#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kqn s ILE 2 N 0.00 4.99 0.13 2.12 1.01 -1.26 -4.79 121.20 123.40 2kqn s ILE 2 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 2kqn s ILE 2 Cb 0.00 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 2kqn s ILE 2 CO 0.00 -0.32 0.64 -1.10 0.00 0.00 0.00 174.94 174.15 2kqn s GLN 3 N 1.62 4.26 -0.17 2.79 -1.52 -1.26 -4.14 119.66 121.23 2kqn s GLN 3 Ca 0.04 0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 54.26 2kqn s GLN 3 Cb -0.20 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.45 2kqn s GLN 3 CO 0.08 0.57 -0.15 -1.64 -0.25 0.00 0.00 175.29 173.90 2kqn s MET 4 N -1.36 3.17 -0.21 2.91 -1.94 -1.26 0.63 119.30 121.24 2kqn s MET 4 Ca 0.34 -0.75 -0.06 0.00 -1.71 0.00 0.00 55.69 53.50 2kqn s MET 4 Cb -0.19 -2.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 2kqn s MET 4 CO 0.21 -0.10 0.04 0.99 -0.01 0.00 0.00 175.02 176.15 2kqn s THR 5 N 1.09 4.30 -0.11 2.05 2.01 0.12 -3.90 115.64 121.20 2kqn s THR 5 Ca -0.00 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 2kqn s THR 5 Cb -0.14 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 2kqn s THR 5 CO -0.05 0.40 -0.10 -1.58 -0.69 0.00 0.00 174.62 172.61 2kqn s GLN 6 N 1.05 3.15 0.03 4.92 0.74 -1.26 0.48 119.66 128.77 2kqn s GLN 6 Ca 0.03 -0.62 0.05 0.00 0.05 0.00 0.00 55.36 54.87 2kqn s GLN 6 Cb -0.14 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 2kqn s GLN 6 CO 0.03 0.39 -0.14 -1.12 -0.55 0.00 0.00 175.29 173.90 2kqn s SER 7 N -0.09 1.67 0.55 6.67 0.01 0.87 -4.05 113.70 119.33 2kqn s SER 7 Ca -0.00 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2kqn s SER 7 Cb -0.14 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2kqn s SER 7 CO 0.03 0.05 0.00 -0.81 0.41 0.00 0.00 173.24 172.92 2kqn n PRO 8 N 2.00 0.56 0.09 12.44 -0.04 -1.26 -0.83 135.00 147.96 2kqn n PRO 8 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 2kqn n PRO 8 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 2kqn n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kqn h SER 9 N 0.00 0.47 -3.51 3.54 0.87 -1.81 -3.25 113.55 109.86 2kqn h SER 9 Ca 0.00 -0.45 0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2kqn h SER 9 Cb 0.00 -0.15 -0.25 0.00 -0.44 0.00 0.00 62.40 61.56 2kqn h SER 9 CO 0.00 1.30 0.38 -0.94 -0.53 0.00 0.00 176.83 177.04 2kqn s SER 10 N -7.13 -0.52 -0.08 6.23 1.04 -1.26 -1.56 113.70 110.42 2kqn s SER 10 Ca -0.05 0.96 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 2kqn s SER 10 Cb 0.08 0.96 0.04 0.00 0.10 0.00 0.00 66.02 67.20 2kqn s SER 10 CO 0.88 -0.20 0.44 -1.48 0.98 0.00 0.00 173.24 173.86 2kqn s LEU 11 N 0.11 0.31 -0.06 2.42 2.34 -0.63 -4.92 118.68 118.25 2kqn s LEU 11 Ca 0.02 0.52 0.03 0.00 0.06 0.00 0.00 54.13 54.75 2kqn s LEU 11 Cb -0.04 1.65 -0.03 0.00 -0.56 0.00 0.00 46.19 47.21 2kqn s LEU 11 CO -0.03 -0.38 -0.13 -0.44 -1.06 0.00 0.00 176.35 174.31 2kqn s SER 12 N -0.73 4.16 -0.04 1.48 0.01 -1.26 -1.91 113.70 115.40 2kqn s SER 12 Ca -0.08 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 2kqn s SER 12 Cb -0.03 -1.00 0.01 0.00 0.21 0.00 0.00 66.02 65.21 2kqn s SER 12 CO 0.04 0.33 0.11 0.00 0.41 0.00 0.00 173.24 174.13 2kqn s ALA 13 N -0.63 -0.27 0.33 1.44 0.00 0.14 -4.78 121.76 117.99 2kqn s ALA 13 Ca 0.09 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2kqn s ALA 13 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2kqn s ALA 13 CO 0.01 -0.05 0.51 0.45 0.00 0.00 0.00 175.76 176.67 2kqn s SER 14 N 0.07 6.20 -0.37 0.00 0.15 -1.26 -3.58 113.70 114.91 2kqn s SER 14 Ca -0.00 0.25 -0.43 0.00 0.70 0.00 0.00 55.95 56.47 2kqn s SER 14 Cb -0.01 -1.82 -0.17 0.00 -1.71 0.00 0.00 66.02 62.30 2kqn s SER 14 CO 0.00 -0.31 1.70 0.52 1.20 0.00 0.00 173.24 176.36 2kqn n VAL 15 N -1.71 0.19 0.00 4.45 0.31 -1.26 -0.52 118.33 119.79 2kqn n VAL 15 Ca -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2kqn n VAL 15 Cb 0.57 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2kqn n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kqn n GLY 16 N 4.21 1.11 3.90 2.92 0.00 0.57 -4.90 105.19 112.99 2kqn n GLY 16 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 2kqn n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kqn s ASP 17 N -1.81 6.38 -0.20 1.61 2.15 0.32 -4.59 116.67 120.53 2kqn s ASP 17 Ca 0.00 0.92 -0.07 0.00 0.43 0.00 0.00 52.55 53.83 2kqn s ASP 17 Cb 0.00 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.34 2kqn s ASP 17 CO 0.00 -0.43 0.06 -0.60 -0.17 0.00 0.00 175.17 174.03 2kqn s ARG 18 N -4.22 3.87 -0.04 4.34 3.52 -1.26 -1.18 118.95 123.98 2kqn s ARG 18 Ca 0.47 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 2kqn s ARG 18 Cb -0.10 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 2kqn s ARG 18 CO 0.37 0.14 -0.10 0.08 -0.81 0.00 0.00 175.30 174.99 2kqn s VAL 19 N 0.71 3.41 -0.15 7.11 1.01 -0.64 -4.96 120.40 126.90 2kqn s VAL 19 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2kqn s VAL 19 Cb -0.13 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2kqn s VAL 19 CO 0.02 0.55 -0.14 -0.89 0.00 0.00 0.00 175.10 174.64 2kqn s THR 20 N -0.82 1.57 0.08 3.92 2.01 -1.26 -0.61 115.64 120.54 2kqn s THR 20 Ca 0.13 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.58 2kqn s THR 20 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2kqn s THR 20 CO 0.02 0.46 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.58 2kqn s ILE 21 N 1.49 2.67 -0.04 1.82 1.01 0.20 -4.73 121.20 123.62 2kqn s ILE 21 Ca 0.05 -1.40 0.03 0.00 0.00 0.00 0.00 60.65 59.34 2kqn s ILE 21 Cb -0.13 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2kqn s ILE 21 CO -0.11 0.22 -0.14 -0.89 0.00 0.00 0.00 174.94 174.03 2kqn s THR 22 N -1.01 1.16 -0.09 2.92 2.01 -0.01 0.03 115.64 120.66 2kqn s THR 22 Ca 0.15 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.63 2kqn s THR 22 Cb -0.10 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2kqn s THR 22 CO 0.07 0.34 -0.21 0.00 -0.69 0.00 0.00 174.62 174.13 2kqn s GLN 24 N 0.08 2.42 -0.02 0.00 -0.21 0.18 -0.74 119.66 121.36 2kqn s GLN 24 Ca -0.09 -0.69 -0.14 0.00 0.02 0.00 0.00 55.36 54.46 2kqn s GLN 24 Cb -0.15 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 2kqn s GLN 24 CO 0.06 0.15 0.37 0.00 -2.12 0.00 0.00 175.29 173.75 2kqn s ALA 25 N 0.38 3.72 0.29 6.09 0.00 0.06 0.10 121.76 132.42 2kqn s ALA 25 Ca -0.15 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.62 2kqn s ALA 25 Cb -0.16 -2.33 0.45 0.00 0.00 0.00 0.00 23.12 21.07 2kqn s ALA 25 CO 0.06 0.50 1.69 1.03 0.00 0.00 0.00 175.76 179.03 2kqn h SER 26 N 4.75 0.19 -4.93 0.00 0.87 -0.14 -3.44 113.55 110.86 2kqn h SER 26 Ca -0.52 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 59.76 2kqn h SER 26 Cb 1.22 -0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 62.94 2kqn h SER 26 CO 0.61 0.62 -0.70 -1.58 -0.53 0.00 0.00 176.83 175.25 2kqn s GLN 27 N -4.03 0.54 0.31 2.24 0.74 -1.26 -4.93 119.66 113.26 2kqn s GLN 27 Ca -0.04 -0.93 -0.29 0.00 0.05 0.00 0.00 55.36 54.15 2kqn s GLN 27 Cb 0.13 -0.02 -0.10 0.00 1.10 0.00 0.00 33.01 34.12 2kqn s GLN 27 CO 0.77 -0.03 1.19 0.34 -0.55 0.00 0.00 175.29 177.00 2kqn s ASP 28 N -2.15 7.03 -0.09 6.67 -1.08 -1.26 -4.76 116.67 121.03 2kqn s ASP 28 Ca -0.04 2.45 0.13 0.00 -0.52 0.00 0.00 52.55 54.57 2kqn s ASP 28 Cb -0.03 -2.64 0.22 0.00 -1.46 0.00 0.00 42.92 39.02 2kqn s ASP 28 CO -0.04 -0.33 1.11 2.30 0.52 0.00 0.00 175.17 178.74 2kqn n ILE 29 N 0.98 1.30 0.00 4.11 -5.35 -1.25 -4.98 119.36 114.16 2kqn n ILE 29 Ca -0.00 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 2kqn n ILE 29 Cb 0.44 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2kqn n ILE 29 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kqn n ASN 30 N -0.92 0.00 -0.22 7.28 3.02 -1.26 -0.90 115.26 122.26 2kqn n ASN 30 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2kqn n ASN 30 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kqn n ASN 31 N 1.94 0.00 -4.54 6.41 6.94 -1.26 -0.36 115.26 124.39 2kqn n ASN 31 Ca 0.00 -0.84 -0.43 0.00 -0.02 0.00 0.00 54.58 53.29 2kqn n ASN 31 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2kqn n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kqn s TYR 32 N 0.00 2.92 0.03 -2.53 2.02 -0.08 -3.34 117.35 116.38 2kqn s TYR 32 Ca 0.00 -1.59 0.05 0.00 -0.37 0.00 0.00 57.07 55.16 2kqn s TYR 32 Cb 0.00 -4.62 -0.02 0.00 -0.40 0.00 0.00 41.96 36.92 2kqn s TYR 32 CO 0.00 -1.72 -0.15 -1.17 -1.57 0.00 0.00 175.55 170.94 2kqn s LEU 33 N 3.67 2.16 -0.06 -1.29 2.96 -1.26 -2.90 118.68 121.96 2kqn s LEU 33 Ca 0.49 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 2kqn s LEU 33 Cb 0.01 -0.65 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 2kqn s LEU 33 CO 0.02 0.06 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.28 2kqn s ILE 34 N -0.80 1.70 -0.10 6.68 1.01 0.13 -1.06 121.20 128.76 2kqn s ILE 34 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 2kqn s ILE 34 Cb -0.08 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2kqn s ILE 34 CO 0.01 0.48 -0.02 0.26 0.00 0.00 0.00 174.94 175.67 2kqn s TRP 35 N 0.06 3.07 0.25 3.97 0.52 0.16 -0.13 118.94 126.85 2kqn s TRP 35 Ca -0.07 0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.15 2kqn s TRP 35 Cb -0.13 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 2kqn s TRP 35 CO 0.04 0.30 -0.10 0.71 0.02 0.00 0.00 176.95 177.92 2kqn s TYR 36 N -0.52 1.88 -0.16 -1.98 2.02 0.11 0.11 117.35 118.81 2kqn s TYR 36 Ca 0.08 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 2kqn s TYR 36 Cb -0.12 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 2kqn s TYR 36 CO 0.02 0.34 -0.15 -1.14 -1.57 0.00 0.00 175.55 173.05 2kqn s GLN 37 N -3.68 2.47 -0.54 -0.62 0.74 0.07 -2.49 119.66 115.62 2kqn s GLN 37 Ca 0.27 -0.66 -0.18 0.00 0.05 0.00 0.00 55.36 54.84 2kqn s GLN 37 Cb 0.01 -2.27 0.09 0.00 1.10 0.00 0.00 33.01 31.94 2kqn s GLN 37 CO 0.10 -0.25 0.60 -1.14 -0.55 0.00 0.00 175.29 174.06 2kqn s GLN 38 N 1.42 3.05 -0.29 1.67 -0.44 0.11 -0.67 119.66 124.51 2kqn s GLN 38 Ca 0.04 -1.23 -0.12 0.00 -2.50 0.00 0.00 55.36 51.56 2kqn s GLN 38 Cb -0.13 -4.19 -0.04 0.00 -1.64 0.00 0.00 33.01 27.01 2kqn s GLN 38 CO -0.11 -1.32 0.22 0.21 0.50 0.00 0.00 175.29 174.78 2kqn s LYS 39 N 2.36 3.84 -0.21 1.67 2.20 -1.26 -2.26 119.74 126.08 2kqn s LYS 39 Ca 0.10 -0.37 -0.39 0.00 -0.36 0.00 0.00 55.97 54.95 2kqn s LYS 39 Cb -0.23 -3.70 -0.16 0.00 -1.51 0.00 0.00 37.83 32.23 2kqn s LYS 39 CO 0.08 -0.26 1.68 -2.30 -0.36 0.00 0.00 175.35 174.20 2kqn n PRO 40 N 5.10 1.21 0.00 4.03 -0.02 -1.26 -2.02 135.00 142.04 2kqn n PRO 40 Ca -0.13 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2kqn n PRO 40 Cb 0.51 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2kqn n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kqn n GLY 41 N 3.93 1.11 3.36 -1.23 0.00 -1.26 -5.07 105.19 106.02 2kqn n GLY 41 Ca 0.25 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2kqn n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kqn s GLN 42 N 0.00 1.42 0.80 1.61 -2.07 -0.86 -5.14 119.66 115.42 2kqn s GLN 42 Ca 0.00 -1.74 -0.12 0.00 -1.82 0.00 0.00 55.36 51.68 2kqn s GLN 42 Cb 0.00 -0.66 0.08 0.00 -1.09 0.00 0.00 33.01 31.33 2kqn s GLN 42 CO 0.00 -0.13 1.15 0.00 -1.32 0.00 0.00 175.29 174.99 2kqn s ALA 43 N -3.40 1.95 0.36 2.60 0.00 -1.26 -4.42 121.76 117.58 2kqn s ALA 43 Ca 0.31 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 2kqn s ALA 43 Cb 0.06 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 2kqn s ALA 43 CO 0.11 -2.11 1.52 -1.25 0.00 0.00 0.00 175.76 174.02 2kqn s PRO 44 N -4.45 4.10 -0.15 0.00 0.04 -1.26 -4.59 135.00 128.69 2kqn s PRO 44 Ca 0.67 2.58 -0.05 0.00 0.04 0.00 0.00 61.00 64.25 2kqn s PRO 44 Cb -0.23 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2kqn s PRO 44 CO 0.52 -0.57 0.00 0.21 0.04 0.00 0.00 177.00 177.21 2kqn s LYS 45 N -1.72 3.69 0.13 4.56 2.47 0.15 -4.92 119.74 124.10 2kqn s LYS 45 Ca 0.55 -0.44 -0.31 0.00 -1.56 0.00 0.00 55.97 54.21 2kqn s LYS 45 Cb -0.47 -3.01 -0.10 0.00 -1.46 0.00 0.00 37.83 32.80 2kqn s LYS 45 CO 0.60 0.32 1.65 -1.17 0.16 0.00 0.00 175.35 176.91 2kqn s LEU 46 N 0.18 4.37 -0.13 5.43 0.20 -1.26 -0.75 118.68 126.73 2kqn s LEU 46 Ca 0.01 2.60 -0.05 0.00 0.69 0.00 0.00 54.13 57.38 2kqn s LEU 46 Cb -0.13 -3.58 -0.06 0.00 -0.43 0.00 0.00 46.19 41.99 2kqn s LEU 46 CO 0.02 -0.88 -0.16 -0.11 -0.29 0.00 0.00 176.35 174.93 2kqn n LEU 47 N 4.83 1.16 -4.04 -0.68 7.94 0.12 -4.90 117.00 121.43 2kqn n LEU 47 Ca 0.15 0.13 -0.16 0.00 -1.11 0.00 0.00 56.01 55.02 2kqn n LEU 47 Cb 0.39 -0.38 -0.13 0.00 0.53 0.00 0.00 43.42 43.83 2kqn n LEU 47 CO 0.63 0.32 -0.42 -0.63 -1.11 0.00 0.00 177.39 176.18 2kqn s ILE 48 N -2.23 0.61 0.05 1.96 1.01 -0.81 -2.62 121.20 119.18 2kqn s ILE 48 Ca -0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2kqn s ILE 48 Cb 0.06 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2kqn s ILE 48 CO 0.23 -0.08 -0.03 -0.72 0.00 0.00 0.00 174.94 174.33 2kqn s TYR 49 N -0.74 0.50 0.00 3.97 -0.85 -0.44 0.40 117.35 120.20 2kqn s TYR 49 Ca -0.02 -0.95 0.00 0.00 -0.52 0.00 0.00 57.07 55.58 2kqn s TYR 49 Cb -0.06 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.92 2kqn s TYR 49 CO 0.00 -0.32 0.00 -3.47 -1.52 0.00 0.00 175.55 170.24 2kqn n ASP 50 N 0.40 -2.80 0.00 -0.18 2.03 -0.22 -1.69 116.55 114.09 2kqn n ASP 50 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kqn n ASP 50 Cb 0.60 -2.16 0.00 0.00 -0.72 0.00 0.00 41.12 38.84 2kqn n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kqn n ALA 51 N 1.00 0.00 0.80 -1.67 0.00 -1.01 -4.31 120.51 115.33 2kqn n ALA 51 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2kqn n ALA 51 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 2kqn n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kqn n SER 52 N 0.80 0.71 -4.46 0.00 7.64 -1.25 -2.26 113.62 114.81 2kqn n SER 52 Ca 0.00 -0.54 -0.36 0.00 1.01 0.00 0.00 58.87 58.98 2kqn n SER 52 Cb 0.00 0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 63.94 2kqn n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kqn s THR 53 N -3.09 4.27 0.07 0.44 2.01 -0.68 -4.98 115.64 113.67 2kqn s THR 53 Ca 0.06 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.61 2kqn s THR 53 Cb 0.16 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.63 2kqn s THR 53 CO 0.82 0.37 0.81 -0.76 -0.69 0.00 0.00 174.62 175.17 2kqn s LEU 54 N 1.40 4.47 0.53 4.42 1.43 -1.26 -1.32 118.68 128.35 2kqn s LEU 54 Ca 0.05 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.51 2kqn s LEU 54 Cb -0.15 -3.32 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 2kqn s LEU 54 CO 0.03 0.01 1.09 -0.70 0.23 0.00 0.00 176.35 177.02 2kqn s GLU 55 N -0.14 3.51 -0.01 1.70 2.56 -1.08 -4.91 118.70 120.33 2kqn s GLU 55 Ca 0.40 1.50 -0.31 0.00 0.00 0.00 0.00 54.97 56.56 2kqn s GLU 55 Cb -0.21 -2.04 -0.10 0.00 2.00 0.00 0.00 34.13 33.78 2kqn s GLU 55 CO 0.25 -0.70 1.95 2.41 -0.56 0.00 0.00 175.26 178.61 2kqn n THR 56 N -1.23 0.71 0.00 -1.70 -1.04 -1.26 -0.82 114.28 108.95 2kqn n THR 56 Ca 0.11 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kqn n THR 56 Cb 0.52 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 2kqn n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kqn n GLY 57 N 4.51 0.95 3.59 3.41 0.00 -1.26 -5.07 105.19 111.32 2kqn n GLY 57 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2kqn n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kqn s VAL 58 N -2.06 4.94 0.55 1.61 1.01 0.00 -5.05 120.40 121.40 2kqn s VAL 58 Ca 0.00 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2kqn s VAL 58 Cb 0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2kqn s VAL 58 CO 0.00 -0.17 1.34 -2.84 0.00 0.00 0.00 175.10 173.43 2kqn s PRO 59 N 2.60 3.14 0.00 2.72 0.02 -1.26 -4.81 135.00 137.41 2kqn s PRO 59 Ca 0.24 2.18 0.07 0.00 0.02 0.00 0.00 61.00 63.52 2kqn s PRO 59 Cb -0.15 -2.23 0.35 0.00 0.02 0.00 0.00 34.50 32.49 2kqn s PRO 59 CO 0.12 -1.18 1.13 0.43 -0.33 0.00 0.00 177.00 177.18 2kqn n SER 60 N -1.06 0.00 0.05 2.53 7.64 -1.26 -1.79 113.62 119.73 2kqn n SER 60 Ca 0.11 0.27 0.03 0.00 1.01 0.00 0.00 58.87 60.29 2kqn n SER 60 Cb 0.45 -0.35 0.42 0.00 -1.01 0.00 0.00 64.21 63.73 2kqn n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kqn h ARG 61 N 0.00 0.42 -6.44 1.43 3.08 -1.94 -3.43 114.38 107.50 2kqn h ARG 61 Ca 0.00 -0.05 -0.54 0.00 0.07 0.00 0.00 59.98 59.46 2kqn h ARG 61 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2kqn h ARG 61 CO 0.00 0.35 -0.01 -0.06 -1.07 0.00 0.00 179.97 179.18 2kqn s PHE 62 N -5.22 3.58 -0.11 3.04 0.08 -0.74 -0.36 117.98 118.26 2kqn s PHE 62 Ca -0.07 1.16 -0.14 0.00 0.12 0.00 0.00 56.93 58.00 2kqn s PHE 62 Cb 0.17 -2.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.20 2kqn s PHE 62 CO 0.73 0.36 0.37 -1.54 -0.10 0.00 0.00 175.22 175.04 2kqn s SER 63 N -1.80 -0.35 -0.33 1.36 1.04 -0.52 -4.98 113.70 108.12 2kqn s SER 63 Ca 0.42 0.59 0.15 0.00 0.48 0.00 0.00 55.95 57.59 2kqn s SER 63 Cb -0.15 0.65 0.43 0.00 0.10 0.00 0.00 66.02 67.06 2kqn s SER 63 CO 0.20 -0.23 1.36 0.61 0.98 0.00 0.00 173.24 176.16 2kqn n GLY 64 N 2.41 1.83 3.92 7.32 0.00 -1.23 -0.31 105.19 119.12 2kqn n GLY 64 Ca -0.15 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 2kqn n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kqn s SER 65 N -1.95 6.05 0.00 1.61 0.01 -0.96 -4.53 113.70 113.93 2kqn s SER 65 Ca 0.17 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2kqn s SER 65 Cb 0.41 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2kqn s SER 65 CO -0.09 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2kqn n GLY 66 N -2.21 -0.45 3.51 3.44 0.00 -1.26 -0.71 105.19 107.51 2kqn n GLY 66 Ca 0.01 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 2kqn n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kqn s SER 67 N -4.00 -0.63 0.53 1.61 1.04 -0.18 -4.79 113.70 107.28 2kqn s SER 67 Ca 0.00 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2kqn s SER 67 Cb 0.00 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.34 2kqn s SER 67 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2kqn n GLY 68 N 2.70 0.63 0.09 7.32 0.00 0.51 -2.34 105.19 114.11 2kqn n GLY 68 Ca -0.14 0.52 0.11 0.00 0.00 0.00 0.00 46.02 46.52 2kqn n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kqn n THR 69 N 0.00 0.46 -4.19 2.61 -2.24 -1.26 -3.91 114.28 105.75 2kqn n THR 69 Ca 0.00 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 2kqn n THR 69 Cb 0.00 -0.23 -0.17 0.00 -2.10 0.00 0.00 70.33 67.83 2kqn n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kqn s GLU 70 N -3.38 1.22 -0.02 -0.78 2.02 -0.99 -0.76 118.70 116.02 2kqn s GLU 70 Ca -0.02 -0.21 0.04 0.00 0.02 0.00 0.00 54.97 54.81 2kqn s GLU 70 Cb 0.11 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 33.15 2kqn s GLU 70 CO 0.81 -0.11 -0.13 -0.06 0.02 0.00 0.00 175.26 175.79 2kqn s PHE 71 N 1.13 1.18 -0.18 1.61 0.08 0.08 -1.01 117.98 120.87 2kqn s PHE 71 Ca -0.07 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2kqn s PHE 71 Cb -0.14 -0.78 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2kqn s PHE 71 CO -0.01 -0.05 -0.19 0.99 -0.10 0.00 0.00 175.22 175.85 2kqn s THR 72 N -0.16 2.15 -0.21 0.64 2.01 0.12 -1.02 115.64 119.16 2kqn s THR 72 Ca 0.02 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 2kqn s THR 72 Cb -0.07 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2kqn s THR 72 CO 0.00 0.53 0.04 0.12 -0.69 0.00 0.00 174.62 174.62 2kqn s PHE 73 N 1.27 3.09 -0.07 4.92 2.19 0.10 -2.48 117.98 127.00 2kqn s PHE 73 Ca 0.04 -0.35 0.02 0.00 0.33 0.00 0.00 56.93 56.97 2kqn s PHE 73 Cb -0.13 -2.14 0.01 0.00 -1.31 0.00 0.00 43.02 39.46 2kqn s PHE 73 CO -0.12 -0.21 -0.11 0.99 1.83 0.00 0.00 175.22 177.60 2kqn s THR 74 N 1.10 1.06 -0.37 0.12 2.01 0.57 0.60 115.64 120.73 2kqn s THR 74 Ca 0.03 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 2kqn s THR 74 Cb -0.14 -0.98 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 2kqn s THR 74 CO 0.02 0.34 0.28 -0.63 -0.69 0.00 0.00 174.62 173.95 2kqn s ILE 75 N 0.77 5.26 0.18 1.82 1.01 0.22 -1.44 121.20 129.02 2kqn s ILE 75 Ca -0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2kqn s ILE 75 Cb -0.15 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.58 2kqn s ILE 75 CO 0.02 -0.14 1.69 -1.28 0.00 0.00 0.00 174.94 175.23 2kqn h SER 76 N 8.55 0.97 -2.92 3.58 0.87 -0.98 -1.70 113.55 121.91 2kqn h SER 76 Ca -0.29 -0.24 -0.40 0.00 -1.23 0.00 0.00 61.79 59.63 2kqn h SER 76 Cb 1.14 -0.26 -0.39 0.00 -0.44 0.00 0.00 62.40 62.46 2kqn h SER 76 CO 0.68 0.95 -0.70 -0.44 -0.53 0.00 0.00 176.83 176.79 2kqn s SER 77 N -6.35 1.84 0.20 6.23 0.01 -1.26 -4.29 113.70 110.07 2kqn s SER 77 Ca -0.12 -0.37 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 2kqn s SER 77 Cb 0.14 -0.01 -0.10 0.00 0.21 0.00 0.00 66.02 66.25 2kqn s SER 77 CO 0.83 -0.33 1.49 -0.22 0.41 0.00 0.00 173.24 175.42 2kqn s LEU 78 N 2.21 4.38 0.17 2.44 1.98 -0.33 -4.77 118.68 124.76 2kqn s LEU 78 Ca 0.04 2.61 0.09 0.00 -2.89 0.00 0.00 54.13 53.97 2kqn s LEU 78 Cb -0.15 -3.61 -0.04 0.00 0.66 0.00 0.00 46.19 43.05 2kqn s LEU 78 CO -0.09 -0.75 -0.09 -1.10 -1.89 0.00 0.00 176.35 172.44 2kqn s GLN 79 N 0.42 2.09 0.34 1.98 -1.52 -1.26 -0.32 119.66 121.40 2kqn s GLN 79 Ca 0.64 -1.24 0.05 0.00 -1.95 0.00 0.00 55.36 52.87 2kqn s GLN 79 Cb -0.42 -2.19 0.70 0.00 -0.22 0.00 0.00 33.01 30.88 2kqn s GLN 79 CO 0.37 0.44 1.92 -1.00 -0.25 0.00 0.00 175.29 176.77 2kqn h PRO 80 N 2.94 0.80 0.00 2.91 0.13 -1.97 -0.94 132.00 135.87 2kqn h PRO 80 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2kqn h PRO 80 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kqn h PRO 80 CO 0.54 0.53 0.00 -0.85 -0.23 0.00 0.00 178.00 177.99 2kqn n GLU 81 N -4.51 0.09 -0.29 0.86 0.28 -1.26 -3.64 120.64 112.17 2kqn n GLU 81 Ca 0.13 0.08 0.05 0.00 -0.16 0.00 0.00 57.16 57.26 2kqn n GLU 81 Cb 0.28 -1.60 0.18 0.00 1.43 0.00 0.00 31.44 31.73 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kqn n ASP 82 N -1.76 2.53 -4.67 -1.84 8.00 -0.36 -4.76 116.55 113.70 2kqn n ASP 82 Ca 0.06 -2.18 -0.43 0.00 0.71 0.00 0.00 54.79 52.95 2kqn n ASP 82 Cb 0.37 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2kqn n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kqn s LEU 83 N -1.15 4.21 0.00 0.64 0.20 -1.24 -4.90 118.68 116.44 2kqn s LEU 83 Ca 0.26 1.75 -0.29 0.00 0.69 0.00 0.00 54.13 56.53 2kqn s LEU 83 Cb 0.16 -3.54 0.09 0.00 -0.43 0.00 0.00 46.19 42.47 2kqn s LEU 83 CO 0.13 -0.74 1.30 0.00 -0.29 0.00 0.00 176.35 176.76 2kqn n ALA 84 N 6.36 -3.72 -2.72 5.97 0.00 -1.13 -4.75 120.51 120.52 2kqn n ALA 84 Ca 0.14 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 2kqn n ALA 84 Cb 0.45 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 2kqn n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kqn s THR 85 N -2.01 5.28 0.00 0.00 2.01 -0.96 -2.22 115.64 117.75 2kqn s THR 85 Ca 0.31 0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2kqn s THR 85 Cb -0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2kqn s THR 85 CO -0.02 0.37 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.94 2kqn s TYR 86 N 0.56 2.98 0.24 4.92 2.02 -1.23 0.07 117.35 126.91 2kqn s TYR 86 Ca 0.18 0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 56.75 2kqn s TYR 86 Cb -0.13 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2kqn s TYR 86 CO 0.05 0.42 0.52 1.52 -1.57 0.00 0.00 175.55 176.49 2kqn s TYR 87 N -1.05 0.15 -0.03 2.71 -0.85 -1.04 -4.26 117.35 112.99 2kqn s TYR 87 Ca 0.18 -0.53 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 2kqn s TYR 87 Cb -0.11 0.32 -0.00 0.00 0.38 0.00 0.00 41.96 42.54 2kqn s TYR 87 CO 0.09 -1.01 -0.15 0.00 -1.52 0.00 0.00 175.55 172.97 2kqn s GLN 89 N -0.06 1.26 0.09 0.00 2.00 0.82 0.34 119.66 124.12 2kqn s GLN 89 Ca -0.00 -0.43 0.05 0.00 -2.00 0.00 0.00 55.36 52.97 2kqn s GLN 89 Cb -0.09 -1.14 -0.04 0.00 0.80 0.00 0.00 33.01 32.54 2kqn s GLN 89 CO 0.01 0.18 0.02 1.14 -0.50 0.00 0.00 175.29 176.14 2kqn s GLN 90 N 0.08 2.62 -0.11 1.67 1.03 -1.24 0.20 119.66 123.91 2kqn s GLN 90 Ca -0.02 -0.82 0.17 0.00 0.04 0.00 0.00 55.36 54.73 2kqn s GLN 90 Cb -0.09 -2.58 0.40 0.00 0.03 0.00 0.00 33.01 30.77 2kqn s GLN 90 CO 0.01 0.54 1.18 2.48 -2.54 0.00 0.00 175.29 176.96 2kqn n TYR 91 N 0.48 0.00 0.01 9.60 4.11 -1.14 -4.54 117.16 125.67 2kqn n TYR 91 Ca -0.10 -0.99 -0.18 0.00 -0.00 0.00 0.00 57.90 56.63 2kqn n TYR 91 Cb 0.52 -0.19 -0.14 0.00 -0.00 0.00 0.00 39.34 39.53 2kqn n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 2kqn h ASP 92 N 0.89 0.31 -4.61 9.48 1.82 -1.86 -3.48 116.42 118.98 2kqn h ASP 92 Ca -0.09 -0.95 -0.10 0.00 -0.39 0.00 0.00 57.03 55.50 2kqn h ASP 92 Cb 1.39 -0.10 -0.21 0.00 0.68 0.00 0.00 39.33 41.09 2kqn h ASP 92 CO 0.04 1.24 -0.12 0.21 -1.61 0.00 0.00 179.24 179.00 2kqn s ASN 93 N -6.69 -0.42 0.41 2.28 2.47 -1.26 -5.12 114.94 106.61 2kqn s ASN 93 Ca -0.15 0.56 -0.19 0.00 0.42 0.00 0.00 52.86 53.49 2kqn s ASN 93 Cb -0.00 0.61 -0.10 0.00 -1.45 0.00 0.00 41.25 40.30 2kqn s ASN 93 CO 0.78 -0.39 0.91 -0.76 -3.72 0.00 0.00 177.10 173.92 2kqn s LEU 94 N -0.73 3.94 0.58 3.21 1.43 -1.26 -4.10 118.68 121.75 2kqn s LEU 94 Ca -0.08 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 54.45 2kqn s LEU 94 Cb -0.03 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 2kqn s LEU 94 CO 0.04 -0.35 1.05 -2.16 0.23 0.00 0.00 176.35 175.17 2kqn s PRO 95 N -3.21 3.40 -0.04 1.29 0.04 -1.26 -4.62 135.00 130.59 2kqn s PRO 95 Ca 0.60 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 2kqn s PRO 95 Cb -0.09 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2kqn s PRO 95 CO 0.15 -0.74 0.46 0.71 0.04 0.00 0.00 177.00 177.63 2kqn s TYR 96 N -2.48 3.65 0.07 0.56 2.02 -1.26 -4.02 117.35 115.89 2kqn s TYR 96 Ca 0.63 0.99 0.08 0.00 -0.37 0.00 0.00 57.07 58.40 2kqn s TYR 96 Cb -0.15 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 38.94 2kqn s TYR 96 CO 0.36 0.43 -0.22 0.95 -1.57 0.00 0.00 175.55 175.50 2kqn s THR 97 N -0.33 1.79 -0.08 -0.71 -4.23 -1.26 -4.99 115.64 105.83 2kqn s THR 97 Ca 0.25 -1.38 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 2kqn s THR 97 Cb -0.16 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 2kqn s THR 97 CO 0.13 0.13 0.25 -0.36 -0.54 0.00 0.00 174.62 174.23 2kqn s PHE 98 N -0.94 3.63 -0.87 3.99 0.08 -1.26 -3.60 117.98 119.01 2kqn s PHE 98 Ca 0.08 0.71 -0.18 0.00 0.12 0.00 0.00 56.93 57.66 2kqn s PHE 98 Cb -0.09 -2.11 0.15 0.00 -0.57 0.00 0.00 43.02 40.39 2kqn s PHE 98 CO 0.03 0.65 1.01 0.20 -0.10 0.00 0.00 175.22 177.01 2kqn s GLY 99 N -0.89 2.07 -0.23 4.36 0.00 0.15 -4.74 107.32 108.05 2kqn s GLY 99 Ca 0.18 -2.83 0.05 0.00 0.00 0.00 0.00 44.72 42.12 2kqn s GLY 99 CO 0.07 1.81 1.45 0.61 0.00 0.00 0.00 173.10 177.05 2kqn n GLN 100 N 5.97 2.52 0.21 2.90 0.00 -1.26 -3.48 117.38 124.23 2kqn n GLN 100 Ca 0.18 -1.94 0.15 0.00 0.00 0.00 0.00 57.00 55.39 2kqn n GLN 100 Cb 0.48 -1.85 0.54 0.00 0.00 0.00 0.00 30.24 29.41 2kqn n GLN 100 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2kqn h GLY 101 N 3.10 0.00 -4.97 2.61 0.00 -1.84 -3.44 103.07 98.53 2kqn h GLY 101 Ca 0.23 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.87 2kqn h GLY 101 CO 0.53 0.00 -0.79 -1.59 0.00 0.00 0.00 176.54 174.70 2kqn s THR 102 N -3.45 2.92 -0.11 4.70 2.01 -1.23 -3.62 115.64 116.86 2kqn s THR 102 Ca 0.04 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2kqn s THR 102 Cb 0.09 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 2kqn s THR 102 CO 0.51 0.58 -0.21 -0.75 -0.69 0.00 0.00 174.62 174.06 2kqn s LYS 103 N -0.57 3.11 -0.20 4.92 2.47 -0.60 -3.53 119.74 125.33 2kqn s LYS 103 Ca 0.08 -0.83 -0.05 0.00 -1.56 0.00 0.00 55.97 53.62 2kqn s LYS 103 Cb -0.11 -2.38 -0.02 0.00 -1.46 0.00 0.00 37.83 33.85 2kqn s LYS 103 CO 0.01 0.20 -0.01 -1.17 0.16 0.00 0.00 175.35 174.55 2kqn s LEU 104 N 0.31 3.19 0.28 5.43 1.98 -0.94 -1.60 118.68 127.32 2kqn s LEU 104 Ca -0.16 -0.23 0.08 0.00 -2.89 0.00 0.00 54.13 50.93 2kqn s LEU 104 Cb -0.17 -1.81 -0.06 0.00 0.66 0.00 0.00 46.19 44.81 2kqn s LEU 104 CO 0.08 0.05 -0.10 -1.61 -1.89 0.00 0.00 176.35 172.87 2kqn s GLU 105 N 1.08 1.57 -0.12 1.98 2.02 -0.80 -2.83 118.70 121.59 2kqn s GLU 105 Ca 0.02 -1.77 -0.03 0.00 0.02 0.00 0.00 54.97 53.21 2kqn s GLU 105 Cb -0.14 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 2kqn s GLU 105 CO 0.01 0.13 -0.02 0.42 0.02 0.00 0.00 175.26 175.83 2kqn s ILE 106 N -2.86 4.10 -0.32 -1.63 1.01 -1.25 0.24 121.20 120.50 2kqn s ILE 106 Ca 0.29 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2kqn s ILE 106 Cb 0.01 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 2kqn s ILE 106 CO 0.12 0.54 1.64 -0.54 0.00 0.00 0.00 174.94 176.71 2kqn s LYS 107 N -0.21 3.53 0.00 2.79 1.02 -1.23 -4.84 119.74 120.79 2kqn s LYS 107 Ca 0.05 1.36 0.26 0.00 0.02 0.00 0.00 55.97 57.66 2kqn s LYS 107 Cb -0.13 -4.11 0.61 0.00 -0.52 0.00 0.00 37.83 33.69 2kqn s LYS 107 CO 0.02 -1.62 1.50 0.54 -0.92 0.00 0.00 175.35 174.86