#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkn s THR 2 N 0.00 5.29 -0.11 3.17 2.01 -0.65 -4.89 115.64 120.45 3kkn s THR 2 Ca 0.00 0.57 -0.13 0.00 0.31 0.00 0.00 61.69 62.44 3kkn s THR 2 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3kkn s THR 2 CO 0.00 0.36 0.29 -0.70 -0.69 0.00 0.00 174.62 173.88 3kkn s GLU 3 N 0.64 4.00 -0.07 4.92 2.12 -1.26 -0.40 118.70 128.65 3kkn s GLU 3 Ca 0.17 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.67 3kkn s GLU 3 Cb -0.13 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.93 3kkn s GLU 3 CO 0.05 0.47 -0.20 0.71 -0.54 0.00 0.00 175.26 175.74 3kkn s TYR 4 N -0.24 2.12 -0.44 5.30 1.51 0.52 -4.94 117.35 121.19 3kkn s TYR 4 Ca 0.18 -0.78 -0.16 0.00 -1.01 0.00 0.00 57.07 55.30 3kkn s TYR 4 Cb -0.14 -1.44 0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3kkn s TYR 4 CO 0.06 -0.31 0.39 0.15 -1.11 0.00 0.00 175.55 174.73 3kkn s LYS 5 N 0.29 3.02 -0.06 -0.62 -0.14 -1.26 -0.31 119.74 120.66 3kkn s LYS 5 Ca -0.13 -1.01 0.01 0.00 -1.36 0.00 0.00 55.97 53.48 3kkn s LYS 5 Cb -0.16 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 31.94 3kkn s LYS 5 CO 0.06 -0.88 -0.04 -0.51 -0.76 0.00 0.00 175.35 173.21 3kkn s LEU 6 N 1.88 3.31 -0.12 3.17 1.43 0.49 -0.18 118.68 128.67 3kkn s LEU 6 Ca 0.08 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3kkn s LEU 6 Cb -0.20 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3kkn s LEU 6 CO 0.10 0.35 -0.18 -0.69 0.23 0.00 0.00 176.35 176.16 3kkn s VAL 7 N -0.88 1.73 -0.26 -1.59 1.01 -0.47 -0.82 120.40 119.11 3kkn s VAL 7 Ca 0.14 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3kkn s VAL 7 Cb -0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3kkn s VAL 7 CO 0.03 0.49 0.21 -0.69 0.00 0.00 0.00 175.10 175.14 3kkn s VAL 8 N 0.88 5.31 0.23 2.92 1.01 0.27 -0.77 120.40 130.24 3kkn s VAL 8 Ca -0.08 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3kkn s VAL 8 Cb -0.15 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3kkn s VAL 8 CO -0.01 0.27 -0.04 0.68 0.00 0.00 0.00 175.10 176.00 3kkn s VAL 9 N 1.57 1.25 0.00 2.92 -7.23 -0.19 -2.28 120.40 116.43 3kkn s VAL 9 Ca 0.08 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3kkn s VAL 9 Cb -0.15 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3kkn s VAL 9 CO 0.09 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 3kkn n GLY 10 N -0.43 3.36 3.68 2.32 0.00 -1.26 -1.10 105.19 111.76 3kkn n GLY 10 Ca -0.06 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 3kkn n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkn s ALA 11 N -2.00 1.52 0.15 4.61 0.00 -1.26 -4.04 121.76 120.74 3kkn s ALA 11 Ca 0.00 0.59 -0.34 0.00 0.00 0.00 0.00 51.96 52.21 3kkn s ALA 11 Cb 0.00 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 3kkn s ALA 11 CO 0.00 -2.71 1.46 0.41 0.00 0.00 0.00 175.76 174.92 3kkn n GLY 12 N 0.17 0.82 2.35 0.00 0.00 -1.26 -3.02 105.19 104.26 3kkn n GLY 12 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3kkn n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kkn n GLY 13 N 2.88 0.71 0.24 -0.02 0.00 -1.26 -4.92 105.19 102.83 3kkn n GLY 13 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3kkn n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kkn h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.47 116.25 110.98 3kkn h VAL 14 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3kkn h VAL 14 Cb 0.00 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3kkn h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kkn n GLY 15 N 0.51 1.89 0.09 5.19 0.00 -1.26 -4.56 105.19 107.05 3kkn n GLY 15 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3kkn n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kkn h LYS 16 N 0.00 -0.05 -0.30 1.61 1.57 -1.90 -1.00 116.57 116.50 3kkn h LYS 16 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kkn h LYS 16 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kkn h LYS 16 CO 0.00 -0.03 -0.03 0.77 -0.57 0.00 0.00 179.45 179.59 3kkn h SER 17 N -0.05 0.54 -0.78 0.86 0.02 -1.95 -2.39 113.55 109.80 3kkn h SER 17 Ca 0.04 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.71 3kkn h SER 17 Cb 0.11 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 3kkn h SER 17 CO -0.10 0.74 0.48 0.00 -1.14 0.00 0.00 176.83 176.82 3kkn h ALA 18 N 0.82 1.04 -0.20 3.77 0.00 -1.93 0.18 119.26 122.94 3kkn h ALA 18 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kkn h ALA 18 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kkn h ALA 18 CO 0.02 0.24 0.05 -0.07 0.00 0.00 0.00 179.25 179.49 3kkn h LEU 19 N 0.91 0.30 0.05 0.00 3.38 -1.15 -1.25 115.31 117.55 3kkn h LEU 19 Ca 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kkn h LEU 19 Cb 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kkn h LEU 19 CO -0.14 0.45 -0.02 0.74 0.09 0.00 0.00 178.44 179.56 3kkn h THR 20 N 0.13 0.99 -0.60 0.22 2.02 -0.95 -1.95 112.91 112.77 3kkn h THR 20 Ca 0.06 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3kkn h THR 20 Cb 0.27 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3kkn h THR 20 CO 0.00 0.03 0.39 0.40 0.37 0.00 0.00 175.52 176.71 3kkn h ILE 21 N -0.12 1.13 -0.58 3.11 1.08 -0.67 -1.30 117.51 120.17 3kkn h ILE 21 Ca -0.01 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 3kkn h ILE 21 Cb 0.10 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 3kkn h ILE 21 CO 0.01 0.14 0.38 1.56 -0.69 0.00 0.00 178.15 179.56 3kkn h GLN 22 N 0.79 0.71 -0.05 2.37 1.08 -1.04 -0.40 115.11 118.58 3kkn h GLN 22 Ca 0.22 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 3kkn h GLN 22 Cb -0.07 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.20 3kkn h GLN 22 CO -0.06 0.47 -0.10 1.25 -0.95 0.00 0.00 178.83 179.44 3kkn h LEU 23 N 0.73 0.16 0.00 1.46 5.85 -0.81 -3.39 115.31 119.32 3kkn h LEU 23 Ca 0.22 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3kkn h LEU 23 Cb -0.01 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3kkn h LEU 23 CO -0.05 0.71 -0.83 2.30 -0.34 0.00 0.00 178.44 180.23 3kkn n ILE 24 N -4.68 0.04 -1.70 4.05 -6.64 -0.54 -4.96 119.36 104.93 3kkn n ILE 24 Ca -0.08 -0.06 -0.44 0.00 -1.77 0.00 0.00 62.75 60.40 3kkn n ILE 24 Cb 0.35 0.52 -0.03 0.00 -1.44 0.00 0.00 39.64 39.04 3kkn n ILE 24 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kkn n GLN 25 N -1.62 2.35 -0.18 6.28 1.13 -0.18 -4.88 117.38 120.28 3kkn n GLN 25 Ca 0.04 0.84 0.12 0.00 -1.94 0.00 0.00 57.00 56.06 3kkn n GLN 25 Cb 0.36 -2.59 0.24 0.00 0.11 0.00 0.00 30.24 28.37 3kkn n GLN 25 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3kkn n ASN 26 N 2.74 3.15 0.00 1.08 0.23 -1.26 -4.98 115.26 116.23 3kkn n ASN 26 Ca 0.13 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 3kkn n ASN 26 Cb 0.33 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3kkn n ASN 26 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3kkn n HIS 27 N 1.29 0.00 -0.04 -2.53 8.25 -1.26 -4.86 115.22 116.07 3kkn n HIS 27 Ca 0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.56 3kkn n HIS 27 Cb 0.56 -1.76 -0.03 0.00 1.12 0.00 0.00 29.99 29.88 3kkn n HIS 27 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kkn h PHE 28 N 0.00 0.10 -3.34 4.41 3.57 -2.01 -3.38 116.94 116.28 3kkn h PHE 28 Ca 0.00 0.01 -0.58 0.00 3.53 0.00 0.00 57.97 60.93 3kkn h PHE 28 Cb 0.87 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 3kkn h PHE 28 CO 0.55 0.04 0.29 0.08 -2.23 0.00 0.00 178.31 177.05 3kkn s VAL 29 N -6.18 4.93 0.07 1.41 1.01 -1.26 -4.99 120.40 115.39 3kkn s VAL 29 Ca -0.13 1.47 -0.35 0.00 0.00 0.00 0.00 61.98 62.97 3kkn s VAL 29 Cb 0.09 -4.07 -0.19 0.00 0.00 0.00 0.00 36.38 32.21 3kkn s VAL 29 CO 0.69 0.05 1.60 0.44 0.00 0.00 0.00 175.10 177.89 3kkn h ASP 30 N 7.40 -0.93 -3.38 3.32 3.32 -2.02 -3.43 116.42 120.70 3kkn h ASP 30 Ca -0.30 0.04 -0.59 0.00 0.02 0.00 0.00 57.03 56.20 3kkn h ASP 30 Cb 1.13 0.25 -0.33 0.00 0.22 0.00 0.00 39.33 40.60 3kkn h ASP 30 CO 0.82 -0.65 -0.84 -1.61 -1.72 0.00 0.00 179.24 175.23 3kkn s GLU 31 N -6.03 2.29 -0.21 3.56 2.02 -1.26 -5.03 118.70 114.04 3kkn s GLU 31 Ca -0.18 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 3kkn s GLU 31 Cb 0.03 -1.80 0.07 0.00 0.10 0.00 0.00 34.13 32.53 3kkn s GLU 31 CO 0.61 0.09 0.05 -0.47 0.02 0.00 0.00 175.26 175.56 3kkn s TYR 32 N 0.53 1.05 -0.70 1.61 5.04 -1.26 -5.09 117.35 118.53 3kkn s TYR 32 Ca -0.16 -0.94 -0.04 0.00 -2.44 0.00 0.00 57.07 53.49 3kkn s TYR 32 Cb -0.17 -1.08 0.18 0.00 0.35 0.00 0.00 41.96 41.24 3kkn s TYR 32 CO 0.06 -0.65 0.54 -0.51 -1.34 0.00 0.00 175.55 173.65 3kkn s ASP 33 N 1.85 5.55 0.30 4.32 1.11 -1.26 -5.02 116.67 123.51 3kkn s ASP 33 Ca 0.01 -2.98 -0.29 0.00 0.18 0.00 0.00 52.55 49.47 3kkn s ASP 33 Cb -0.17 -1.91 -0.10 0.00 1.07 0.00 0.00 42.92 41.81 3kkn s ASP 33 CO -0.11 -0.37 1.39 -2.16 1.18 0.00 0.00 175.17 175.10 3kkn s PRO 34 N -0.24 4.29 -0.11 8.23 0.05 -1.26 -4.92 135.00 141.03 3kkn s PRO 34 Ca 0.19 2.29 0.16 0.00 0.05 0.00 0.00 61.00 63.69 3kkn s PRO 34 Cb -0.17 -3.08 -0.24 0.00 0.05 0.00 0.00 34.50 31.06 3kkn s PRO 34 CO -0.05 -0.34 0.37 0.43 0.05 0.00 0.00 177.00 177.46 3kkn n SER 35 N 1.51 0.40 -4.45 6.66 7.64 -1.26 -4.97 113.62 119.16 3kkn n SER 35 Ca 0.03 0.19 -0.21 0.00 1.01 0.00 0.00 58.87 59.89 3kkn n SER 35 Cb 0.41 0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 64.07 3kkn n SER 35 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3kkn s ILE 36 N -2.61 1.22 0.64 0.44 -4.36 -1.26 -5.13 121.20 110.15 3kkn s ILE 36 Ca -0.07 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.13 3kkn s ILE 36 Cb 0.07 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 3kkn s ILE 36 CO 0.83 -0.03 1.23 -1.84 0.24 0.00 0.00 174.94 175.36 3kkn n GLU 37 N -0.67 1.07 -3.73 0.37 0.28 -1.26 -5.02 120.64 111.68 3kkn n GLU 37 Ca -0.03 0.42 -0.05 0.00 -0.16 0.00 0.00 57.16 57.34 3kkn n GLU 37 Cb 0.66 -2.46 -0.02 0.00 1.43 0.00 0.00 31.44 31.06 3kkn n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3kkn s ASP 38 N -1.35 -0.24 -0.07 -1.84 3.68 -1.05 -5.02 116.67 110.78 3kkn s ASP 38 Ca 0.81 -0.38 0.02 0.00 2.13 0.00 0.00 52.55 55.13 3kkn s ASP 38 Cb -0.39 0.54 -0.03 0.00 -1.45 0.00 0.00 42.92 41.60 3kkn s ASP 38 CO 0.42 -0.98 -0.10 -0.55 0.13 0.00 0.00 175.17 174.09 3kkn s SER 39 N -2.87 4.38 0.11 -0.34 0.15 -1.26 -1.35 113.70 112.53 3kkn s SER 39 Ca 0.10 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.68 3kkn s SER 39 Cb -0.02 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 3kkn s SER 39 CO 0.01 0.33 -0.10 -0.31 1.20 0.00 0.00 173.24 174.37 3kkn s TYR 40 N -0.63 1.12 0.07 3.44 1.51 0.55 -4.97 117.35 118.44 3kkn s TYR 40 Ca 0.09 -0.70 0.08 0.00 -1.01 0.00 0.00 57.07 55.53 3kkn s TYR 40 Cb -0.11 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 3kkn s TYR 40 CO 0.01 0.01 -0.22 1.03 -1.11 0.00 0.00 175.55 175.28 3kkn s ARG 41 N -3.15 1.33 -0.13 -0.62 0.52 -1.26 -0.10 118.95 115.55 3kkn s ARG 41 Ca 0.09 -1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 54.16 3kkn s ARG 41 Cb -0.01 -1.55 0.06 0.00 0.52 0.00 0.00 34.95 33.97 3kkn s ARG 41 CO -0.00 0.38 0.28 0.21 0.02 0.00 0.00 175.30 176.19 3kkn s LYS 42 N -1.55 0.21 -0.20 3.54 2.47 -0.58 -4.91 119.74 118.73 3kkn s LYS 42 Ca 0.08 0.68 -0.13 0.00 -1.56 0.00 0.00 55.97 55.05 3kkn s LYS 42 Cb -0.09 -0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.18 3kkn s LYS 42 CO 0.03 -0.22 0.25 -1.14 0.16 0.00 0.00 175.35 174.43 3kkn s GLN 43 N 1.84 4.17 -0.04 4.03 0.74 -1.26 -0.43 119.66 128.70 3kkn s GLN 43 Ca -0.05 -0.05 -0.20 0.00 0.05 0.00 0.00 55.36 55.12 3kkn s GLN 43 Cb -0.11 -3.49 0.04 0.00 1.10 0.00 0.00 33.01 30.55 3kkn s GLN 43 CO -0.09 0.12 0.43 0.54 -0.55 0.00 0.00 175.29 175.74 3kkn s VAL 44 N 0.86 0.04 -0.19 1.34 0.11 -0.61 -4.99 120.40 116.96 3kkn s VAL 44 Ca 0.13 -0.30 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 3kkn s VAL 44 Cb -0.13 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3kkn s VAL 44 CO 0.04 -0.17 0.58 -0.69 -3.33 0.00 0.00 175.10 171.53 3kkn s VAL 45 N -1.18 5.07 -0.21 2.04 1.01 -1.26 0.08 120.40 125.94 3kkn s VAL 45 Ca -0.12 1.08 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3kkn s VAL 45 Cb -0.04 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3kkn s VAL 45 CO 0.06 0.15 -0.06 -0.63 0.00 0.00 0.00 175.10 174.63 3kkn s ILE 46 N 1.69 1.36 -1.39 2.22 1.01 0.02 -4.74 121.20 121.37 3kkn s ILE 46 Ca 0.27 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3kkn s ILE 46 Cb -0.16 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.76 3kkn s ILE 46 CO 0.10 0.00 0.98 0.47 0.00 0.00 0.00 174.94 176.49 3kkn n ASP 47 N 4.76 -4.05 0.00 3.58 10.43 -1.26 -2.23 116.55 127.79 3kkn n ASP 47 Ca -0.12 -0.70 0.00 0.00 2.57 0.00 0.00 54.79 56.54 3kkn n ASP 47 Cb 0.46 -4.40 0.00 0.00 1.84 0.00 0.00 41.12 39.01 3kkn n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kkn n GLY 48 N -1.68 2.51 3.70 0.44 0.00 -1.26 -5.01 105.19 103.89 3kkn n GLY 48 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3kkn n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kkn s GLU 49 N -0.16 4.20 -0.20 1.61 2.12 -0.94 -5.05 118.70 120.27 3kkn s GLU 49 Ca 0.00 -0.00 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 3kkn s GLU 49 Cb 0.00 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 3kkn s GLU 49 CO 0.00 0.16 1.21 0.99 -0.54 0.00 0.00 175.26 177.08 3kkn s THR 50 N 0.72 4.37 0.07 -1.70 2.01 -1.26 -0.80 115.64 119.05 3kkn s THR 50 Ca 0.14 1.64 0.06 0.00 0.31 0.00 0.00 61.69 63.84 3kkn s THR 50 Cb -0.13 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3kkn s THR 50 CO 0.04 -0.20 -0.10 0.00 -0.69 0.00 0.00 174.62 173.66 3kkn s LEU 52 N -1.89 3.43 -0.28 0.00 2.96 0.46 -1.57 118.68 121.79 3kkn s LEU 52 Ca 0.19 -1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 52.89 3kkn s LEU 52 Cb -0.11 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3kkn s LEU 52 CO 0.11 -0.17 0.45 -0.76 -1.32 0.00 0.00 176.35 174.65 3kkn s LEU 53 N 1.28 4.10 -0.33 -0.68 1.43 0.43 -0.35 118.68 124.56 3kkn s LEU 53 Ca -0.02 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 3kkn s LEU 53 Cb -0.18 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3kkn s LEU 53 CO -0.04 -0.27 0.42 -1.81 0.23 0.00 0.00 176.35 174.88 3kkn s ASP 54 N 1.62 6.25 -0.20 2.29 1.01 0.58 -1.52 116.67 126.70 3kkn s ASP 54 Ca 0.18 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.39 3kkn s ASP 54 Cb -0.16 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.55 3kkn s ASP 54 CO 0.10 -0.35 -0.11 -0.63 0.21 0.00 0.00 175.17 174.39 3kkn s ILE 55 N 2.16 2.84 -0.33 0.77 1.01 0.86 -0.38 121.20 128.14 3kkn s ILE 55 Ca 0.15 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 3kkn s ILE 55 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3kkn s ILE 55 CO 0.12 0.48 0.21 -0.22 0.00 0.00 0.00 174.94 175.52 3kkn s LEU 56 N 1.31 4.35 -0.56 2.97 2.96 -0.00 -0.33 118.68 129.38 3kkn s LEU 56 Ca 0.04 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.35 3kkn s LEU 56 Cb -0.14 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.54 3kkn s LEU 56 CO -0.06 -0.20 0.67 -0.62 -1.32 0.00 0.00 176.35 174.81 3kkn s ASP 57 N 1.69 6.20 0.59 3.68 2.15 -0.45 -0.57 116.67 129.96 3kkn s ASP 57 Ca 0.06 -1.22 -0.06 0.00 0.43 0.00 0.00 52.55 51.76 3kkn s ASP 57 Cb -0.17 -2.30 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 3kkn s ASP 57 CO 0.09 -1.02 0.90 0.42 -0.17 0.00 0.00 175.17 175.39 3kkn s THR 58 N 2.65 3.59 0.51 1.71 -4.23 -0.97 -2.51 115.64 116.39 3kkn s THR 58 Ca 0.13 -0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.51 3kkn s THR 58 Cb -0.22 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 3kkn s THR 58 CO 0.08 -0.43 0.87 0.00 -0.54 0.00 0.00 174.62 174.60 3kkn s ALA 59 N -2.98 3.28 0.85 3.99 0.00 -1.26 -4.85 121.76 120.79 3kkn s ALA 59 Ca 0.54 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 3kkn s ALA 59 Cb -0.11 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.32 3kkn s ALA 59 CO 0.45 -0.38 1.08 0.41 0.00 0.00 0.00 175.76 177.32 3kkn n GLY 60 N -2.18 -0.38 0.36 0.00 0.00 -1.26 -4.80 105.19 96.94 3kkn n GLY 60 Ca 0.03 -0.58 0.16 0.00 0.00 0.00 0.00 46.02 45.63 3kkn n GLY 60 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kkn h GLN 61 N -1.27 0.00 -0.47 1.61 4.20 -1.95 -1.70 115.11 115.53 3kkn h GLN 61 Ca -0.45 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 3kkn h GLN 61 Cb 1.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 3kkn h GLN 61 CO 0.43 0.00 0.22 1.05 -0.67 0.00 0.00 178.83 179.87 3kkn h GLU 62 N 0.00 0.68 -6.65 1.46 9.09 -1.95 -3.45 114.58 113.77 3kkn h GLU 62 Ca 0.09 -0.10 -0.50 0.00 0.05 0.00 0.00 59.36 58.89 3kkn h GLU 62 Cb 1.05 -0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 28.00 3kkn h GLU 62 CO -0.00 0.58 0.06 -1.21 0.05 0.00 0.00 179.01 178.48 3kkn s GLU 63 N -5.70 4.00 0.02 1.06 2.02 -0.64 -5.05 118.70 114.41 3kkn s GLU 63 Ca -0.13 0.63 -0.27 0.00 0.02 0.00 0.00 54.97 55.21 3kkn s GLU 63 Cb 0.11 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3kkn s GLU 63 CO 0.76 0.22 0.85 -0.47 0.02 0.00 0.00 175.26 176.64 3kkn s TYR 64 N -1.89 3.70 -0.12 1.61 5.04 -1.26 -4.84 117.35 119.59 3kkn s TYR 64 Ca 0.51 1.56 -0.03 0.00 -2.44 0.00 0.00 57.07 56.67 3kkn s TYR 64 Cb -0.11 -2.95 0.04 0.00 0.35 0.00 0.00 41.96 39.29 3kkn s TYR 64 CO 0.18 0.14 0.05 0.45 -1.34 0.00 0.00 175.55 175.03 3kkn s SER 65 N 0.43 1.98 0.34 4.32 0.15 -1.26 -5.04 113.70 114.62 3kkn s SER 65 Ca 0.44 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.81 3kkn s SER 65 Cb -0.21 -0.35 0.78 0.00 -1.71 0.00 0.00 66.02 64.54 3kkn s SER 65 CO 0.25 -0.28 1.85 0.00 1.20 0.00 0.00 173.24 176.26 3kkn h ALA 66 N 8.36 1.79 -0.33 5.45 0.00 -2.06 -2.92 119.26 129.55 3kkn h ALA 66 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kkn h ALA 66 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kkn h ALA 66 CO 0.26 -0.06 0.00 -1.33 0.00 0.00 0.00 179.25 178.12 3kkn n MET 67 N -4.60 2.03 -0.18 0.00 2.81 -1.26 -4.51 117.12 111.41 3kkn n MET 67 Ca 0.19 -1.57 -0.02 0.00 -1.81 0.00 0.00 57.70 54.49 3kkn n MET 67 Cb 0.49 -1.41 0.08 0.00 -0.71 0.00 0.00 33.22 31.67 3kkn n MET 67 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3kkn h ARG 68 N 2.89 0.40 -0.36 0.03 2.43 -1.95 0.18 114.38 117.99 3kkn h ARG 68 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kkn h ARG 68 Cb 0.64 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3kkn h ARG 68 CO 0.00 0.27 0.21 -0.44 -1.51 0.00 0.00 179.97 178.50 3kkn h ASP 69 N 0.42 0.35 0.16 -3.80 3.32 -1.85 -1.65 116.42 113.36 3kkn h ASP 69 Ca 0.27 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 3kkn h ASP 69 Cb 0.28 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3kkn h ASP 69 CO -0.25 0.25 -0.34 1.56 -1.72 0.00 0.00 179.24 178.74 3kkn h GLN 70 N 0.44 0.26 -0.55 3.56 1.08 -1.60 -0.78 115.11 117.52 3kkn h GLN 70 Ca 0.14 -0.11 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 3kkn h GLN 70 Cb -0.00 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 3kkn h GLN 70 CO -0.06 0.58 0.28 1.88 -0.95 0.00 0.00 178.83 180.56 3kkn h TYR 71 N 0.23 0.51 -0.31 2.96 0.99 -0.31 0.37 116.97 121.41 3kkn h TYR 71 Ca 0.03 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.62 3kkn h TYR 71 Cb 0.72 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 38.29 3kkn h TYR 71 CO 0.01 0.24 -0.46 0.52 -0.00 0.00 0.00 178.16 178.48 3kkn h MET 72 N 0.54 0.81 -0.54 4.88 2.86 -0.85 0.17 114.93 122.80 3kkn h MET 72 Ca 0.25 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3kkn h MET 72 Cb 0.16 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3kkn h MET 72 CO -0.17 1.10 0.31 0.00 1.06 0.00 0.00 176.91 179.21 3kkn h ARG 73 N 0.65 0.74 -0.30 1.72 2.47 -0.94 -3.13 114.38 115.59 3kkn h ARG 73 Ca 0.04 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 3kkn h ARG 73 Cb 1.04 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 3kkn h ARG 73 CO 0.10 0.56 -0.26 1.15 0.56 0.00 0.00 179.97 182.08 3kkn h THR 74 N 0.73 1.30 -2.20 2.04 2.02 -0.81 -3.45 112.91 112.53 3kkn h THR 74 Ca 0.19 -1.42 -0.62 0.00 0.77 0.00 0.00 66.41 65.33 3kkn h THR 74 Cb 0.02 1.55 0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3kkn h THR 74 CO -0.03 0.46 0.50 0.61 0.37 0.00 0.00 175.52 177.43 3kkn n GLY 75 N 0.12 0.55 0.07 2.16 0.00 0.59 -4.86 105.19 103.81 3kkn n GLY 75 Ca -0.04 0.57 0.04 0.00 0.00 0.00 0.00 46.02 46.59 3kkn n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kkn n GLU 76 N 2.25 0.65 -3.70 1.61 1.02 0.75 -4.96 120.64 118.26 3kkn n GLU 76 Ca 0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.15 3kkn n GLU 76 Cb 0.27 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 29.97 3kkn n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kkn s GLY 77 N -4.77 -0.23 -0.06 0.62 0.00 -1.08 -4.26 107.32 97.53 3kkn s GLY 77 Ca -0.06 0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.08 3kkn s GLY 77 CO 0.85 0.17 -0.09 -1.36 0.00 0.00 0.00 173.10 172.66 3kkn s PHE 78 N -1.76 1.24 -0.34 1.90 0.08 -0.32 -1.36 117.98 117.41 3kkn s PHE 78 Ca -0.10 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.29 3kkn s PHE 78 Cb -0.03 -0.96 -0.00 0.00 -0.57 0.00 0.00 43.02 41.46 3kkn s PHE 78 CO 0.02 -0.28 0.63 -0.51 -0.10 0.00 0.00 175.22 174.99 3kkn s LEU 79 N 0.86 4.23 -0.49 -0.37 1.43 0.05 -1.39 118.68 123.00 3kkn s LEU 79 Ca -0.11 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 3kkn s LEU 79 Cb -0.15 -2.78 0.08 0.00 0.03 0.00 0.00 46.19 43.37 3kkn s LEU 79 CO 0.01 -0.56 0.45 0.00 0.23 0.00 0.00 176.35 176.48 3kkn s VAL 81 N 1.79 4.89 0.33 0.00 1.01 -0.26 -0.54 120.40 127.61 3kkn s VAL 81 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3kkn s VAL 81 Cb -0.25 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3kkn s VAL 81 CO 0.07 0.54 0.11 0.72 0.00 0.00 0.00 175.10 176.54 3kkn s PHE 82 N -0.34 1.73 -0.13 5.22 -0.12 -0.14 -4.18 117.98 120.02 3kkn s PHE 82 Ca 0.09 -1.19 -0.02 0.00 -0.05 0.00 0.00 56.93 55.76 3kkn s PHE 82 Cb -0.12 -1.06 -0.02 0.00 -0.63 0.00 0.00 43.02 41.19 3kkn s PHE 82 CO 0.02 -0.28 -0.08 0.00 -0.05 0.00 0.00 175.22 174.83 3kkn s ALA 83 N -3.46 2.85 -1.09 1.99 0.00 -1.26 -0.57 121.76 120.22 3kkn s ALA 83 Ca 0.33 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.49 3kkn s ALA 83 Cb 0.06 -1.37 0.25 0.00 0.00 0.00 0.00 23.12 22.06 3kkn s ALA 83 CO 0.15 0.29 1.15 0.44 0.00 0.00 0.00 175.76 177.79 3kkn n ILE 84 N 3.31 1.46 -0.73 0.00 -6.64 -0.54 -1.42 119.36 114.79 3kkn n ILE 84 Ca -0.18 0.36 0.08 0.00 -1.77 0.00 0.00 62.75 61.25 3kkn n ILE 84 Cb 0.53 -1.27 0.26 0.00 -1.44 0.00 0.00 39.64 37.72 3kkn n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 3kkn n ASN 85 N -1.45 3.95 -3.45 7.28 6.94 -1.26 -0.28 115.26 126.99 3kkn n ASN 85 Ca 0.02 -2.68 -0.24 0.00 -0.02 0.00 0.00 54.58 51.65 3kkn n ASN 85 Cb 0.06 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 36.88 3kkn n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kkn s ASN 86 N -1.46 2.52 0.23 0.53 3.84 -0.51 -4.72 114.94 115.38 3kkn s ASN 86 Ca 0.40 -1.58 -0.07 0.00 0.21 0.00 0.00 52.86 51.82 3kkn s ASN 86 Cb 0.29 -0.03 0.24 0.00 -0.55 0.00 0.00 41.25 41.21 3kkn s ASN 86 CO 0.13 -0.35 1.89 0.74 -2.79 0.00 0.00 177.10 176.73 3kkn h THR 87 N 5.61 1.18 -0.64 -5.21 2.02 -1.89 -2.42 112.91 111.55 3kkn h THR 87 Ca -0.04 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.79 3kkn h THR 87 Cb 1.02 -0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3kkn h THR 87 CO 0.31 0.21 0.37 0.50 0.37 0.00 0.00 175.52 177.27 3kkn h LYS 88 N 1.14 0.67 -0.52 6.66 1.63 -1.95 0.22 116.57 124.43 3kkn h LYS 88 Ca 0.34 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3kkn h LYS 88 Cb -0.06 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 3kkn h LYS 88 CO -0.10 0.44 0.31 0.66 -3.45 0.00 0.00 179.45 177.31 3kkn h SER 89 N 0.69 0.62 -0.17 4.20 4.64 -1.78 0.18 113.55 121.93 3kkn h SER 89 Ca 0.28 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 3kkn h SER 89 Cb 0.14 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3kkn h SER 89 CO -0.16 0.48 -0.20 0.15 -0.87 0.00 0.00 176.83 176.23 3kkn h PHE 90 N 0.71 0.53 -0.28 4.77 3.04 -1.04 -3.08 116.94 121.59 3kkn h PHE 90 Ca 0.19 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 3kkn h PHE 90 Cb -0.02 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 3kkn h PHE 90 CO 0.00 0.82 0.02 0.93 -2.02 0.00 0.00 178.31 178.07 3kkn h GLU 91 N 0.08 0.42 0.00 1.11 5.08 -0.34 -2.37 114.58 118.56 3kkn h GLU 91 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kkn h GLU 91 Cb 0.75 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kkn h GLU 91 CO 0.05 0.43 0.00 -0.44 -1.00 0.00 0.00 179.01 178.04 3kkn h ASP 92 N 0.41 0.00 -0.65 1.42 3.32 -0.57 -3.25 116.42 117.09 3kkn h ASP 92 Ca 0.09 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.25 3kkn h ASP 92 Cb 0.24 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 3kkn h ASP 92 CO 0.00 0.00 0.25 0.40 -1.72 0.00 0.00 179.24 178.17 3kkn h ILE 93 N 0.00 0.73 -0.94 0.35 1.08 -1.38 -1.08 117.51 116.28 3kkn h ILE 93 Ca 0.00 -0.14 0.18 0.00 -0.39 0.00 0.00 64.86 64.51 3kkn h ILE 93 Cb 0.20 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 34.13 3kkn h ILE 93 CO 0.00 0.08 0.52 0.45 -0.69 0.00 0.00 178.15 178.51 3kkn h HIS 94 N 0.42 0.91 -0.49 1.37 3.86 -1.78 -1.49 115.15 117.96 3kkn h HIS 94 Ca 0.34 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.48 3kkn h HIS 94 Cb 0.45 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3kkn h HIS 94 CO -0.17 0.18 -0.10 1.96 0.86 0.00 0.00 177.93 180.66 3kkn h GLN 95 N 0.67 0.93 -0.80 2.45 1.08 -1.43 -0.80 115.11 117.22 3kkn h GLN 95 Ca 0.54 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 3kkn h GLN 95 Cb 0.84 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 3kkn h GLN 95 CO -0.40 1.01 0.37 1.88 -0.95 0.00 0.00 178.83 180.74 3kkn h TYR 96 N 0.79 1.16 -0.37 2.96 0.05 -1.19 -1.41 116.97 118.97 3kkn h TYR 96 Ca 0.13 -0.06 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 3kkn h TYR 96 Cb 0.65 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3kkn h TYR 96 CO 0.05 0.85 -0.28 -0.09 -1.05 0.00 0.00 178.16 177.64 3kkn h ARG 97 N 1.13 0.77 -0.51 4.88 2.43 -1.11 -1.78 114.38 120.19 3kkn h ARG 97 Ca 0.27 -0.34 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3kkn h ARG 97 Cb 0.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3kkn h ARG 97 CO -0.03 0.95 -0.12 0.93 -1.51 0.00 0.00 179.97 180.20 3kkn h GLU 98 N 0.66 0.96 -0.16 0.20 4.39 -1.03 -1.05 114.58 118.54 3kkn h GLU 98 Ca 0.08 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3kkn h GLU 98 Cb 0.80 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3kkn h GLU 98 CO 0.07 1.01 0.10 0.37 -1.16 0.00 0.00 179.01 179.40 3kkn h GLN 99 N 0.85 0.21 -0.65 2.33 4.15 -1.14 0.12 115.11 120.98 3kkn h GLN 99 Ca 0.13 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3kkn h GLN 99 Cb 0.66 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 3kkn h GLN 99 CO 0.05 0.17 0.36 0.82 -1.93 0.00 0.00 178.83 178.30 3kkn h ILE 100 N 0.19 1.20 -0.52 2.39 2.04 -1.24 -1.65 117.51 119.93 3kkn h ILE 100 Ca 0.06 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 3kkn h ILE 100 Cb 0.01 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3kkn h ILE 100 CO -0.01 0.22 0.00 0.50 0.00 0.00 0.00 178.15 178.86 3kkn h LYS 101 N 0.89 0.88 -0.26 2.37 3.64 -0.96 -0.51 116.57 122.62 3kkn h LYS 101 Ca 0.23 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3kkn h LYS 101 Cb 0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3kkn h LYS 101 CO -0.04 0.88 0.02 -0.09 -2.27 0.00 0.00 179.45 177.95 3kkn h ARG 102 N 0.81 0.45 -0.12 1.90 2.43 -0.52 0.05 114.38 119.39 3kkn h ARG 102 Ca 0.15 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3kkn h ARG 102 Cb 0.49 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3kkn h ARG 102 CO 0.02 0.59 -0.21 0.28 -1.51 0.00 0.00 179.97 179.15 3kkn h VAL 103 N 0.25 1.38 0.00 0.20 2.07 -1.25 -3.29 116.25 115.60 3kkn h VAL 103 Ca 0.08 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3kkn h VAL 103 Cb 0.37 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3kkn h VAL 103 CO 0.01 0.43 -0.40 0.29 0.02 0.00 0.00 177.57 177.91 3kkn n LYS 104 N -4.51 0.01 -3.75 1.57 5.02 -0.21 -4.89 118.16 111.40 3kkn n LYS 104 Ca -0.07 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 3kkn n LYS 104 Cb 0.41 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.94 3kkn n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kkn n ASP 105 N -1.52 -1.90 -3.64 4.39 2.03 0.00 -4.98 116.55 110.94 3kkn n ASP 105 Ca 0.06 -0.91 -0.15 0.00 0.52 0.00 0.00 54.79 54.31 3kkn n ASP 105 Cb 0.34 -3.68 -0.08 0.00 -0.72 0.00 0.00 41.12 36.98 3kkn n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3kkn s SER 106 N -4.16 -0.61 0.00 1.67 0.15 -1.20 -5.03 113.70 104.53 3kkn s SER 106 Ca 0.11 1.01 0.24 0.00 0.70 0.00 0.00 55.95 58.02 3kkn s SER 106 Cb -0.03 1.00 0.38 0.00 -1.71 0.00 0.00 66.02 65.66 3kkn s SER 106 CO 0.84 -0.34 1.33 0.47 1.20 0.00 0.00 173.24 176.74 3kkn n ASP 107 N 2.15 0.58 -2.35 5.45 8.00 -1.26 -4.52 116.55 124.60 3kkn n ASP 107 Ca -0.16 -0.37 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 3kkn n ASP 107 Cb 0.56 0.38 0.01 0.00 -0.02 0.00 0.00 41.12 42.05 3kkn n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kkn n ASP 108 N -1.51 4.64 -4.73 -2.24 -0.08 -1.26 -5.04 116.55 106.34 3kkn n ASP 108 Ca 0.05 -3.68 -0.40 0.00 -1.51 0.00 0.00 54.79 49.25 3kkn n ASP 108 Cb 0.34 -0.43 -0.04 0.00 2.34 0.00 0.00 41.12 43.32 3kkn n ASP 108 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3kkn s VAL 109 N -5.17 4.85 0.10 5.18 1.01 -1.26 -5.00 120.40 120.10 3kkn s VAL 109 Ca 0.48 1.70 -0.31 0.00 0.00 0.00 0.00 61.98 63.85 3kkn s VAL 109 Cb 0.40 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3kkn s VAL 109 CO -0.11 0.28 1.88 -2.84 0.00 0.00 0.00 175.10 174.30 3kkn s PRO 110 N 0.48 4.14 0.07 2.72 0.02 -1.26 -4.95 135.00 136.22 3kkn s PRO 110 Ca 0.42 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 63.96 3kkn s PRO 110 Cb -0.20 -3.78 -0.00 0.00 0.02 0.00 0.00 34.50 30.54 3kkn s PRO 110 CO 0.23 -0.88 0.18 -1.64 -0.33 0.00 0.00 177.00 174.55 3kkn s MET 111 N 3.31 0.79 -0.06 5.54 -1.94 -1.26 -1.17 119.30 124.51 3kkn s MET 111 Ca 0.84 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.94 3kkn s MET 111 Cb -0.45 0.32 0.01 0.00 2.01 0.00 0.00 34.83 36.73 3kkn s MET 111 CO 0.38 -0.24 -0.10 0.08 -0.01 0.00 0.00 175.02 175.13 3kkn s VAL 112 N -3.54 0.97 -0.08 -6.03 1.01 -0.49 -4.29 120.40 107.95 3kkn s VAL 112 Ca 0.03 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 3kkn s VAL 112 Cb 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3kkn s VAL 112 CO -0.09 0.32 0.90 -0.22 0.00 0.00 0.00 175.10 176.01 3kkn s LEU 113 N 0.70 4.28 -0.17 3.92 2.96 -0.45 -0.75 118.68 129.18 3kkn s LEU 113 Ca -0.13 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3kkn s LEU 113 Cb -0.15 -3.41 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3kkn s LEU 113 CO 0.03 -0.32 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.88 3kkn s VAL 114 N 1.49 1.86 -0.57 1.68 1.01 0.30 -1.32 120.40 124.86 3kkn s VAL 114 Ca 0.45 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3kkn s VAL 114 Cb -0.19 -1.71 0.12 0.00 0.00 0.00 0.00 36.38 34.60 3kkn s VAL 114 CO 0.20 0.49 0.60 -0.83 0.00 0.00 0.00 175.10 175.56 3kkn s GLY 115 N 1.37 1.97 0.63 4.51 0.00 -0.64 -0.97 107.32 114.19 3kkn s GLY 115 Ca 0.05 -2.43 -0.03 0.00 0.00 0.00 0.00 44.72 42.31 3kkn s GLY 115 CO -0.12 1.37 0.90 0.21 0.00 0.00 0.00 173.10 175.46 3kkn s ASN 116 N 3.58 5.00 -1.06 1.64 2.47 0.26 -1.28 114.94 125.55 3kkn s ASN 116 Ca 0.07 0.19 -0.02 0.00 0.42 0.00 0.00 52.86 53.52 3kkn s ASN 116 Cb -0.27 -0.94 0.00 0.00 -1.45 0.00 0.00 41.25 38.60 3kkn s ASN 116 CO 0.04 -1.40 0.25 0.29 -3.72 0.00 0.00 177.10 172.56 3kkn n LYS 117 N -2.64 -2.41 0.00 0.43 5.02 -0.71 -1.46 118.16 116.38 3kkn n LYS 117 Ca 0.08 0.61 0.09 0.00 -2.02 0.00 0.00 58.31 57.08 3kkn n LYS 117 Cb 0.60 -4.83 0.50 0.00 -0.02 0.00 0.00 35.03 31.29 3kkn n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kkn h ASP 119 N 0.00 0.00 -3.37 0.00 2.03 -1.91 -3.46 116.42 109.71 3kkn h ASP 119 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3kkn h ASP 119 Cb 0.14 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.60 3kkn h ASP 119 CO 0.00 0.00 0.07 -0.76 -1.03 0.00 0.00 179.24 177.52 3kkn s LEU 120 N -5.54 4.46 0.24 0.15 1.43 -0.77 -4.99 118.68 113.66 3kkn s LEU 120 Ca 0.03 1.33 0.11 0.00 -1.03 0.00 0.00 54.13 54.57 3kkn s LEU 120 Cb 0.09 -3.08 0.21 0.00 0.03 0.00 0.00 46.19 43.44 3kkn s LEU 120 CO 0.52 0.10 1.52 0.00 0.23 0.00 0.00 176.35 178.71 3kkn h ALA 121 N 5.41 0.77 0.00 4.21 0.00 -1.89 -3.38 119.26 124.39 3kkn h ALA 121 Ca -0.45 -0.63 -0.63 0.00 0.00 0.00 0.00 54.91 53.20 3kkn h ALA 121 Cb 1.20 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.91 3kkn h ALA 121 CO 0.69 0.87 3.65 0.00 0.00 0.00 0.00 179.25 184.46 3kkn n ALA 122 N -2.37 7.27 -2.30 0.00 0.00 -1.26 -4.93 120.51 116.91 3kkn n ALA 122 Ca -0.00 -3.34 -0.41 0.00 0.00 0.00 0.00 53.44 49.69 3kkn n ALA 122 Cb 0.71 -3.32 -0.04 0.00 0.00 0.00 0.00 19.45 16.80 3kkn n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kkn s ARG 123 N 2.27 4.62 -0.00 0.00 3.52 -1.26 -4.48 118.95 123.62 3kkn s ARG 123 Ca 0.67 1.56 0.04 0.00 -0.13 0.00 0.00 55.73 57.87 3kkn s ARG 123 Cb 0.17 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.15 3kkn s ARG 123 CO -0.06 0.08 0.16 0.25 -0.81 0.00 0.00 175.30 174.92 3kkn n THR 124 N 2.99 0.00 -3.93 4.11 -2.24 0.62 -4.93 114.28 110.90 3kkn n THR 124 Ca 0.04 -0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 3kkn n THR 124 Cb 0.48 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 69.35 3kkn n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kkn s VAL 125 N -1.75 3.01 0.45 2.28 1.01 -0.68 -4.87 120.40 119.85 3kkn s VAL 125 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 3kkn s VAL 125 Cb 0.03 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 3kkn s VAL 125 CO 0.19 0.12 1.10 -1.61 0.00 0.00 0.00 175.10 174.89 3kkn s GLU 126 N 1.32 3.85 0.28 2.72 0.41 -1.26 -4.92 118.70 121.10 3kkn s GLU 126 Ca -0.01 1.59 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 3kkn s GLU 126 Cb -0.17 -2.34 0.52 0.00 -1.78 0.00 0.00 34.13 30.35 3kkn s GLU 126 CO -0.03 -0.43 1.84 0.77 -0.49 0.00 0.00 175.26 176.92 3kkn h SER 127 N 2.00 0.91 -0.33 -0.19 0.02 -1.99 -2.13 113.55 111.83 3kkn h SER 127 Ca -0.49 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 3kkn h SER 127 Cb 1.23 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 3kkn h SER 127 CO 0.60 0.50 0.10 0.08 -1.14 0.00 0.00 176.83 176.97 3kkn h ARG 128 N 0.99 0.61 -0.39 3.45 0.11 -1.98 0.18 114.38 117.34 3kkn h ARG 128 Ca 0.48 -0.11 -0.04 0.00 0.10 0.00 0.00 59.98 60.42 3kkn h ARG 128 Cb 0.44 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 3kkn h ARG 128 CO -0.25 0.56 0.10 1.96 0.10 0.00 0.00 179.97 182.43 3kkn h GLN 129 N 0.59 0.62 -0.16 0.08 4.20 -1.77 -0.87 115.11 117.79 3kkn h GLN 129 Ca 0.14 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 3kkn h GLN 129 Cb 0.23 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3kkn h GLN 129 CO -0.00 0.65 -0.62 0.00 -0.67 0.00 0.00 178.83 178.18 3kkn h ALA 130 N 0.94 0.60 -0.64 3.87 0.00 -1.14 -1.53 119.26 121.37 3kkn h ALA 130 Ca 0.12 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3kkn h ALA 130 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kkn h ALA 130 CO 0.00 0.71 0.42 1.96 0.00 0.00 0.00 179.25 182.34 3kkn h GLN 131 N 0.42 0.83 -0.23 0.00 4.20 -0.61 0.15 115.11 119.87 3kkn h GLN 131 Ca -0.01 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.67 3kkn h GLN 131 Cb 1.19 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3kkn h GLN 131 CO 0.12 0.55 0.10 -0.44 -0.67 0.00 0.00 178.83 178.49 3kkn h ASP 132 N 0.86 0.15 -0.21 1.46 3.32 -1.02 0.21 116.42 121.18 3kkn h ASP 132 Ca 0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3kkn h ASP 132 Cb -0.08 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kkn h ASP 132 CO -0.06 0.12 0.13 0.25 -1.72 0.00 0.00 179.24 177.96 3kkn h LEU 133 N 0.23 0.25 -0.51 1.55 5.85 -0.90 -1.47 115.31 120.30 3kkn h LEU 133 Ca 0.10 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3kkn h LEU 133 Cb 0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3kkn h LEU 133 CO -0.07 0.21 0.28 0.00 -0.34 0.00 0.00 178.44 178.52 3kkn h ALA 134 N 1.05 0.65 -0.82 1.25 0.00 -0.52 -2.22 119.26 118.66 3kkn h ALA 134 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3kkn h ALA 134 Cb -0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 3kkn h ALA 134 CO -0.02 -0.04 0.40 -0.09 0.00 0.00 0.00 179.25 179.51 3kkn h ARG 135 N 0.56 0.57 0.00 0.00 2.43 -0.34 -0.30 114.38 117.29 3kkn h ARG 135 Ca 0.21 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3kkn h ARG 135 Cb 0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kkn h ARG 135 CO -0.12 0.37 -0.41 0.66 -1.51 0.00 0.00 179.97 178.97 3kkn h SER 136 N 0.58 0.00 0.88 -3.80 4.64 -0.70 -2.34 113.55 112.82 3kkn h SER 136 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3kkn h SER 136 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3kkn h SER 136 CO -0.36 0.41 -0.39 -1.22 -0.87 0.00 0.00 176.83 174.39 3kkn n TYR 137 N -3.90 0.37 -2.92 4.77 4.01 -0.73 -4.96 117.16 113.80 3kkn n TYR 137 Ca -0.01 0.11 -0.14 0.00 -0.16 0.00 0.00 57.90 57.70 3kkn n TYR 137 Cb 0.46 -0.56 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3kkn n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kkn n GLY 138 N 1.41 0.03 3.33 2.72 0.00 -0.24 -5.05 105.19 107.39 3kkn n GLY 138 Ca 0.05 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 3kkn n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kkn s ILE 139 N -3.05 1.60 0.59 -0.61 -4.36 -0.53 -5.02 121.20 109.82 3kkn s ILE 139 Ca 0.26 -2.17 -0.19 0.00 -0.26 0.00 0.00 60.65 58.29 3kkn s ILE 139 Cb -0.11 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 3kkn s ILE 139 CO 0.32 -0.59 1.18 -2.84 0.24 0.00 0.00 174.94 173.25 3kkn s PRO 140 N -3.68 3.04 -0.10 0.37 0.02 -1.26 -4.24 135.00 129.15 3kkn s PRO 140 Ca 0.22 1.75 0.04 0.00 0.02 0.00 0.00 61.00 63.03 3kkn s PRO 140 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3kkn s PRO 140 CO 0.06 -1.14 -0.23 -0.47 -0.33 0.00 0.00 177.00 174.89 3kkn s TYR 141 N -1.69 2.49 -0.02 6.54 5.04 -1.26 -1.34 117.35 127.11 3kkn s TYR 141 Ca 0.76 -1.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 3kkn s TYR 141 Cb -0.28 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.37 3kkn s TYR 141 CO 0.32 -0.40 -0.03 0.42 -1.34 0.00 0.00 175.55 174.52 3kkn s ILE 142 N 0.34 0.34 -0.02 3.14 1.01 -0.44 -4.99 121.20 120.58 3kkn s ILE 142 Ca -0.18 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 3kkn s ILE 142 Cb -0.18 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 3kkn s ILE 142 CO 0.09 0.15 0.42 -1.61 0.00 0.00 0.00 174.94 173.98 3kkn s GLU 143 N 0.56 4.01 0.11 2.79 2.02 -1.26 -1.62 118.70 125.32 3kkn s GLU 143 Ca -0.06 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.38 3kkn s GLU 143 Cb -0.09 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 3kkn s GLU 143 CO -0.01 0.59 -0.09 0.95 0.02 0.00 0.00 175.26 176.72 3kkn s THR 144 N -0.75 0.95 -0.11 3.63 -4.23 -0.41 -4.37 115.64 110.36 3kkn s THR 144 Ca 0.24 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 58.90 3kkn s THR 144 Cb -0.16 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.10 3kkn s THR 144 CO 0.13 -0.70 -0.08 -0.55 -0.54 0.00 0.00 174.62 172.88 3kkn s SER 145 N -2.83 2.15 0.46 3.99 0.15 -0.21 -1.48 113.70 115.93 3kkn s SER 145 Ca 0.11 -0.31 0.29 0.00 0.70 0.00 0.00 55.95 56.74 3kkn s SER 145 Cb 0.01 -0.85 1.03 0.00 -1.71 0.00 0.00 66.02 64.50 3kkn s SER 145 CO -0.01 -0.10 1.84 0.00 1.20 0.00 0.00 173.24 176.17 3kkn h ALA 146 N 8.06 1.00 0.01 5.45 0.00 -1.91 0.48 119.26 132.35 3kkn h ALA 146 Ca -0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3kkn h ALA 146 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kkn h ALA 146 CO 0.42 0.00 -0.12 0.87 0.00 0.00 0.00 179.25 180.42 3kkn h LYS 147 N 0.00 0.07 0.00 0.00 1.79 -1.95 -3.36 116.57 113.12 3kkn h LYS 147 Ca 0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3kkn h LYS 147 Cb 0.62 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3kkn h LYS 147 CO 0.00 0.92 -0.64 1.79 -1.08 0.00 0.00 179.45 180.43 3kkn h THR 148 N -0.75 0.00 0.00 -0.16 1.35 -1.98 -3.48 112.91 107.89 3kkn h THR 148 Ca -0.02 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3kkn h THR 148 Cb 0.97 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3kkn h THR 148 CO 0.02 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.83 3kkn n ARG 149 N -2.34 0.00 -1.67 4.72 1.74 0.15 -5.01 116.66 114.25 3kkn n ARG 149 Ca 0.03 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.61 3kkn n ARG 149 Cb 0.47 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3kkn n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3kkn n GLN 150 N -2.00 1.85 -0.50 5.56 7.27 -1.18 -2.38 117.38 125.99 3kkn n GLN 150 Ca 0.00 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3kkn n GLN 150 Cb 0.00 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.22 3kkn n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kkn n GLY 151 N 3.74 1.51 0.23 1.69 0.00 -1.26 -1.05 105.19 110.05 3kkn n GLY 151 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3kkn n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kkn h VAL 152 N 0.00 0.59 -0.65 1.61 2.07 -1.77 -0.11 116.25 118.00 3kkn h VAL 152 Ca 0.00 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3kkn h VAL 152 Cb 0.00 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3kkn h VAL 152 CO 0.00 0.08 0.43 -0.33 0.02 0.00 0.00 177.57 177.77 3kkn h GLU 153 N -0.78 0.85 -0.80 1.57 5.08 -1.91 -2.66 114.58 115.93 3kkn h GLU 153 Ca -0.05 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3kkn h GLU 153 Cb 0.52 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 3kkn h GLU 153 CO 0.09 0.56 0.45 0.22 -1.00 0.00 0.00 179.01 179.33 3kkn h ASP 154 N 0.87 0.64 -0.08 1.42 3.58 -1.92 0.56 116.42 121.50 3kkn h ASP 154 Ca 0.24 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 3kkn h ASP 154 Cb -0.10 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 3kkn h ASP 154 CO -0.05 0.37 0.04 0.00 -2.88 0.00 0.00 179.24 176.71 3kkn h ALA 155 N 1.45 0.10 -0.40 -0.78 0.00 -0.67 0.76 119.26 119.73 3kkn h ALA 155 Ca 0.39 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3kkn h ALA 155 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kkn h ALA 155 CO -0.25 -0.34 -0.04 0.74 0.00 0.00 0.00 179.25 179.37 3kkn h PHE 156 N 0.01 0.80 -0.01 0.00 -1.00 -1.32 -2.45 116.94 112.97 3kkn h PHE 156 Ca 0.03 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.53 3kkn h PHE 156 Cb 0.11 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 3kkn h PHE 156 CO -0.03 0.82 -0.60 1.88 -1.61 0.00 0.00 178.31 178.77 3kkn h TYR 157 N 0.54 0.03 -0.64 -0.55 0.05 -0.82 -1.86 116.97 113.73 3kkn h TYR 157 Ca 0.11 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 3kkn h TYR 157 Cb 0.53 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 3kkn h TYR 157 CO 0.04 0.62 0.16 1.15 -1.05 0.00 0.00 178.16 179.08 3kkn h THR 158 N 0.02 1.25 -0.38 -2.88 2.02 -0.83 -1.81 112.91 110.30 3kkn h THR 158 Ca -0.01 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 3kkn h THR 158 Cb 1.06 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3kkn h THR 158 CO 0.08 0.35 0.23 0.25 0.37 0.00 0.00 175.52 176.79 3kkn h LEU 159 N 0.94 0.47 -0.59 2.58 5.85 -1.11 -0.26 115.31 123.17 3kkn h LEU 159 Ca 0.20 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3kkn h LEU 159 Cb 0.35 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3kkn h LEU 159 CO 0.00 0.39 0.29 0.58 -0.34 0.00 0.00 178.44 179.37 3kkn h VAL 160 N 0.50 0.91 -0.62 1.05 2.07 -1.17 -1.05 116.25 117.95 3kkn h VAL 160 Ca 0.14 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kkn h VAL 160 Cb 0.02 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3kkn h VAL 160 CO -0.02 0.10 0.24 0.03 0.02 0.00 0.00 177.57 177.93 3kkn h ARG 161 N 0.54 0.90 -0.26 1.57 3.08 -0.99 -0.99 114.38 118.23 3kkn h ARG 161 Ca 0.27 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3kkn h ARG 161 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3kkn h ARG 161 CO -0.20 0.74 0.15 0.93 -1.07 0.00 0.00 179.97 180.52 3kkn h GLU 162 N 0.89 0.35 -0.23 0.04 4.39 -0.17 -1.47 114.58 118.38 3kkn h GLU 162 Ca 0.21 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.93 3kkn h GLU 162 Cb 0.18 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 3kkn h GLU 162 CO -0.02 0.28 -0.10 0.82 -1.16 0.00 0.00 179.01 178.83 3kkn h ILE 163 N 0.32 0.67 -0.65 3.13 2.04 -0.76 -2.45 117.51 119.81 3kkn h ILE 163 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3kkn h ILE 163 Cb 0.02 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3kkn h ILE 163 CO -0.02 0.00 0.25 0.03 0.00 0.00 0.00 178.15 178.41 3kkn h ARG 164 N -0.07 0.41 -0.15 2.37 3.08 -1.02 -1.82 114.38 117.19 3kkn h ARG 164 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kkn h ARG 164 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kkn h ARG 164 CO -0.27 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3kkn n GLN 165 N -5.00 1.42 0.00 0.04 -0.00 -0.57 -5.10 117.38 108.17 3kkn n GLN 165 Ca 0.10 -0.65 0.15 0.00 -0.00 0.00 0.00 57.00 56.60 3kkn n GLN 165 Cb 0.31 -1.24 0.72 0.00 -0.00 0.00 0.00 30.24 30.03 3kkn n GLN 165 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64