#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 4.97 -0.26 2.12 1.01 -1.26 -4.58 121.20 123.20 2kqn s ILE 2 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 2kqn s ILE 2 Cb 0.00 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 2kqn s ILE 2 CO 0.00 -0.47 0.54 -1.58 0.00 0.00 0.00 174.94 173.43 2kqn s GLN 3 N 1.60 4.06 -0.54 2.79 0.74 -1.26 -4.11 119.66 122.93 2kqn s GLN 3 Ca 0.04 0.34 -0.21 0.00 0.05 0.00 0.00 55.36 55.58 2kqn s GLN 3 Cb -0.22 -3.66 0.06 0.00 1.10 0.00 0.00 33.01 30.29 2kqn s GLN 3 CO 0.07 -0.37 0.77 -1.64 -0.55 0.00 0.00 175.29 173.56 2kqn s MET 4 N 2.35 3.19 -0.35 1.67 -1.94 -1.26 -0.81 119.30 122.15 2kqn s MET 4 Ca 0.22 -0.70 -0.16 0.00 -1.71 0.00 0.00 55.69 53.34 2kqn s MET 4 Cb -0.16 -4.11 -0.01 0.00 2.01 0.00 0.00 34.83 32.57 2kqn s MET 4 CO 0.09 -1.39 0.41 0.99 -0.01 0.00 0.00 175.02 175.11 2kqn s THR 5 N 3.21 5.12 -0.05 2.05 2.01 0.78 -3.72 115.64 125.05 2kqn s THR 5 Ca 0.21 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.29 2kqn s THR 5 Cb -0.17 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2kqn s THR 5 CO 0.14 -0.16 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.27 2kqn s GLN 6 N 2.12 2.74 0.03 4.92 0.74 -1.26 0.53 119.66 129.48 2kqn s GLN 6 Ca 0.13 -0.57 -0.04 0.00 0.05 0.00 0.00 55.36 54.94 2kqn s GLN 6 Cb -0.16 -2.61 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 2kqn s GLN 6 CO 0.12 0.65 0.05 -1.12 -0.55 0.00 0.00 175.29 174.45 2kqn s SER 7 N -1.03 0.21 1.01 6.67 0.01 0.60 -4.39 113.70 116.78 2kqn s SER 7 Ca 0.14 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 2kqn s SER 7 Cb -0.11 0.18 0.07 0.00 0.21 0.00 0.00 66.02 66.38 2kqn s SER 7 CO 0.04 -0.43 0.42 -0.81 0.41 0.00 0.00 173.24 172.86 2kqn n PRO 8 N 1.06 -0.54 0.06 12.44 -0.04 -1.26 -0.84 135.00 145.88 2kqn n PRO 8 Ca -0.21 -0.65 -0.09 0.00 -0.04 0.00 0.00 63.50 62.51 2kqn n PRO 8 Cb 0.57 -0.45 0.03 0.00 -0.04 0.00 0.00 33.50 33.62 2kqn n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kqn h SER 9 N -0.65 0.44 -3.66 3.54 0.02 -1.83 -3.32 113.55 108.08 2kqn h SER 9 Ca -0.14 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2kqn h SER 9 Cb 0.38 -0.13 -0.22 0.00 0.14 0.00 0.00 62.40 62.57 2kqn h SER 9 CO 0.10 1.03 0.21 -0.94 -1.14 0.00 0.00 176.83 176.08 2kqn s SER 10 N -6.97 -0.69 -0.01 3.07 1.04 -1.26 -0.95 113.70 107.93 2kqn s SER 10 Ca -0.05 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2kqn s SER 10 Cb 0.10 1.31 0.01 0.00 0.10 0.00 0.00 66.02 67.54 2kqn s SER 10 CO 0.84 -0.22 -0.01 -1.48 0.98 0.00 0.00 173.24 173.35 2kqn s LEU 11 N 0.50 1.78 -0.13 2.42 2.34 -0.84 -4.94 118.68 119.81 2kqn s LEU 11 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 54.13 54.15 2kqn s LEU 11 Cb -0.05 -0.09 -0.03 0.00 -0.56 0.00 0.00 46.19 45.46 2kqn s LEU 11 CO -0.03 -0.02 -0.05 -0.44 -1.06 0.00 0.00 176.35 174.75 2kqn s SER 12 N 0.24 4.73 0.06 1.48 0.01 -1.26 -2.37 113.70 116.59 2kqn s SER 12 Ca -0.02 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 2kqn s SER 12 Cb -0.04 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 2kqn s SER 12 CO -0.01 0.23 0.04 0.00 0.41 0.00 0.00 173.24 173.92 2kqn s ALA 13 N -0.03 0.24 0.30 1.44 0.00 0.63 -4.85 121.76 119.49 2kqn s ALA 13 Ca 0.01 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.11 2kqn s ALA 13 Cb -0.13 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2kqn s ALA 13 CO 0.03 -0.39 -0.06 0.45 0.00 0.00 0.00 175.76 175.79 2kqn s SER 14 N -2.75 4.10 -0.15 0.00 0.15 -1.26 -2.43 113.70 111.37 2kqn s SER 14 Ca 0.04 -0.90 -0.36 0.00 0.70 0.00 0.00 55.95 55.43 2kqn s SER 14 Cb 0.05 -0.56 -0.13 0.00 -1.71 0.00 0.00 66.02 63.68 2kqn s SER 14 CO -0.09 -0.07 1.83 0.55 1.20 0.00 0.00 173.24 176.65 2kqn n VAL 15 N -0.83 0.48 0.00 4.45 3.14 -1.26 -0.14 118.33 124.17 2kqn n VAL 15 Ca -0.05 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2kqn n VAL 15 Cb 0.61 -1.64 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 2kqn n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kqn n GLY 16 N 4.31 1.88 3.90 7.55 0.00 0.12 -4.95 105.19 118.00 2kqn n GLY 16 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2kqn n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kqn s ASP 17 N -1.67 6.32 -0.15 1.61 1.01 0.80 -4.66 116.67 119.94 2kqn s ASP 17 Ca 0.00 1.01 -0.13 0.00 0.71 0.00 0.00 52.55 54.14 2kqn s ASP 17 Cb 0.00 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 2kqn s ASP 17 CO 0.00 -0.55 0.28 -0.60 0.21 0.00 0.00 175.17 174.50 2kqn s ARG 18 N -4.55 4.15 -0.04 8.23 3.52 -1.26 -1.77 118.95 127.24 2kqn s ARG 18 Ca 0.49 0.08 0.05 0.00 -0.13 0.00 0.00 55.73 56.22 2kqn s ARG 18 Cb -0.10 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 2kqn s ARG 18 CO 0.42 0.33 -0.17 0.08 -0.81 0.00 0.00 175.30 175.15 2kqn s VAL 19 N 0.19 2.85 -0.10 7.11 1.01 0.64 -4.92 120.40 127.18 2kqn s VAL 19 Ca 0.16 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2kqn s VAL 19 Cb -0.13 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2kqn s VAL 19 CO 0.04 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.79 2kqn s THR 20 N -0.72 0.77 0.09 3.92 2.01 -1.26 -0.14 115.64 120.31 2kqn s THR 20 Ca 0.11 -0.16 0.10 0.00 0.31 0.00 0.00 61.69 62.05 2kqn s THR 20 Cb -0.10 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 2kqn s THR 20 CO 0.00 0.30 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.35 2kqn s ILE 21 N 1.81 2.35 -0.05 1.82 1.01 0.11 -4.82 121.20 123.41 2kqn s ILE 21 Ca 0.05 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.21 2kqn s ILE 21 Cb -0.13 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 2kqn s ILE 21 CO -0.07 0.22 -0.21 -0.89 0.00 0.00 0.00 174.94 173.99 2kqn s THR 22 N -0.96 1.71 -0.08 2.92 2.01 -0.02 -0.06 115.64 121.14 2kqn s THR 22 Ca 0.14 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.31 2kqn s THR 22 Cb -0.10 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2kqn s THR 22 CO 0.05 0.48 -0.21 0.00 -0.69 0.00 0.00 174.62 174.25 2kqn s GLN 24 N 0.05 2.79 0.00 0.00 -0.21 0.19 -0.82 119.66 121.66 2kqn s GLN 24 Ca -0.09 -0.76 -0.17 0.00 0.02 0.00 0.00 55.36 54.36 2kqn s GLN 24 Cb -0.15 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 2kqn s GLN 24 CO 0.05 -0.12 0.49 0.00 -2.12 0.00 0.00 175.29 173.60 2kqn s ALA 25 N 1.10 3.60 0.41 6.09 0.00 -0.08 -0.16 121.76 132.73 2kqn s ALA 25 Ca -0.01 -0.10 0.13 0.00 0.00 0.00 0.00 51.96 51.97 2kqn s ALA 25 Cb -0.14 -2.55 0.86 0.00 0.00 0.00 0.00 23.12 21.29 2kqn s ALA 25 CO -0.07 0.34 1.92 1.03 0.00 0.00 0.00 175.76 178.98 2kqn h SER 26 N 5.08 0.06 -4.89 0.00 0.87 -1.27 -3.44 113.55 109.96 2kqn h SER 26 Ca -0.49 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 59.86 2kqn h SER 26 Cb 1.21 -0.02 -0.18 0.00 -0.44 0.00 0.00 62.40 62.97 2kqn h SER 26 CO 0.65 0.29 -0.70 -1.58 -0.53 0.00 0.00 176.83 174.96 2kqn s GLN 27 N -4.53 0.58 0.28 2.24 0.74 -1.26 -4.91 119.66 112.81 2kqn s GLN 27 Ca -0.04 -0.99 -0.29 0.00 0.05 0.00 0.00 55.36 54.08 2kqn s GLN 27 Cb 0.15 -0.06 -0.10 0.00 1.10 0.00 0.00 33.01 34.11 2kqn s GLN 27 CO 0.71 -0.03 1.22 0.34 -0.55 0.00 0.00 175.29 176.99 2kqn s ASP 28 N -2.27 7.00 -0.06 6.67 -1.08 -1.26 -4.73 116.67 120.94 2kqn s ASP 28 Ca -0.01 2.45 0.08 0.00 -0.52 0.00 0.00 52.55 54.55 2kqn s ASP 28 Cb -0.02 -2.63 0.13 0.00 -1.46 0.00 0.00 42.92 38.94 2kqn s ASP 28 CO -0.04 -0.37 1.01 2.30 0.52 0.00 0.00 175.17 178.59 2kqn n ILE 29 N 1.34 1.01 0.00 4.11 -5.35 -1.13 -5.00 119.36 114.35 2kqn n ILE 29 Ca 0.01 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.31 2kqn n ILE 29 Cb 0.43 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 2kqn n ILE 29 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2kqn n ASN 30 N -0.72 0.00 0.00 7.28 5.15 -1.26 -2.12 115.26 123.59 2kqn n ASN 30 Ca 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2kqn n ASN 30 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2kqn n ASN 31 N 1.40 0.00 -4.56 1.20 6.94 -1.26 -0.48 115.26 118.50 2kqn n ASN 31 Ca 0.00 -0.88 -0.43 0.00 -0.02 0.00 0.00 54.58 53.25 2kqn n ASN 31 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 2.88 -0.02 -2.53 2.02 -0.90 -2.82 117.35 115.98 2kqn s TYR 32 Ca 0.00 -1.67 0.03 0.00 -0.37 0.00 0.00 57.07 55.07 2kqn s TYR 32 Cb 0.00 -4.68 -0.00 0.00 -0.40 0.00 0.00 41.96 36.87 2kqn s TYR 32 CO 0.00 -1.75 -0.11 -1.17 -1.57 0.00 0.00 175.55 170.95 2kqn s LEU 33 N 3.85 1.92 -0.02 -1.29 1.98 -1.26 -3.28 118.68 120.57 2kqn s LEU 33 Ca 0.52 -0.22 0.06 0.00 -2.89 0.00 0.00 54.13 51.60 2kqn s LEU 33 Cb 0.03 -0.63 -0.01 0.00 0.66 0.00 0.00 46.19 46.24 2kqn s LEU 33 CO 0.06 0.11 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.80 2kqn s ILE 34 N -0.06 1.58 -0.11 6.68 1.01 0.82 -0.98 121.20 130.13 2kqn s ILE 34 Ca 0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2kqn s ILE 34 Cb -0.07 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2kqn s ILE 34 CO 0.00 0.45 -0.09 0.26 0.00 0.00 0.00 174.94 175.56 2kqn s TRP 35 N -0.39 2.90 0.26 3.97 0.52 0.24 0.18 118.94 126.62 2kqn s TRP 35 Ca 0.06 -0.31 0.08 0.00 0.02 0.00 0.00 56.10 55.95 2kqn s TRP 35 Cb -0.08 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.36 2kqn s TRP 35 CO -0.00 0.02 -0.12 0.71 0.02 0.00 0.00 176.95 177.58 2kqn s TYR 36 N -0.04 1.99 -0.16 -1.98 1.51 -0.36 -0.14 117.35 118.16 2kqn s TYR 36 Ca -0.01 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2kqn s TYR 36 Cb -0.14 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2kqn s TYR 36 CO 0.03 0.43 -0.15 1.14 -1.11 0.00 0.00 175.55 175.89 2kqn s GLN 37 N -3.64 2.47 -0.31 -0.62 -2.07 0.00 -2.89 119.66 112.60 2kqn s GLN 37 Ca 0.28 -0.67 -0.14 0.00 -1.82 0.00 0.00 55.36 53.01 2kqn s GLN 37 Cb 0.00 -2.27 -0.03 0.00 -1.09 0.00 0.00 33.01 29.62 2kqn s GLN 37 CO 0.11 -0.25 0.30 -1.14 -1.32 0.00 0.00 175.29 173.00 2kqn s GLN 38 N 1.42 3.74 -0.36 9.60 -0.44 0.69 -1.38 119.66 132.93 2kqn s GLN 38 Ca 0.04 -0.33 -0.14 0.00 -2.50 0.00 0.00 55.36 52.43 2kqn s GLN 38 Cb -0.13 -3.74 -0.00 0.00 -1.64 0.00 0.00 33.01 27.50 2kqn s GLN 38 CO -0.11 -0.38 0.30 0.15 0.50 0.00 0.00 175.29 175.76 2kqn s LYS 39 N 1.92 3.36 -0.31 1.67 3.01 -1.26 -1.47 119.74 126.66 2kqn s LYS 39 Ca 0.10 -0.68 -0.29 0.00 -1.01 0.00 0.00 55.97 54.09 2kqn s LYS 39 Cb -0.16 -3.86 -0.07 0.00 -1.01 0.00 0.00 37.83 32.73 2kqn s LYS 39 CO 0.11 -0.57 2.27 -2.30 0.51 0.00 0.00 175.35 175.37 2kqn n PRO 40 N 5.24 1.59 0.00 -1.68 -0.02 -1.26 -1.61 135.00 137.26 2kqn n PRO 40 Ca -0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2kqn n PRO 40 Cb 0.49 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 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 5.97 1.25 3.35 -1.23 0.00 -1.26 -5.10 105.19 108.17 2kqn n GLY 41 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 1.40 0.48 1.61 -2.07 -0.63 -5.13 119.66 115.31 2kqn s GLN 42 Ca 0.00 -1.72 -0.22 0.00 -1.82 0.00 0.00 55.36 51.61 2kqn s GLN 42 Cb 0.00 -0.69 -0.07 0.00 -1.09 0.00 0.00 33.01 31.15 2kqn s GLN 42 CO 0.00 -0.10 1.12 0.00 -1.32 0.00 0.00 175.29 174.99 2kqn s ALA 43 N -3.37 2.89 0.72 2.60 0.00 -1.26 -4.46 121.76 118.88 2kqn s ALA 43 Ca 0.30 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 2kqn s ALA 43 Cb 0.06 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.87 2kqn s ALA 43 CO 0.10 -0.57 1.22 -1.25 0.00 0.00 0.00 175.76 175.26 2kqn s PRO 44 N -2.92 2.19 -0.17 0.00 0.04 -1.26 -4.73 135.00 128.15 2kqn s PRO 44 Ca 0.66 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.45 2kqn s PRO 44 Cb -0.24 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2kqn s PRO 44 CO 0.29 -1.81 0.04 0.21 0.04 0.00 0.00 177.00 175.78 2kqn s LYS 45 N -3.82 3.82 -0.08 4.56 2.20 -0.48 -4.90 119.74 121.04 2kqn s LYS 45 Ca 0.76 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2kqn s LYS 45 Cb -0.30 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2kqn s LYS 45 CO 0.44 0.33 1.50 -1.17 -0.36 0.00 0.00 175.35 176.10 2kqn s LEU 46 N 0.19 4.28 -0.16 5.43 0.20 -1.26 -0.82 118.68 126.54 2kqn s LEU 46 Ca 0.03 2.05 -0.12 0.00 0.69 0.00 0.00 54.13 56.78 2kqn s LEU 46 Cb -0.12 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.03 2kqn s LEU 46 CO 0.01 -0.85 -0.27 -0.11 -0.29 0.00 0.00 176.35 174.84 2kqn n LEU 47 N 6.76 1.61 -4.09 -0.68 7.94 0.80 -4.85 117.00 124.50 2kqn n LEU 47 Ca 0.16 0.27 -0.20 0.00 -1.11 0.00 0.00 56.01 55.12 2kqn n LEU 47 Cb 0.43 -0.63 -0.15 0.00 0.53 0.00 0.00 43.42 43.61 2kqn n LEU 47 CO 0.60 -0.01 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.78 2kqn s ILE 48 N -2.54 0.97 0.28 1.96 1.01 -0.84 -1.95 121.20 120.10 2kqn s ILE 48 Ca -0.25 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2kqn s ILE 48 Cb 0.07 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 2kqn s ILE 48 CO 0.34 0.20 0.10 -0.72 0.00 0.00 0.00 174.94 174.86 2kqn s TYR 49 N -0.42 1.63 -1.78 3.97 -0.85 0.80 0.82 117.35 121.51 2kqn s TYR 49 Ca 0.04 -1.17 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 2kqn s TYR 49 Cb -0.05 -0.97 0.00 0.00 0.38 0.00 0.00 41.96 41.32 2kqn s TYR 49 CO -0.00 -0.30 0.00 -3.47 -1.52 0.00 0.00 175.55 170.26 2kqn n ASP 50 N -0.59 -5.30 0.00 -0.18 2.03 -0.72 -0.60 116.55 111.18 2kqn n ASP 50 Ca -0.00 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kqn n ASP 50 Cb 0.66 -4.28 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 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 1.31 0.00 -0.00 -1.67 0.00 -0.16 -4.14 120.51 115.85 2kqn n ALA 51 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kqn n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2kqn n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kqn n SER 52 N 1.09 1.12 -4.56 0.00 2.88 -1.21 -3.74 113.62 109.19 2kqn n SER 52 Ca 0.00 -1.12 -0.37 0.00 -1.33 0.00 0.00 58.87 56.05 2kqn n SER 52 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2kqn n SER 52 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kqn s THR 53 N -0.12 4.96 0.13 2.46 2.01 0.23 -4.64 115.64 120.67 2kqn s THR 53 Ca 0.00 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2kqn s THR 53 Cb 0.00 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 2kqn s THR 53 CO 0.00 0.31 0.93 -0.76 -0.69 0.00 0.00 174.62 174.42 2kqn s LEU 54 N 1.46 4.52 0.51 4.42 1.02 -1.26 -0.14 118.68 129.21 2kqn s LEU 54 Ca 0.06 1.78 -0.20 0.00 0.02 0.00 0.00 54.13 55.79 2kqn s LEU 54 Cb -0.15 -3.55 -0.07 0.00 0.02 0.00 0.00 46.19 42.45 2kqn s LEU 54 CO 0.07 -0.01 1.13 -0.70 0.02 0.00 0.00 176.35 176.86 2kqn s GLU 55 N -0.26 3.51 -0.08 1.70 2.56 -0.82 -4.90 118.70 120.41 2kqn s GLU 55 Ca 0.45 1.63 -0.30 0.00 0.00 0.00 0.00 54.97 56.75 2kqn s GLU 55 Cb -0.24 -2.12 -0.04 0.00 2.00 0.00 0.00 34.13 33.73 2kqn s GLU 55 CO 0.29 -0.73 1.54 0.99 -0.56 0.00 0.00 175.26 176.80 2kqn s THR 56 N -1.73 3.76 0.00 -1.70 2.01 -1.26 -2.09 115.64 114.64 2kqn s THR 56 Ca 0.70 0.94 0.00 0.00 0.31 0.00 0.00 61.69 63.64 2kqn s THR 56 Cb -0.24 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2kqn s THR 56 CO 0.28 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 2kqn n GLY 57 N 3.97 1.43 3.22 4.40 0.00 -1.26 -5.10 105.19 111.85 2kqn n GLY 57 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 2.49 0.61 1.61 1.01 -0.89 -5.11 120.40 118.12 2kqn s VAL 58 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2kqn s VAL 58 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2kqn s VAL 58 CO 0.00 0.52 1.31 -2.65 0.00 0.00 0.00 175.10 174.28 2kqn n PRO 59 N 4.31 1.35 0.00 2.72 -0.02 -1.26 -4.86 135.00 137.23 2kqn n PRO 59 Ca -0.20 0.51 0.04 0.00 -2.02 0.00 0.00 63.50 61.84 2kqn n PRO 59 Cb 0.51 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.65 2kqn n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kqn n SER 60 N -1.51 0.00 0.12 2.55 7.64 -1.26 -2.30 113.62 118.87 2kqn n SER 60 Ca 0.14 0.26 0.06 0.00 1.01 0.00 0.00 58.87 60.33 2kqn n SER 60 Cb 0.47 -0.34 0.51 0.00 -1.01 0.00 0.00 64.21 63.83 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 0.28 -6.28 1.43 3.08 -1.89 -3.42 114.38 107.58 2kqn h ARG 61 Ca 0.00 -0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.47 2kqn h ARG 61 Cb 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2kqn h ARG 61 CO 0.00 0.21 -0.18 -0.06 -1.07 0.00 0.00 179.97 178.87 2kqn s PHE 62 N -5.24 3.51 -0.16 3.04 0.08 -0.97 0.91 117.98 119.14 2kqn s PHE 62 Ca -0.07 0.82 -0.19 0.00 0.12 0.00 0.00 56.93 57.61 2kqn s PHE 62 Cb 0.17 -2.20 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 2kqn s PHE 62 CO 0.71 0.39 0.52 -1.12 -0.10 0.00 0.00 175.22 175.62 2kqn s SER 63 N -2.11 -0.52 -0.01 1.36 0.01 -0.38 -4.94 113.70 107.12 2kqn s SER 63 Ca 0.41 0.90 0.07 0.00 1.31 0.00 0.00 55.95 58.64 2kqn s SER 63 Cb -0.13 0.91 -0.02 0.00 0.21 0.00 0.00 66.02 67.00 2kqn s SER 63 CO 0.21 -0.27 -0.23 -0.83 0.41 0.00 0.00 173.24 172.53 2kqn s GLY 64 N -0.10 1.13 -0.02 3.44 0.00 -1.26 -0.39 107.32 110.11 2kqn s GLY 64 Ca -0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.69 2kqn s GLY 64 CO 0.02 -0.84 0.04 -0.56 0.00 0.00 0.00 173.10 171.76 2kqn s SER 65 N -0.62 0.05 0.00 1.64 0.01 0.42 -3.99 113.70 111.21 2kqn s SER 65 Ca 0.09 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2kqn s SER 65 Cb -0.09 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2kqn s SER 65 CO -0.01 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2kqn n GLY 66 N 4.19 2.35 3.45 3.44 0.00 -1.26 0.40 105.19 117.75 2kqn n GLY 66 Ca -0.28 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 2kqn n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kqn s SER 67 N 0.00 -0.66 0.00 1.61 0.15 -0.96 -4.78 113.70 109.06 2kqn s SER 67 Ca 0.00 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2kqn s SER 67 Cb 0.00 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 2kqn s SER 67 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2kqn n GLY 68 N 3.67 1.88 0.05 9.45 0.00 0.37 -3.33 105.19 117.27 2kqn n GLY 68 Ca -0.18 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.64 -3.80 2.61 -2.24 -1.26 -2.81 114.28 107.41 2kqn n THR 69 Ca 0.00 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 2kqn n THR 69 Cb 0.00 -0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 67.33 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 -2.22 3.33 -0.04 -0.78 2.02 -1.21 -0.90 118.70 118.89 2kqn s GLU 70 Ca -0.06 -0.68 0.05 0.00 0.02 0.00 0.00 54.97 54.30 2kqn s GLU 70 Cb 0.03 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 2kqn s GLU 70 CO 0.37 -0.30 -0.19 -0.06 0.02 0.00 0.00 175.26 175.09 2kqn s PHE 71 N 1.53 1.88 -0.05 1.61 0.08 0.00 -2.26 117.98 120.77 2kqn s PHE 71 Ca 0.04 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.63 2kqn s PHE 71 Cb -0.16 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2kqn s PHE 71 CO 0.01 -0.17 -0.24 0.99 -0.10 0.00 0.00 175.22 175.72 2kqn s THR 72 N -0.05 2.16 -0.12 0.64 2.01 0.16 0.02 115.64 120.46 2kqn s THR 72 Ca -0.03 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2kqn s THR 72 Cb -0.12 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 2kqn s THR 72 CO 0.02 0.57 -0.20 0.12 -0.69 0.00 0.00 174.62 174.45 2kqn s PHE 73 N -0.30 2.66 -0.07 4.92 5.36 0.91 -0.44 117.98 131.03 2kqn s PHE 73 Ca 0.01 -0.92 0.02 0.00 -0.96 0.00 0.00 56.93 55.07 2kqn s PHE 73 Cb -0.13 -1.77 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 2kqn s PHE 73 CO 0.02 -0.36 -0.11 0.99 -1.46 0.00 0.00 175.22 174.30 2kqn s THR 74 N 0.39 1.10 -0.38 0.12 2.01 0.48 0.04 115.64 119.39 2kqn s THR 74 Ca -0.15 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 2kqn s THR 74 Cb -0.17 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2kqn s THR 74 CO 0.07 0.35 0.27 -0.63 -0.69 0.00 0.00 174.62 173.99 2kqn s ILE 75 N 0.88 5.14 0.19 1.82 1.01 0.80 -1.25 121.20 129.79 2kqn s ILE 75 Ca -0.11 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2kqn s ILE 75 Cb -0.15 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 2kqn s ILE 75 CO 0.01 -0.21 1.44 -1.28 0.00 0.00 0.00 174.94 174.90 2kqn h SER 76 N 8.56 0.07 -2.22 3.58 0.87 0.25 0.18 113.55 124.83 2kqn h SER 76 Ca -0.28 -0.05 -0.37 0.00 -1.23 0.00 0.00 61.79 59.86 2kqn h SER 76 Cb 1.13 -0.02 -0.34 0.00 -0.44 0.00 0.00 62.40 62.73 2kqn h SER 76 CO 0.69 0.85 -0.67 -0.44 -0.53 0.00 0.00 176.83 176.74 2kqn s SER 77 N -6.82 1.90 0.09 6.23 0.01 -1.25 -4.41 113.70 109.46 2kqn s SER 77 Ca -0.01 -0.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.96 2kqn s SER 77 Cb 0.11 0.37 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 2kqn s SER 77 CO 0.80 -0.38 1.08 -0.22 0.41 0.00 0.00 173.24 174.94 2kqn s LEU 78 N 2.16 4.43 0.17 2.44 2.96 -0.73 -4.84 118.68 125.26 2kqn s LEU 78 Ca 0.11 1.92 0.09 0.00 -0.22 0.00 0.00 54.13 56.03 2kqn s LEU 78 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2kqn s LEU 78 CO -0.28 -0.28 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.17 2kqn s GLN 79 N 0.44 1.32 0.27 1.98 -1.52 -1.26 0.15 119.66 121.04 2kqn s GLN 79 Ca 0.52 -1.42 -0.00 0.00 -1.95 0.00 0.00 55.36 52.52 2kqn s GLN 79 Cb -0.27 -1.46 0.56 0.00 -0.22 0.00 0.00 33.01 31.63 2kqn s GLN 79 CO 0.31 0.30 1.77 -1.35 -0.25 0.00 0.00 175.29 176.07 2kqn h PRO 80 N 3.30 0.65 0.00 2.91 0.11 -1.96 -0.15 132.00 136.85 2kqn h PRO 80 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kqn h PRO 80 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2kqn h PRO 80 CO 0.49 0.43 0.00 0.93 -0.21 0.00 0.00 178.00 179.64 2kqn h GLU 81 N 0.67 0.00 -0.51 1.05 5.08 -2.02 -2.33 114.58 116.51 2kqn h GLU 81 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2kqn h GLU 81 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kqn h GLU 81 CO -0.36 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.40 2kqn n ASP 82 N -2.77 2.52 -4.70 1.42 8.00 -0.07 -4.81 116.55 116.14 2kqn n ASP 82 Ca 0.01 -2.15 -0.42 0.00 0.71 0.00 0.00 54.79 52.94 2kqn n ASP 82 Cb 0.29 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.14 4.31 0.08 0.64 2.96 -0.88 -4.86 118.68 119.79 2kqn s LEU 83 Ca 0.27 1.83 -0.26 0.00 -0.22 0.00 0.00 54.13 55.75 2kqn s LEU 83 Cb 0.16 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.38 2kqn s LEU 83 CO 0.15 -0.52 1.15 0.00 -1.32 0.00 0.00 176.35 175.81 2kqn s ALA 84 N 1.83 -1.99 -0.11 5.97 0.00 -1.26 -4.90 121.76 121.29 2kqn s ALA 84 Ca 0.56 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 2kqn s ALA 84 Cb -0.25 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2kqn s ALA 84 CO 0.24 -1.09 0.44 0.99 0.00 0.00 0.00 175.76 176.34 2kqn s THR 85 N -2.24 5.19 -0.05 0.00 2.01 -0.54 -2.99 115.64 117.01 2kqn s THR 85 Ca 0.23 0.88 0.02 0.00 0.31 0.00 0.00 61.69 63.13 2kqn s THR 85 Cb -0.01 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2kqn s THR 85 CO 0.02 0.36 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.90 2kqn s TYR 86 N 0.45 2.84 0.24 4.92 1.51 -1.09 -0.22 117.35 126.01 2kqn s TYR 86 Ca 0.24 -0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 56.10 2kqn s TYR 86 Cb -0.15 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 2kqn s TYR 86 CO 0.09 0.28 0.53 1.52 -1.11 0.00 0.00 175.55 176.86 2kqn s TYR 87 N -0.80 0.19 0.01 2.71 -0.85 -1.14 -4.06 117.35 113.41 2kqn s TYR 87 Ca 0.12 -0.57 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 2kqn s TYR 87 Cb -0.11 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.53 2kqn s TYR 87 CO 0.02 -1.02 -0.15 0.00 -1.52 0.00 0.00 175.55 172.87 2kqn s GLN 89 N -0.64 0.69 0.05 0.00 -2.07 0.13 -0.41 119.66 117.40 2kqn s GLN 89 Ca 0.05 -0.36 0.01 0.00 -1.82 0.00 0.00 55.36 53.24 2kqn s GLN 89 Cb -0.07 -0.65 -0.04 0.00 -1.09 0.00 0.00 33.01 31.16 2kqn s GLN 89 CO 0.00 0.18 0.12 1.14 -1.32 0.00 0.00 175.29 175.41 2kqn s GLN 90 N -0.34 3.13 -0.09 9.60 1.03 -1.25 -0.13 119.66 131.61 2kqn s GLN 90 Ca 0.02 -0.54 0.13 0.00 0.04 0.00 0.00 55.36 55.02 2kqn s GLN 90 Cb -0.04 -2.88 0.20 0.00 0.03 0.00 0.00 33.01 30.33 2kqn s GLN 90 CO -0.00 0.61 1.11 2.48 -2.54 0.00 0.00 175.29 176.94 2kqn n TYR 91 N 0.63 0.00 -0.04 9.60 4.11 -1.21 -4.49 117.16 125.75 2kqn n TYR 91 Ca -0.09 -0.70 -0.14 0.00 -0.00 0.00 0.00 57.90 56.97 2kqn n TYR 91 Cb 0.52 -0.12 -0.08 0.00 -0.00 0.00 0.00 39.34 39.65 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 0.00 0.38 -4.11 9.48 3.58 -1.90 -3.46 116.42 120.39 2kqn h ASP 92 Ca -0.00 -0.58 -0.16 0.00 0.42 0.00 0.00 57.03 56.71 2kqn h ASP 92 Cb 1.12 -0.11 -0.24 0.00 1.72 0.00 0.00 39.33 41.81 2kqn h ASP 92 CO 0.00 0.89 -0.45 0.21 -2.88 0.00 0.00 179.24 177.01 2kqn s ASN 93 N -6.26 -0.18 0.41 2.28 2.47 -1.26 -5.15 114.94 107.24 2kqn s ASN 93 Ca -0.14 0.30 -0.21 0.00 0.42 0.00 0.00 52.86 53.22 2kqn s ASN 93 Cb 0.04 0.39 -0.11 0.00 -1.45 0.00 0.00 41.25 40.13 2kqn s ASN 93 CO 0.76 -0.16 0.93 -0.76 -3.72 0.00 0.00 177.10 174.16 2kqn s LEU 94 N -0.27 4.00 0.47 3.21 1.43 -1.26 -4.20 118.68 122.07 2kqn s LEU 94 Ca -0.04 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 2kqn s LEU 94 Cb -0.03 -4.44 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 2kqn s LEU 94 CO 0.01 -0.31 0.87 -2.16 0.23 0.00 0.00 176.35 174.99 2kqn s PRO 95 N -3.02 3.81 -0.10 1.29 0.04 -1.26 -4.72 135.00 131.04 2kqn s PRO 95 Ca 0.60 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 2kqn s PRO 95 Cb -0.10 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2kqn s PRO 95 CO 0.15 -0.18 0.49 0.71 0.04 0.00 0.00 177.00 178.21 2kqn s TYR 96 N -2.56 3.55 0.11 0.56 2.02 -1.26 -4.04 117.35 115.73 2kqn s TYR 96 Ca 0.54 0.94 0.09 0.00 -0.37 0.00 0.00 57.07 58.28 2kqn s TYR 96 Cb -0.10 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 2kqn s TYR 96 CO 0.34 0.22 -0.24 0.95 -1.57 0.00 0.00 175.55 175.25 2kqn s THR 97 N 0.42 1.96 0.16 -0.71 -4.23 -1.26 -5.00 115.64 106.98 2kqn s THR 97 Ca 0.27 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2kqn s THR 97 Cb -0.16 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2kqn s THR 97 CO 0.11 0.02 0.33 -0.36 -0.54 0.00 0.00 174.62 174.18 2kqn s PHE 98 N -1.10 3.49 -1.16 3.99 0.08 -1.26 -3.83 117.98 118.19 2kqn s PHE 98 Ca 0.10 0.26 -0.19 0.00 0.12 0.00 0.00 56.93 57.22 2kqn s PHE 98 Cb -0.10 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 2kqn s PHE 98 CO 0.05 0.46 1.95 0.41 -0.10 0.00 0.00 175.22 177.99 2kqn n GLY 99 N -0.44 2.60 0.21 4.36 0.00 0.46 -4.60 105.19 107.77 2kqn n GLY 99 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2kqn n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kqn n GLN 100 N 7.45 0.26 -0.01 1.61 0.00 -1.26 -3.76 117.38 121.68 2kqn n GLN 100 Ca 0.49 0.00 0.09 0.00 0.00 0.00 0.00 57.00 57.58 2kqn n GLN 100 Cb 0.43 -1.05 -0.13 0.00 0.00 0.00 0.00 30.24 29.48 2kqn n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kqn n GLY 101 N 0.02 -0.79 3.55 2.61 0.00 -1.26 -4.96 105.19 104.35 2kqn n GLY 101 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2kqn n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kqn s THR 102 N -3.12 4.48 -0.11 2.61 2.01 -1.25 -3.93 115.64 116.33 2kqn s THR 102 Ca -0.03 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2kqn s THR 102 Cb 0.12 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 2kqn s THR 102 CO 0.75 0.43 -0.17 -0.75 -0.69 0.00 0.00 174.62 174.19 2kqn s LYS 103 N 0.76 3.22 -0.16 4.92 2.47 -0.13 -2.66 119.74 128.17 2kqn s LYS 103 Ca 0.03 -0.75 -0.07 0.00 -1.56 0.00 0.00 55.97 53.62 2kqn s LYS 103 Cb -0.14 -2.51 -0.04 0.00 -1.46 0.00 0.00 37.83 33.68 2kqn s LYS 103 CO 0.02 0.23 0.07 -1.17 0.16 0.00 0.00 175.35 174.66 2kqn s LEU 104 N 0.27 3.91 0.01 5.43 2.96 -1.16 -1.98 118.68 128.13 2kqn s LEU 104 Ca -0.12 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2kqn s LEU 104 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2kqn s LEU 104 CO 0.06 0.25 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.55 2kqn s GLU 105 N -0.10 1.42 -0.27 1.98 0.41 -1.00 -4.40 118.70 116.74 2kqn s GLU 105 Ca 0.07 -0.74 -0.13 0.00 -0.41 0.00 0.00 54.97 53.76 2kqn s GLU 105 Cb -0.12 -1.42 -0.04 0.00 -1.78 0.00 0.00 34.13 30.77 2kqn s GLU 105 CO 0.01 0.38 0.30 0.42 -0.49 0.00 0.00 175.26 175.88 2kqn s ILE 106 N -0.56 5.23 -0.13 -1.63 1.01 -1.22 -0.27 121.20 123.63 2kqn s ILE 106 Ca 0.07 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 2kqn s ILE 106 Cb -0.08 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2kqn s ILE 106 CO 0.00 0.20 1.44 -0.54 0.00 0.00 0.00 174.94 176.04 2kqn s LYS 107 N 1.91 4.16 0.00 2.79 1.02 -1.02 -4.93 119.74 123.68 2kqn s LYS 107 Ca 0.12 1.84 0.24 0.00 0.02 0.00 0.00 55.97 58.19 2kqn s LYS 107 Cb -0.16 -3.88 0.23 0.00 -0.52 0.00 0.00 37.83 33.51 2kqn s LYS 107 CO 0.10 -0.83 1.29 0.54 -0.92 0.00 0.00 175.35 175.53