.00 0.00 177.39 173.01 2kkv s LYS 52 N -4.49 2.31 0.00 3.23 1.02 -1.26 -4.90 119.74 115.64 2kkv s LYS 52 Ca 0.66 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.76 2kkv s LYS 52 Cb -0.23 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 2kkv s LYS 52 CO 0.60 -0.50 0.00 0.25 -0.92 0.00 0.00 175.35 174.79 2kkv n THR 53 N -1.69 0.00 0.06 2.17 -2.24 -1.26 -4.13 114.28 107.19 2kkv n THR 53 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kkv n THR 53 Cb 0.64 -1.31 0.01 0.00 -2.10 0.00 0.00 70.33 67.57 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kkv n SER 54 N -0.65 0.00 0.23 3.42 7.64 -1.26 -1.83 113.62 121.16 2kkv n SER 54 Ca 0.00 -0.05 0.07 0.00 1.01 0.00 0.00 58.87 59.91 2kkv n SER 54 Cb 0.00 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.97 -2.21 115.15 112.40 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kkv h HIS 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2kkv h HIS 55 CO 0.00 0.20 0.00 1.47 -0.00 0.00 0.00 177.93 179.60 2kkv n LEU 56 N -4.04 0.56 0.25 2.43 -0.00 -0.76 -2.06 117.00 113.38 2kkv n LEU 56 Ca -0.02 0.69 0.17 0.00 -0.00 0.00 0.00 56.01 56.84 2kkv n LEU 56 Cb 0.28 -0.67 0.68 0.00 -0.00 0.00 0.00 43.42 43.71 2kkv n LEU 56 CO 0.35 -0.69 0.98 0.25 -0.00 0.00 0.00 177.39 178.27 2kkv h LEU 57 N 0.00 0.00 0.37 1.47 5.85 -1.65 -3.31 115.31 118.05 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 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2kkv h LEU 57 CO 0.00 0.00 -0.29 0.00 -0.34 0.00 0.00 178.44 177.81 2kkv h ALA 58 N 2.05 -0.66 0.00 1.25 0.00 -1.62 0.23 119.26 120.51 2kkv h ALA 58 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kkv h ALA 58 Cb 0.45 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kkv h ALA 58 CO 0.00 -0.90 0.00 -1.00 0.00 0.00 0.00 179.25 177.35 2kkv h PRO 59 N -0.66 0.00 0.00 0.00 0.13 -1.82 0.09 132.00 129.74 2kkv h PRO 59 Ca -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 2kkv h PRO 59 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 2kkv h PRO 59 CO -0.01 0.00 -0.64 0.82 -0.23 0.00 0.00 178.00 177.94 2kkv h ILE 60 N 0.00 1.13 -0.26 -3.56 5.03 -1.52 -3.10 117.51 115.23 2kkv h ILE 60 Ca 0.00 -2.51 -0.19 0.00 -0.12 0.00 0.00 64.86 62.04 2kkv h ILE 60 Cb 0.35 2.50 0.00 0.00 -3.03 0.00 0.00 36.82 36.64 2kkv h ILE 60 CO 0.00 0.63 -0.56 0.50 -0.68 0.00 0.00 178.15 178.03 2kkv h LYS 61 N 0.00 0.84 -0.31 2.37 3.11 0.14 0.18 116.57 122.91 2kkv h LYS 61 Ca -0.01 -0.56 -0.10 0.00 -2.81 0.00 0.00 60.65 57.18 2kkv h LYS 61 Cb 1.45 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.74 2kkv h LYS 61 CO 0.08 1.18 -0.21 1.05 -2.81 0.00 0.00 179.45 178.74 2kkv h GLU 62 N 0.61 0.58 0.00 1.90 4.11 -1.48 0.12 114.58 120.41 2kkv h GLU 62 Ca 0.00 -0.21 -0.17 0.00 0.07 0.00 0.00 59.36 59.05 2kkv h GLU 62 Cb 1.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2kkv h GLU 62 CO 0.12 0.76 -0.83 -0.39 0.07 0.00 0.00 179.01 178.74 2kkv h VAL 63 N 0.51 1.59 -0.38 -1.06 -1.51 -1.48 0.69 116.25 114.62 2kkv h VAL 63 Ca 0.08 -2.81 -0.00 0.00 -1.23 0.00 0.00 66.70 62.73 2kkv h VAL 63 Cb 0.65 2.52 -0.02 0.00 -2.13 0.00 0.00 31.29 32.31 2kkv h VAL 63 CO 0.05 0.80 0.22 -0.78 -1.23 0.00 0.00 177.57 176.63 2kkv h ASP 64 N 0.00 0.46 1.28 4.19 1.82 -0.48 -2.53 116.42 121.16 2kkv h ASP 64 Ca -0.01 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2kkv h ASP 64 Cb 1.46 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2kkv h ASP 64 CO 0.11 0.38 0.00 0.41 -1.61 0.00 0.00 179.24 178.53 2kkv n THR 65 N -4.78 0.35 0.24 2.25 -1.04 0.37 -2.96 114.28 108.70 2kkv n THR 65 Ca -0.00 -0.17 0.12 0.00 -2.04 0.00 0.00 64.05 61.97 2kkv n THR 65 Cb 0.06 -0.55 0.47 0.00 -1.82 0.00 0.00 70.33 68.49 2kkv n THR 65 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2kkv h SER 66 N 0.00 0.00 0.00 8.00 0.87 -0.42 -3.47 113.55 118.53 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 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2kkv h SER 66 CO 0.00 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.04 2kkv n GLY 67 N 0.30 1.27 2.54 5.77 0.00 -1.16 -4.99 105.19 108.93 2kkv n GLY 67 Ca 0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2kkv n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kkv n LYS 68 N 0.00 2.91 0.28 1.61 2.85 -1.12 -4.59 118.16 120.10 2kkv n LYS 68 Ca 0.00 -2.74 0.18 0.00 -1.05 0.00 0.00 58.31 54.70 2kkv n LYS 68 Cb 0.00 -2.25 0.74 0.00 -0.65 0.00 0.00 35.03 32.88 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2kkv h HIS 69 N 3.30 0.00 -0.32 5.58 2.07 -1.67 -2.26 115.15 121.86 2kkv h HIS 69 Ca 0.47 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.87 2kkv h HIS 69 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 2kkv h HIS 69 CO 1.45 0.00 -0.27 0.38 -3.07 0.00 0.00 177.93 176.42 2kkv h ASP 70 N 0.00 0.80 -0.30 3.10 2.03 -1.91 -0.94 116.42 119.19 2kkv h ASP 70 Ca 0.00 -0.45 -0.04 0.00 -0.73 0.00 0.00 57.03 55.80 2kkv h ASP 70 Cb 0.44 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.71 2kkv h ASP 70 CO 0.00 1.08 0.03 0.58 -1.03 0.00 0.00 179.24 179.90 2kkv h VAL 71 N 0.52 1.24 -0.26 4.15 2.07 -1.81 -1.90 116.25 120.26 2kkv h VAL 71 Ca 0.06 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2kkv h VAL 71 Cb 0.84 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2kkv h VAL 71 CO 0.07 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.93 2kkv h ALA 72 N 0.86 0.23 -0.40 1.67 0.00 -1.38 0.95 119.26 121.20 2kkv h ALA 72 Ca 0.09 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2kkv h ALA 72 Cb 0.38 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2kkv h ALA 72 CO 0.01 -0.42 0.14 0.37 0.00 0.00 0.00 179.25 179.35 2kkv h GLN 73 N 0.07 0.29 -0.93 0.00 5.75 -1.06 -1.28 115.11 117.95 2kkv h GLN 73 Ca 0.13 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 2kkv h GLN 73 Cb 0.17 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 2kkv h GLN 73 CO -0.22 0.19 0.60 0.00 -2.65 0.00 0.00 178.83 176.75 2kkv h ARG 74 N 0.30 1.09 -0.91 1.69 2.47 -0.78 -2.56 114.38 115.67 2kkv h ARG 74 Ca 0.18 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.86 2kkv h ARG 74 Cb 0.17 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.19 2kkv h ARG 74 CO -0.19 0.72 0.60 -0.07 0.56 0.00 0.00 179.97 181.59 2kkv h LEU 75 N 1.12 1.01 -0.30 3.04 -0.00 0.33 0.37 115.31 120.88 2kkv h LEU 75 Ca 0.39 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.24 2kkv h LEU 75 Cb 0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 2kkv h LEU 75 CO -0.15 0.71 0.16 1.56 -0.00 0.00 0.00 178.44 180.73 2kkv h GLN 76 N 1.19 0.41 -0.60 1.13 4.20 -1.03 -0.88 115.11 119.53 2kkv h GLN 76 Ca 0.35 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 2kkv h GLN 76 Cb -0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 2kkv h GLN 76 CO -0.10 0.35 0.19 1.96 -0.67 0.00 0.00 178.83 180.56 2kkv h GLN 77 N 0.36 0.93 0.15 1.46 4.20 -1.04 -1.24 115.11 119.93 2kkv h GLN 77 Ca 0.10 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.62 2kkv h GLN 77 Cb 0.06 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2kkv h GLN 77 CO -0.02 0.83 -0.18 0.00 -0.67 0.00 0.00 178.83 178.79 2kkv h ARG 78 N 0.85 -0.37 -0.14 1.46 3.08 0.03 -2.36 114.38 116.93 2kkv h ARG 78 Ca 0.19 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 2kkv h ARG 78 Cb 0.29 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2kkv h ARG 78 CO -0.01 -0.24 -0.24 -0.39 -1.07 0.00 0.00 179.97 178.02 2kkv h VAL 79 N -0.38 1.24 -0.59 2.04 -1.51 -1.07 -1.90 116.25 114.09 2kkv h VAL 79 Ca 0.01 -1.10 0.02 0.00 -1.23 0.00 0.00 66.70 64.40 2kkv h VAL 79 Cb 0.37 1.40 -0.04 0.00 -2.13 0.00 0.00 31.29 30.90 2kkv h VAL 79 CO -0.07 0.33 0.37 0.74 -1.23 0.00 0.00 177.57 177.72 2kkv h THR 80 N 0.22 1.10 -0.52 7.19 2.02 -0.92 0.14 112.91 122.14 2kkv h THR 80 Ca 0.04 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 2kkv h THR 80 Cb 0.56 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2kkv h THR 80 CO 0.04 0.13 0.02 0.00 0.37 0.00 0.00 175.52 176.08 2kkv h ALA 81 N 1.24 0.69 -0.91 6.16 0.00 -1.02 -2.93 119.26 122.50 2kkv h ALA 81 Ca 0.23 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kkv h ALA 81 Cb -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2kkv h ALA 81 CO -0.08 0.49 0.60 0.82 0.00 0.00 0.00 179.25 181.07 2kkv h ILE 82 N 0.77 1.19 -0.21 0.00 2.04 -0.72 -2.54 117.51 118.04 2kkv h ILE 82 Ca 0.15 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2kkv h ILE 82 Cb 0.50 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 2kkv h ILE 82 CO 0.02 0.22 -0.12 0.24 0.00 0.00 0.00 178.15 178.51 2kkv h MET 83 N 1.19 -0.10 -0.52 2.37 2.86 -0.57 -1.21 114.93 118.94 2kkv h MET 83 Ca 0.35 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2kkv h MET 83 Cb -0.07 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2kkv h MET 83 CO -0.10 -0.07 0.32 -0.09 1.06 0.00 0.00 176.91 178.04 2kkv h ARG 84 N -0.10 0.62 -0.22 1.72 2.43 -1.35 0.85 114.38 118.33 2kkv h ARG 84 Ca 0.12 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2kkv h ARG 84 Cb 0.27 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2kkv h ARG 84 CO -0.27 0.41 -0.31 1.88 -1.51 0.00 0.00 179.97 180.16 2kkv h TYR 85 N 0.63 0.51 -0.29 2.20 0.05 -1.27 -1.75 116.97 117.05 2kkv h TYR 85 Ca 0.21 -0.12 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 2kkv h TYR 85 Cb 0.01 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 2kkv h TYR 85 CO -0.06 0.71 -0.39 0.00 -1.05 0.00 0.00 178.16 177.37 2kkv h ALA 86 N 1.28 0.78 -0.65 3.88 0.00 -0.42 -2.69 119.26 121.44 2kkv h ALA 86 Ca 0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2kkv h ALA 86 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kkv h ALA 86 CO 0.06 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.30 2kkv h VAL 87 N 0.56 1.27 -0.23 0.00 2.07 -0.59 -2.72 116.25 116.61 2kkv h VAL 87 Ca 0.05 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2kkv h VAL 87 Cb 0.92 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2kkv h VAL 87 CO 0.08 0.41 0.00 1.56 0.02 0.00 0.00 177.57 179.64 2kkv h GLN 88 N 1.02 0.33 -0.00 1.57 1.08 -1.15 -1.02 115.11 116.94 2kkv h GLN 88 Ca 0.19 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2kkv h GLN 88 Cb 0.50 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2kkv h GLN 88 CO 0.02 0.36 -0.11 -1.71 -0.95 0.00 0.00 178.83 176.44 2kkv n ASN 89 N -4.36 0.42 -1.83 1.46 4.05 -1.03 -4.92 115.26 109.06 2kkv n ASN 89 Ca 0.00 -0.49 -0.18 0.00 0.45 0.00 0.00 54.58 54.36 2kkv n ASN 89 Cb 0.19 -0.09 -0.04 0.00 1.23 0.00 0.00 39.78 41.07 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2kkv n ASP 90 N -1.02 -5.28 -0.10 1.20 9.92 -0.39 -4.90 116.55 115.99 2kkv n ASP 90 Ca 0.14 0.17 -0.20 0.00 -0.53 0.00 0.00 54.79 54.37 2kkv n ASP 90 Cb 0.28 -4.36 -0.09 0.00 -0.64 0.00 0.00 41.12 36.30 2kkv n ASP 90 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2kkv n TYR 91 N -3.42 0.88 0.24 1.24 4.01 -1.18 -4.33 117.16 114.60 2kkv n TYR 91 Ca -0.20 0.38 0.11 0.00 -0.16 0.00 0.00 57.90 58.03 2kkv n TYR 91 Cb 0.64 -1.02 0.56 0.00 -0.31 0.00 0.00 39.34 39.20 2kkv n TYR 91 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 2kkv h ILE 92 N -1.00 0.53 0.00 -0.72 3.07 -1.89 -3.46 117.51 114.03 2kkv h ILE 92 Ca -0.32 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.17 2kkv h ILE 92 Cb 1.20 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2kkv h ILE 92 CO -0.19 0.18 0.00 -0.67 -1.05 0.00 0.00 178.15 176.42 2kkv n ASP 93 N -3.44 0.00 -4.76 2.16 2.03 -1.26 -4.79 116.55 106.49 2kkv n ASP 93 Ca -0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.02 2kkv n ASP 93 Cb 0.37 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.00 4.31 -0.60 1.67 0.01 -1.26 -5.05 113.70 112.78 2kkv s SER 94 Ca 0.00 0.59 0.04 0.00 1.31 0.00 0.00 55.95 57.89 2kkv s SER 94 Cb 0.00 -1.03 0.15 0.00 0.21 0.00 0.00 66.02 65.35 2kkv s SER 94 CO 0.00 -2.00 0.36 0.20 0.41 0.00 0.00 173.24 172.22 2kkv s ASN 95 N -4.63 4.55 1.02 2.44 -0.87 -1.26 -4.92 114.94 111.27 2kkv s ASN 95 Ca 0.64 -3.37 -0.14 0.00 -1.57 0.00 0.00 52.86 48.42 2kkv s ASN 95 Cb -0.09 -1.64 0.19 0.00 -0.02 0.00 0.00 41.25 39.69 2kkv s ASN 95 CO 0.49 -0.17 1.09 -0.81 -2.57 0.00 0.00 177.10 175.13 2kkv n PRO 96 N 2.63 -1.26 -2.00 -0.60 -0.04 -1.26 -4.13 135.00 128.34 2kkv n PRO 96 Ca 0.11 -1.69 -0.11 0.00 -0.04 0.00 0.00 63.50 61.77 2kkv n PRO 96 Cb 0.33 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 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 -3.80 -0.55 0.18 0.55 0.00 -1.26 -4.87 120.51 110.76 2kkv n ALA 97 Ca -0.18 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 2kkv n ALA 97 Cb 0.48 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 2kkv n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kkv h SER 98 N 0.00 -0.38 -2.37 0.00 0.02 -1.95 -3.28 113.55 105.59 2kkv h SER 98 Ca -0.26 0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 60.02 2kkv h SER 98 Cb 1.02 0.10 -0.36 0.00 0.14 0.00 0.00 62.40 63.30 2kkv h SER 98 CO 0.33 -0.27 0.06 -0.67 -1.14 0.00 0.00 176.83 175.13 2kkv n ASP 99 N -3.24 5.41 -0.08 3.07 2.03 -1.26 -4.78 116.55 117.70 2kkv n ASP 99 Ca -0.06 -3.58 -0.14 0.00 0.52 0.00 0.00 54.79 51.53 2kkv n ASP 99 Cb 0.18 -0.87 -0.14 0.00 -0.72 0.00 0.00 41.12 39.57 2kkv n ASP 99 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2kkv n MET 100 N 0.34 0.68 -3.55 -0.67 1.56 -1.24 -4.75 117.12 109.50 2kkv n MET 100 Ca 0.34 0.14 -0.41 0.00 -0.27 0.00 0.00 57.70 57.50 2kkv n MET 100 Cb 0.35 -1.60 -0.10 0.00 2.15 0.00 0.00 33.22 34.02 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kkv s ALA 101 N -2.53 3.36 -0.28 -5.12 0.00 -1.26 -4.97 121.76 110.96 2kkv s ALA 101 Ca -0.19 -2.07 -0.25 0.00 0.00 0.00 0.00 51.96 49.45 2kkv s ALA 101 Cb 0.07 -2.75 0.12 0.00 0.00 0.00 0.00 23.12 20.57 2kkv s ALA 101 CO 0.75 -1.63 1.04 0.20 0.00 0.00 0.00 175.76 176.12 2kkv s GLY 102 N 2.15 -0.14 -0.28 0.00 0.00 -1.26 -5.08 107.32 102.70 2kkv s GLY 102 Ca 0.03 2.68 -0.01 0.00 0.00 0.00 0.00 44.72 47.42 2kkv s GLY 102 CO 0.04 1.81 0.02 0.00 0.00 0.00 0.00 173.10 174.98 2kkv n ALA 103 N 2.16 -3.50 0.15 3.20 0.00 -1.26 -4.95 120.51 116.31 2kkv n ALA 103 Ca -0.12 0.66 0.10 0.00 0.00 0.00 0.00 53.44 54.08 2kkv n ALA 103 Cb 0.56 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.77 2kkv n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kkv h LEU 104 N 3.02 0.00 0.00 0.00 3.38 -2.02 -3.42 115.31 116.26 2kkv h LEU 104 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kkv h LEU 104 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kkv h LEU 104 CO 0.09 0.07 -0.04 -0.24 0.09 0.00 0.00 178.44 178.40 2kkv n SER 105 N -2.89 0.14 -3.70 -0.43 2.88 -1.26 -5.09 113.62 103.27 2kkv n SER 105 Ca 0.01 0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 2kkv n SER 105 Cb 0.57 -0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kkv s THR 106 N -1.13 -0.06 0.41 2.46 -4.23 -1.26 -5.15 115.64 106.67 2kkv s THR 106 Ca -0.01 0.11 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 2kkv s THR 106 Cb 0.00 -0.57 -0.08 0.00 1.34 0.00 0.00 72.50 73.19 2kkv s THR 106 CO 0.02 0.05 1.16 -0.89 -0.54 0.00 0.00 174.62 174.41 2kkv s THR 107 N 1.45 3.20 -0.15 3.99 2.01 -1.26 -4.88 115.64 120.01 2kkv s THR 107 Ca -0.09 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 62.83 2kkv s THR 107 Cb -0.09 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2kkv s THR 107 CO -0.12 0.07 0.09 -0.54 -0.69 0.00 0.00 174.62 173.43 2kkv s LYS 108 N -2.37 3.65 0.00 4.92 3.01 -1.26 -4.96 119.74 122.74 2kkv s LYS 108 Ca 0.58 -0.25 0.00 0.00 -1.01 0.00 0.00 55.97 55.29 2kkv s LYS 108 Cb -0.30 -3.17 0.00 0.00 -1.01 0.00 0.00 37.83 33.35 2kkv s LYS 108 CO 0.37 0.54 0.00 0.00 0.51 0.00 0.00 175.35 176.77 2kkv n ALA 109 N 2.71 2.78 -2.85 5.17 0.00 -1.26 -5.11 120.51 121.95 2kkv n ALA 109 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 2kkv n ALA 109 Cb 0.53 0.25 0.01 0.00 0.00 0.00 0.00 19.45 20.24 2kkv n ALA 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kkv n ARG 110 N -2.59 -2.76 -3.57 0.00 3.00 -1.26 -5.05 116.66 104.42 2kkv n ARG 110 Ca 0.00 2.32 -0.19 0.00 -0.00 0.00 0.00 57.85 59.98 2kkv n ARG 110 Cb 0.25 -4.94 -0.14 0.00 0.00 0.00 0.00 32.46 27.64 2kkv n ARG 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2kkv s HIS 111 N -1.92 -0.19 -0.51 -0.14 2.46 -1.26 -5.11 115.29 108.63 2kkv s HIS 111 Ca 0.11 0.31 -0.23 0.00 0.47 0.00 0.00 55.06 55.72 2kkv s HIS 111 Cb -0.03 -0.36 0.04 0.00 -0.13 0.00 0.00 32.58 32.10 2kkv s HIS 111 CO 0.72 -0.47 0.84 -0.47 -2.47 0.00 0.00 174.74 172.89 2kkv s TYR 112 N 2.30 2.90 -0.61 3.88 5.04 -1.26 -4.99 117.35 124.61 2kkv s TYR 112 Ca 0.05 -0.01 -0.24 0.00 -2.44 0.00 0.00 57.07 54.42 2kkv s TYR 112 Cb -0.14 -3.85 0.05 0.00 0.35 0.00 0.00 41.96 38.36 2kkv s TYR 112 CO -0.10 -1.17 1.01 -1.25 -1.34 0.00 0.00 175.55 172.70 2kkv s PRO 113 N 3.52 3.25 -0.04 4.97 0.05 -1.26 -4.78 135.00 140.71 2kkv s PRO 113 Ca 0.28 -0.42 0.21 0.00 0.05 0.00 0.00 61.00 61.13 2kkv s PRO 113 Cb -0.13 -4.12 -0.30 0.00 0.05 0.00 0.00 34.50 29.99 2kkv s PRO 113 CO 0.20 -1.69 0.45 -0.11 0.05 0.00 0.00 177.00 175.90 2kkv n LEU 114 N 7.84 0.06 -4.47 -3.56 7.94 -1.26 -4.88 117.00 118.67 2kkv n LEU 114 Ca 0.00 0.02 -0.36 0.00 -1.11 0.00 0.00 56.01 54.56 2kkv n LEU 114 Cb 0.47 0.08 -0.12 0.00 0.53 0.00 0.00 43.42 44.38 2kkv n LEU 114 CO 0.65 0.08 -0.27 -0.70 -1.11 0.00 0.00 177.39 176.04 2kkv s GLU 115 N -3.33 3.70 0.01 1.96 2.12 -1.26 -5.08 118.70 116.82 2kkv s GLU 115 Ca -0.08 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2kkv s GLU 115 Cb 0.12 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 2kkv s GLU 115 CO 0.89 -0.16 -0.05 -1.01 -0.54 0.00 0.00 175.26 174.39 2kkv s HIS 116 N 1.55 0.42 -0.34 5.30 3.76 -1.26 -5.13 115.29 119.59 2kkv s HIS 116 Ca 0.06 -0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2kkv s HIS 116 Cb -0.15 -0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.27 2kkv s HIS 116 CO 0.04 -0.06 0.46 -1.01 -0.85 0.00 0.00 174.74 173.33 2kkv s HIS 117 N -0.67 3.20 -0.33 1.40 3.76 -1.26 -5.04 115.29 116.35 2kkv s HIS 117 Ca -0.05 0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 2kkv s HIS 117 Cb -0.05 -2.82 -0.02 0.00 1.11 0.00 0.00 32.58 30.79 2kkv s HIS 117 CO -0.00 -0.48 0.22 -1.58 -0.85 0.00 0.00 174.74 172.04 2kkv s HIS 118 N 2.26 3.22 -0.05 1.40 2.46 -1.26 -5.05 115.29 118.27 2kkv s HIS 118 Ca 0.17 -0.22 -0.02 0.00 0.47 0.00 0.00 55.06 55.45 2kkv s HIS 118 Cb -0.16 -2.44 0.04 0.00 -0.13 0.00 0.00 32.58 29.89 2kkv s HIS 118 CO 0.12 -0.34 0.10 -1.58 -2.47 0.00 0.00 174.74 170.57 2kkv s HIS 119 N 1.71 -0.04 -0.29 3.88 5.04 -1.26 -5.13 115.29 119.20 2kkv s HIS 119 Ca 0.06 0.38 -0.19 0.00 -1.54 0.00 0.00 55.06 53.76 2kkv s HIS 119 Cb -0.17 -0.34 0.16 0.00 0.04 0.00 0.00 32.58 32.27 2kkv s HIS 119 CO 0.10 -0.20 1.11 -1.58 -2.34 0.00 0.00 174.74 171.83 2kkv s HIS 120 N 1.96 -0.38 -2.23 3.88 5.04 -1.26 -5.35 115.29 116.95 2kkv s HIS 120 Ca 0.01 0.81 0.30 0.00 -1.54 0.00 0.00 55.06 54.65 2kkv s HIS 120 Cb -0.12 0.31 1.51 0.00 0.04 0.00 0.00 32.58 34.32 2kkv s HIS 120 CO -0.04 -0.19 2.00 1.58 -2.34 0.00 0.00 174.74 175.76