#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 4.93 -0.11 2.12 1.01 -1.26 -4.69 121.20 123.21 2kqn s ILE 2 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 2kqn s ILE 2 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2kqn s ILE 2 CO 0.00 -0.41 0.65 -1.58 0.00 0.00 0.00 174.94 173.60 2kqn s GLN 3 N 1.60 4.36 -0.34 2.79 -0.44 -1.26 -4.26 119.66 122.10 2kqn s GLN 3 Ca 0.04 0.75 -0.15 0.00 -2.50 0.00 0.00 55.36 53.49 2kqn s GLN 3 Cb -0.21 -3.48 -0.01 0.00 -1.64 0.00 0.00 33.01 27.66 2kqn s GLN 3 CO 0.07 -0.01 0.34 -1.64 0.50 0.00 0.00 175.29 174.55 2kqn s MET 4 N 1.10 3.56 -0.24 1.67 -1.94 -1.26 -0.50 119.30 121.69 2kqn s MET 4 Ca 0.33 -0.45 -0.08 0.00 -1.71 0.00 0.00 55.69 53.78 2kqn s MET 4 Cb -0.17 -3.80 -0.04 0.00 2.01 0.00 0.00 34.83 32.83 2kqn s MET 4 CO 0.14 -0.51 0.10 0.99 -0.01 0.00 0.00 175.02 175.73 2kqn s THR 5 N 1.97 4.68 0.01 2.05 2.01 0.51 -3.88 115.64 122.99 2kqn s THR 5 Ca 0.11 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2kqn s THR 5 Cb -0.17 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 2kqn s THR 5 CO 0.11 0.35 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.64 2kqn s GLN 6 N 1.33 2.22 0.01 4.92 0.74 -1.26 0.60 119.66 128.23 2kqn s GLN 6 Ca 0.06 -0.89 -0.04 0.00 0.05 0.00 0.00 55.36 54.54 2kqn s GLN 6 Cb -0.15 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.71 2kqn s GLN 6 CO 0.05 0.57 0.05 -1.12 -0.55 0.00 0.00 175.29 174.29 2kqn s SER 7 N -1.20 0.14 0.83 6.67 0.01 0.92 -4.25 113.70 116.83 2kqn s SER 7 Ca 0.14 -0.37 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2kqn s SER 7 Cb -0.11 0.15 0.13 0.00 0.21 0.00 0.00 66.02 66.41 2kqn s SER 7 CO 0.04 -0.34 1.17 -2.16 0.41 0.00 0.00 173.24 172.36 2kqn s PRO 8 N -1.49 1.42 0.37 12.44 0.04 -1.26 -0.42 135.00 146.10 2kqn s PRO 8 Ca -0.15 -0.39 0.05 0.00 0.04 0.00 0.00 61.00 60.54 2kqn s PRO 8 Cb -0.08 -2.02 0.74 0.00 0.04 0.00 0.00 34.50 33.17 2kqn s PRO 8 CO -0.00 -1.83 2.02 0.77 0.04 0.00 0.00 177.00 178.00 2kqn h SER 9 N -1.11 0.62 -3.17 6.66 0.02 -1.79 -3.33 113.55 111.46 2kqn h SER 9 Ca -0.43 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2kqn h SER 9 Cb 1.28 -0.15 -0.26 0.00 0.14 0.00 0.00 62.40 63.41 2kqn h SER 9 CO 0.49 0.44 0.41 -0.94 -1.14 0.00 0.00 176.83 176.09 2kqn s SER 10 N -6.49 -0.49 -0.05 3.07 1.04 -1.26 -1.56 113.70 107.96 2kqn s SER 10 Ca -0.09 0.92 -0.06 0.00 0.48 0.00 0.00 55.95 57.20 2kqn s SER 10 Cb 0.18 0.97 0.01 0.00 0.10 0.00 0.00 66.02 67.28 2kqn s SER 10 CO 0.75 -0.16 0.16 -1.48 0.98 0.00 0.00 173.24 173.49 2kqn s LEU 11 N 0.40 1.41 -0.10 2.42 2.34 -0.58 -4.91 118.68 119.67 2kqn s LEU 11 Ca 0.01 0.24 -0.04 0.00 0.06 0.00 0.00 54.13 54.40 2kqn s LEU 11 Cb -0.05 0.57 -0.04 0.00 -0.56 0.00 0.00 46.19 46.12 2kqn s LEU 11 CO -0.07 -0.11 0.05 -0.94 -1.06 0.00 0.00 176.35 174.22 2kqn s SER 12 N -0.15 5.64 0.05 1.48 1.04 -1.26 -2.00 113.70 118.50 2kqn s SER 12 Ca -0.02 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 2kqn s SER 12 Cb -0.02 -1.69 0.01 0.00 0.10 0.00 0.00 66.02 64.41 2kqn s SER 12 CO 0.00 0.38 0.22 0.00 0.98 0.00 0.00 173.24 174.83 2kqn s ALA 13 N -0.89 -0.40 0.28 5.32 0.00 0.88 -4.80 121.76 122.14 2kqn s ALA 13 Ca 0.13 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.86 2kqn s ALA 13 Cb -0.12 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2kqn s ALA 13 CO 0.03 -0.41 0.18 -1.54 0.00 0.00 0.00 175.76 174.01 2kqn s SER 14 N -2.29 5.26 -0.15 0.00 1.04 -1.26 -1.18 113.70 115.12 2kqn s SER 14 Ca -0.02 -0.40 -0.37 0.00 0.48 0.00 0.00 55.95 55.64 2kqn s SER 14 Cb 0.01 -1.18 -0.14 0.00 0.10 0.00 0.00 66.02 64.80 2kqn s SER 14 CO -0.06 -0.11 1.77 0.55 0.98 0.00 0.00 173.24 176.37 2kqn n VAL 15 N -1.17 0.39 0.00 5.02 3.14 -1.26 -0.53 118.33 123.92 2kqn n VAL 15 Ca -0.06 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2kqn n VAL 15 Cb 0.59 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 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 4.15 0.61 3.89 7.55 0.00 -0.25 -4.92 105.19 116.21 2kqn n GLY 16 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.99 6.37 -0.21 1.61 1.01 0.31 -4.69 116.67 119.07 2kqn s ASP 17 Ca 0.00 1.04 -0.09 0.00 0.71 0.00 0.00 52.55 54.21 2kqn s ASP 17 Cb 0.00 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2kqn s ASP 17 CO 0.00 -0.52 0.10 -0.60 0.21 0.00 0.00 175.17 174.37 2kqn s ARG 18 N -4.39 3.98 -0.03 8.23 3.52 -1.26 -1.10 118.95 127.90 2kqn s ARG 18 Ca 0.49 -0.33 0.06 0.00 -0.13 0.00 0.00 55.73 55.83 2kqn s ARG 18 Cb -0.10 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 2kqn s ARG 18 CO 0.40 0.14 -0.22 0.08 -0.81 0.00 0.00 175.30 174.89 2kqn s VAL 19 N 0.77 2.40 -0.20 7.11 1.01 -0.46 -4.94 120.40 126.09 2kqn s VAL 19 Ca 0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 2kqn s VAL 19 Cb -0.13 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 2kqn s VAL 19 CO 0.02 0.58 -0.10 0.28 0.00 0.00 0.00 175.10 175.88 2kqn s THR 20 N -0.61 2.93 -0.06 3.92 -1.32 -1.26 -1.43 115.64 117.81 2kqn s THR 20 Ca 0.09 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 59.98 2kqn s THR 20 Cb -0.11 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 2kqn s THR 20 CO -0.00 0.47 -0.24 -0.63 -2.21 0.00 0.00 174.62 172.01 2kqn s ILE 21 N 1.31 1.94 -0.05 5.08 1.01 0.12 -4.68 121.20 125.94 2kqn s ILE 21 Ca 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.75 2kqn s ILE 21 Cb -0.14 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 2kqn s ILE 21 CO -0.05 0.54 -0.25 -0.89 0.00 0.00 0.00 174.94 174.29 2kqn s THR 22 N -0.10 2.04 -0.08 2.92 2.01 0.44 0.25 115.64 123.12 2kqn s THR 22 Ca -0.04 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.92 2kqn s THR 22 Cb -0.14 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 2kqn s THR 22 CO 0.04 0.57 -0.20 0.00 -0.69 0.00 0.00 174.62 174.34 2kqn s GLN 24 N -0.04 2.41 0.00 0.00 -0.21 0.20 -0.33 119.66 121.68 2kqn s GLN 24 Ca -0.06 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 2kqn s GLN 24 Cb -0.14 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.74 2kqn s GLN 24 CO 0.05 -0.11 0.38 0.00 -2.12 0.00 0.00 175.29 173.48 2kqn s ALA 25 N 1.12 3.72 0.27 6.09 0.00 0.85 -0.36 121.76 133.45 2kqn s ALA 25 Ca -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2kqn s ALA 25 Cb -0.14 -2.33 0.33 0.00 0.00 0.00 0.00 23.12 20.98 2kqn s ALA 25 CO -0.05 0.51 1.94 1.03 0.00 0.00 0.00 175.76 179.19 2kqn h SER 26 N 4.58 1.08 -4.70 0.00 0.87 -1.12 -3.43 113.55 110.82 2kqn h SER 26 Ca -0.52 -0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 59.71 2kqn h SER 26 Cb 1.22 -0.27 -0.21 0.00 -0.44 0.00 0.00 62.40 62.69 2kqn h SER 26 CO 0.62 0.78 -0.74 -1.58 -0.53 0.00 0.00 176.83 175.38 2kqn s GLN 27 N -6.03 0.58 0.70 2.24 0.74 -1.26 -4.94 119.66 111.69 2kqn s GLN 27 Ca -0.12 -0.79 -0.15 0.00 0.05 0.00 0.00 55.36 54.35 2kqn s GLN 27 Cb 0.18 -0.40 0.02 0.00 1.10 0.00 0.00 33.01 33.91 2kqn s GLN 27 CO 0.81 0.08 1.15 0.16 -0.55 0.00 0.00 175.29 176.93 2kqn s ASP 28 N -1.60 4.68 -0.05 6.67 -4.77 -1.26 -4.81 116.67 115.52 2kqn s ASP 28 Ca -0.08 2.13 0.10 0.00 -3.30 0.00 0.00 52.55 51.40 2kqn s ASP 28 Cb -0.10 -2.56 0.18 0.00 -1.09 0.00 0.00 42.92 39.35 2kqn s ASP 28 CO 0.01 -1.93 1.09 2.30 0.70 0.00 0.00 175.17 177.34 2kqn n ILE 29 N -2.62 0.70 0.00 2.11 -5.35 -0.80 -4.98 119.36 108.42 2kqn n ILE 29 Ca 0.11 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 2kqn n ILE 29 Cb 0.51 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.40 0.00 -0.09 7.28 2.85 -1.26 -1.44 115.26 122.20 2kqn n ASN 30 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2kqn n ASN 30 Cb 0.76 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.78 2kqn n ASN 30 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2kqn n ASN 31 N 1.73 0.00 -4.48 1.20 5.15 -1.26 -1.61 115.26 116.00 2kqn n ASN 31 Ca 0.00 -1.01 -0.44 0.00 -0.60 0.00 0.00 54.58 52.53 2kqn n ASN 31 Cb 0.00 -0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.24 2kqn n ASN 31 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2kqn s TYR 32 N 0.00 3.37 -0.02 1.20 2.02 -0.52 -3.09 117.35 120.32 2kqn s TYR 32 Ca 0.00 -1.97 0.04 0.00 -0.37 0.00 0.00 57.07 54.76 2kqn s TYR 32 Cb 0.00 -4.36 -0.01 0.00 -0.40 0.00 0.00 41.96 37.19 2kqn s TYR 32 CO 0.00 -1.46 -0.12 -1.17 -1.57 0.00 0.00 175.55 171.23 2kqn s LEU 33 N 2.03 1.95 0.03 -1.29 1.98 -1.26 -2.45 118.68 119.68 2kqn s LEU 33 Ca 0.43 -0.23 0.09 0.00 -2.89 0.00 0.00 54.13 51.52 2kqn s LEU 33 Cb -0.02 -0.66 -0.03 0.00 0.66 0.00 0.00 46.19 46.14 2kqn s LEU 33 CO -0.01 0.13 -0.25 -0.63 -1.89 0.00 0.00 176.35 173.71 2kqn s ILE 34 N -0.14 2.01 -0.10 6.68 1.01 0.89 -0.80 121.20 130.76 2kqn s ILE 34 Ca 0.02 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.41 2kqn s ILE 34 Cb -0.06 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2kqn s ILE 34 CO 0.00 0.39 -0.12 0.26 0.00 0.00 0.00 174.94 175.47 2kqn s TRP 35 N -0.74 2.81 0.26 3.97 0.52 0.22 -0.23 118.94 125.75 2kqn s TRP 35 Ca 0.10 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 55.91 2kqn s TRP 35 Cb -0.10 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 2kqn s TRP 35 CO 0.01 -0.03 -0.14 0.71 0.02 0.00 0.00 176.95 177.52 2kqn s TYR 36 N -0.07 2.01 -0.17 -1.98 1.51 0.66 -0.38 117.35 118.93 2kqn s TYR 36 Ca -0.02 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2kqn s TYR 36 Cb -0.14 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 2kqn s TYR 36 CO 0.04 0.49 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.68 2kqn s GLN 37 N -3.61 2.33 -0.42 -0.62 0.74 0.47 -2.27 119.66 116.27 2kqn s GLN 37 Ca 0.27 -0.71 -0.10 0.00 0.05 0.00 0.00 55.36 54.88 2kqn s GLN 37 Cb -0.01 -2.29 0.08 0.00 1.10 0.00 0.00 33.01 31.89 2kqn s GLN 37 CO 0.11 -0.30 0.27 -1.14 -0.55 0.00 0.00 175.29 173.69 2kqn s GLN 38 N 1.42 2.63 -0.30 1.67 -0.44 0.36 -0.78 119.66 124.22 2kqn s GLN 38 Ca 0.03 -1.46 -0.13 0.00 -2.50 0.00 0.00 55.36 51.29 2kqn s GLN 38 Cb -0.14 -3.81 -0.03 0.00 -1.64 0.00 0.00 33.01 27.38 2kqn s GLN 38 CO -0.10 -0.97 0.30 0.15 0.50 0.00 0.00 175.29 175.17 2kqn s LYS 39 N 1.44 3.83 0.14 1.67 1.02 -1.26 -1.90 119.74 124.68 2kqn s LYS 39 Ca 0.03 -0.26 -0.35 0.00 0.02 0.00 0.00 55.97 55.42 2kqn s LYS 39 Cb -0.23 -3.71 -0.15 0.00 -0.52 0.00 0.00 37.83 33.22 2kqn s LYS 39 CO 0.02 -0.32 1.44 -2.30 -0.92 0.00 0.00 175.35 173.28 2kqn n PRO 40 N 5.23 1.69 0.00 -1.68 -0.02 -1.26 -2.20 135.00 136.76 2kqn n PRO 40 Ca -0.11 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2kqn n PRO 40 Cb 0.51 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.87 1.32 3.38 -1.23 0.00 -1.26 -5.05 105.19 105.22 2kqn n GLY 41 Ca 0.17 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 1.46 0.62 1.61 -2.07 -0.94 -5.14 119.66 115.20 2kqn s GLN 42 Ca 0.00 -1.75 -0.17 0.00 -1.82 0.00 0.00 55.36 51.62 2kqn s GLN 42 Cb 0.00 -0.84 -0.02 0.00 -1.09 0.00 0.00 33.01 31.06 2kqn s GLN 42 CO 0.00 -0.06 1.12 0.00 -1.32 0.00 0.00 175.29 175.03 2kqn s ALA 43 N -3.26 2.53 0.58 2.60 0.00 -1.26 -4.57 121.76 118.38 2kqn s ALA 43 Ca 0.30 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 2kqn s ALA 43 Cb 0.05 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2kqn s ALA 43 CO 0.11 -1.12 1.26 -0.35 0.00 0.00 0.00 175.76 175.65 2kqn n PRO 44 N -2.01 1.38 -4.98 0.00 -0.04 -1.26 -4.69 135.00 123.39 2kqn n PRO 44 Ca 0.11 0.52 -0.32 0.00 -0.04 0.00 0.00 63.50 63.76 2kqn n PRO 44 Cb 0.51 -2.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.35 2kqn n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kqn s LYS 45 N -2.95 3.16 0.03 0.54 2.20 0.04 -4.96 119.74 117.80 2kqn s LYS 45 Ca 0.75 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 55.28 2kqn s LYS 45 Cb -0.41 -2.46 -0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2kqn s LYS 45 CO 0.47 0.23 1.36 -1.17 -0.36 0.00 0.00 175.35 175.88 2kqn s LEU 46 N 0.26 4.33 -0.06 5.43 0.20 -1.26 -0.40 118.68 127.19 2kqn s LEU 46 Ca -0.13 2.12 -0.10 0.00 0.69 0.00 0.00 54.13 56.72 2kqn s LEU 46 Cb -0.16 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 41.99 2kqn s LEU 46 CO 0.07 -0.67 -0.19 -0.11 -0.29 0.00 0.00 176.35 175.16 2kqn n LEU 47 N 4.92 1.53 -4.18 -0.68 7.94 0.49 -4.87 117.00 122.16 2kqn n LEU 47 Ca 0.12 0.24 -0.24 0.00 -1.11 0.00 0.00 56.01 55.02 2kqn n LEU 47 Cb 0.44 -0.55 -0.14 0.00 0.53 0.00 0.00 43.42 43.70 2kqn n LEU 47 CO 0.58 -0.44 -0.49 -0.63 -1.11 0.00 0.00 177.39 175.30 2kqn s ILE 48 N -2.48 1.36 0.25 1.96 1.01 -0.92 -1.68 121.20 120.70 2kqn s ILE 48 Ca -0.16 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2kqn s ILE 48 Cb 0.03 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2kqn s ILE 48 CO 0.23 0.24 0.11 -0.72 0.00 0.00 0.00 174.94 174.81 2kqn s TYR 49 N -0.60 1.43 -1.98 3.97 -0.85 0.95 0.70 117.35 120.97 2kqn s TYR 49 Ca 0.06 -1.26 0.00 0.00 -0.52 0.00 0.00 57.07 55.35 2kqn s TYR 49 Cb -0.07 -0.80 0.00 0.00 0.38 0.00 0.00 41.96 41.47 2kqn s TYR 49 CO 0.00 -0.44 0.00 -3.47 -1.52 0.00 0.00 175.55 170.12 2kqn n ASP 50 N -0.45 -5.35 -2.52 -0.18 2.03 -0.60 -0.59 116.55 108.89 2kqn n ASP 50 Ca 0.01 0.34 -0.16 0.00 0.52 0.00 0.00 54.79 55.50 2kqn n ASP 50 Cb 0.66 -4.66 -0.00 0.00 -0.72 0.00 0.00 41.12 36.40 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 0.25 -0.77 0.00 -1.67 0.00 0.02 -4.39 120.51 113.95 2kqn n ALA 51 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kqn n ALA 51 Cb 0.66 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.93 0.00 -4.68 0.00 2.88 -0.88 -2.44 113.62 106.57 2kqn n SER 52 Ca -0.16 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.95 2kqn n SER 52 Cb 0.63 0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.81 3.96 0.09 2.46 2.01 0.24 -4.64 115.64 117.95 2kqn s THR 53 Ca 0.00 1.28 -0.28 0.00 0.31 0.00 0.00 61.69 63.00 2kqn s THR 53 Cb 0.00 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 2kqn s THR 53 CO 0.00 -0.03 0.89 -0.76 -0.69 0.00 0.00 174.62 174.03 2kqn s LEU 54 N 2.69 4.48 0.53 4.42 1.02 -1.26 -0.04 118.68 130.52 2kqn s LEU 54 Ca 0.61 1.67 -0.19 0.00 0.02 0.00 0.00 54.13 56.23 2kqn s LEU 54 Cb -0.28 -3.46 -0.07 0.00 0.02 0.00 0.00 46.19 42.41 2kqn s LEU 54 CO 0.23 -0.03 1.08 -0.70 0.02 0.00 0.00 176.35 176.95 2kqn s GLU 55 N -0.04 3.53 -0.08 1.70 2.56 -0.68 -4.92 118.70 120.77 2kqn s GLU 55 Ca 0.44 1.46 -0.34 0.00 0.00 0.00 0.00 54.97 56.52 2kqn s GLU 55 Cb -0.22 -2.04 -0.12 0.00 2.00 0.00 0.00 34.13 33.75 2kqn s GLU 55 CO 0.27 -0.68 1.88 2.41 -0.56 0.00 0.00 175.26 178.58 2kqn n THR 56 N -1.26 0.57 0.00 -1.70 -1.04 -1.26 -1.19 114.28 108.40 2kqn n THR 56 Ca 0.10 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kqn n THR 56 Cb 0.52 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 4.39 0.70 3.65 3.41 0.00 -1.26 -5.07 105.19 111.01 2kqn n GLY 57 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 4.98 0.60 1.61 1.01 -0.34 -5.05 120.40 121.22 2kqn s VAL 58 Ca 0.00 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.04 2kqn s VAL 58 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2kqn s VAL 58 CO 0.00 0.07 1.22 -2.65 0.00 0.00 0.00 175.10 173.75 2kqn n PRO 59 N 5.26 1.26 0.00 2.72 -0.02 -1.26 -4.88 135.00 138.08 2kqn n PRO 59 Ca 0.00 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 2kqn n PRO 59 Cb 0.49 -2.44 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.24 0.00 0.27 2.55 7.64 -1.26 -2.25 113.62 119.33 2kqn n SER 60 Ca 0.13 0.31 0.16 0.00 1.01 0.00 0.00 58.87 60.48 2kqn n SER 60 Cb 0.46 -0.39 0.63 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.00 -6.11 1.43 3.08 -1.94 -3.43 114.38 107.41 2kqn h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2kqn h ARG 61 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 2kqn h ARG 61 CO 0.00 0.03 -0.18 -0.06 -1.07 0.00 0.00 179.97 178.69 2kqn s PHE 62 N -3.66 3.67 -0.13 3.04 0.08 -0.95 -0.12 117.98 119.91 2kqn s PHE 62 Ca 0.01 0.96 -0.12 0.00 0.12 0.00 0.00 56.93 57.90 2kqn s PHE 62 Cb 0.09 -2.28 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 2kqn s PHE 62 CO 0.56 0.57 0.35 -1.12 -0.10 0.00 0.00 175.22 175.48 2kqn s SER 63 N -1.40 -0.36 -0.41 1.36 0.01 -0.57 -4.97 113.70 107.35 2kqn s SER 63 Ca 0.29 0.70 0.09 0.00 1.31 0.00 0.00 55.95 58.35 2kqn s SER 63 Cb -0.16 0.71 0.34 0.00 0.21 0.00 0.00 66.02 67.13 2kqn s SER 63 CO 0.16 -0.12 0.94 0.61 0.41 0.00 0.00 173.24 175.24 2kqn n GLY 64 N 2.88 2.05 3.81 3.44 0.00 -1.26 0.14 105.19 116.25 2kqn n GLY 64 Ca -0.13 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.85 7.08 0.00 1.61 0.01 -0.99 -3.57 113.70 115.99 2kqn s SER 65 Ca 0.31 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.84 2kqn s SER 65 Cb 0.32 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2kqn s SER 65 CO -0.06 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2kqn n GLY 66 N 1.72 2.13 3.19 3.44 0.00 -1.02 -2.25 105.19 112.39 2kqn n GLY 66 Ca -0.10 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 -0.17 0.00 1.61 1.04 -1.10 -4.74 113.70 110.34 2kqn s SER 67 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2kqn s SER 67 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2kqn s SER 67 CO 0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2kqn n GLY 68 N 1.76 2.31 0.03 7.32 0.00 -0.63 -3.56 105.19 112.43 2kqn n GLY 68 Ca -0.20 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 0.39 -4.54 2.61 -2.24 -1.26 -1.90 114.28 107.34 2kqn n THR 69 Ca 0.00 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 2kqn n THR 69 Cb 0.00 -0.82 -0.17 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.14 2.02 -0.03 -0.78 2.02 -1.23 -0.10 118.70 118.46 2kqn s GLU 70 Ca -0.05 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.49 2kqn s GLU 70 Cb 0.02 -1.69 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 2kqn s GLU 70 CO 0.21 -0.02 -0.18 -0.06 0.02 0.00 0.00 175.26 175.23 2kqn s PHE 71 N 0.85 1.69 -0.20 1.61 0.08 0.55 -2.72 117.98 119.83 2kqn s PHE 71 Ca -0.10 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.56 2kqn s PHE 71 Cb -0.15 -1.11 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2kqn s PHE 71 CO 0.01 -0.10 -0.18 0.99 -0.10 0.00 0.00 175.22 175.85 2kqn s THR 72 N -0.21 2.16 -0.24 0.64 2.01 -0.95 -0.74 115.64 118.30 2kqn s THR 72 Ca 0.02 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 2kqn s THR 72 Cb -0.09 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2kqn s THR 72 CO 0.01 0.44 0.11 0.12 -0.69 0.00 0.00 174.62 174.60 2kqn s PHE 73 N 1.27 3.19 -0.07 4.92 5.36 0.14 -2.34 117.98 130.44 2kqn s PHE 73 Ca 0.03 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.93 2kqn s PHE 73 Cb -0.14 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 2kqn s PHE 73 CO -0.11 -0.13 -0.09 0.99 -1.46 0.00 0.00 175.22 174.42 2kqn s THR 74 N 1.29 0.95 -0.32 0.12 2.01 0.12 0.14 115.64 119.94 2kqn s THR 74 Ca 0.06 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 2kqn s THR 74 Cb -0.15 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2kqn s THR 74 CO 0.05 0.33 0.31 -0.63 -0.69 0.00 0.00 174.62 173.99 2kqn s ILE 75 N 1.07 5.22 0.18 1.82 1.01 -0.51 -1.51 121.20 128.48 2kqn s ILE 75 Ca -0.08 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2kqn s ILE 75 Cb -0.14 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.69 2kqn s ILE 75 CO -0.01 0.02 1.71 -1.28 0.00 0.00 0.00 174.94 175.38 2kqn h SER 76 N 8.41 0.96 -2.74 3.58 0.87 -0.80 -1.23 113.55 122.60 2kqn h SER 76 Ca -0.31 -0.22 -0.43 0.00 -1.23 0.00 0.00 61.79 59.60 2kqn h SER 76 Cb 1.16 -0.25 -0.39 0.00 -0.44 0.00 0.00 62.40 62.48 2kqn h SER 76 CO 0.65 0.93 -0.71 -0.55 -0.53 0.00 0.00 176.83 176.61 2kqn s SER 77 N -6.31 2.34 0.25 6.23 0.15 -1.25 -4.07 113.70 111.03 2kqn s SER 77 Ca -0.12 -0.71 -0.30 0.00 0.70 0.00 0.00 55.95 55.52 2kqn s SER 77 Cb 0.14 -0.03 -0.10 0.00 -1.71 0.00 0.00 66.02 64.32 2kqn s SER 77 CO 0.83 -0.37 1.39 -0.22 1.20 0.00 0.00 173.24 176.06 2kqn s LEU 78 N 2.20 4.40 0.06 3.45 1.98 -0.26 -4.78 118.68 125.72 2kqn s LEU 78 Ca 0.06 2.61 0.05 0.00 -2.89 0.00 0.00 54.13 53.96 2kqn s LEU 78 Cb -0.16 -3.62 -0.04 0.00 0.66 0.00 0.00 46.19 43.03 2kqn s LEU 78 CO -0.20 -0.64 -0.07 -1.10 -1.89 0.00 0.00 176.35 172.45 2kqn s GLN 79 N -0.52 2.38 0.28 1.98 -1.52 -1.26 -1.09 119.66 119.90 2kqn s GLN 79 Ca 0.57 -0.86 -0.02 0.00 -1.95 0.00 0.00 55.36 53.10 2kqn s GLN 79 Cb -0.40 -2.42 0.44 0.00 -0.22 0.00 0.00 33.01 30.40 2kqn s GLN 79 CO 0.43 0.55 1.90 -1.35 -0.25 0.00 0.00 175.29 176.58 2kqn h PRO 80 N 4.01 1.11 0.00 2.91 0.11 -1.95 -0.70 132.00 137.49 2kqn h PRO 80 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2kqn h PRO 80 Cb 1.17 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2kqn h PRO 80 CO 0.54 0.73 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 2kqn n GLU 81 N -4.48 0.09 -0.64 1.05 1.02 -1.26 -3.01 120.64 113.41 2kqn n GLU 81 Ca 0.14 0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 2kqn n GLU 81 Cb 0.16 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.39 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kqn n ASP 82 N -1.45 4.42 -4.67 1.62 8.00 -0.27 -4.83 116.55 119.37 2kqn n ASP 82 Ca 0.08 -2.63 -0.43 0.00 0.71 0.00 0.00 54.79 52.53 2kqn n ASP 82 Cb 0.31 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.97 4.24 0.15 0.64 0.20 -1.16 -4.88 118.68 115.90 2kqn s LEU 83 Ca 0.41 1.82 -0.23 0.00 0.69 0.00 0.00 54.13 56.82 2kqn s LEU 83 Cb 0.30 -3.55 0.08 0.00 -0.43 0.00 0.00 46.19 42.60 2kqn s LEU 83 CO 0.14 -0.71 1.08 0.00 -0.29 0.00 0.00 176.35 176.56 2kqn s ALA 84 N 3.01 -1.73 -0.29 5.97 0.00 -1.24 -4.88 121.76 122.59 2kqn s ALA 84 Ca 0.58 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 2kqn s ALA 84 Cb -0.25 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2kqn s ALA 84 CO 0.19 -1.08 0.48 0.99 0.00 0.00 0.00 175.76 176.35 2kqn s THR 85 N -2.18 5.08 -0.06 0.00 2.01 -0.80 -1.89 115.64 117.80 2kqn s THR 85 Ca 0.23 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 2kqn s THR 85 Cb -0.02 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2kqn s THR 85 CO 0.04 0.03 0.13 -0.31 -0.69 0.00 0.00 174.62 173.82 2kqn s TYR 86 N 2.27 3.49 0.24 4.92 2.02 -1.17 -0.48 117.35 128.64 2kqn s TYR 86 Ca 0.19 0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 57.12 2kqn s TYR 86 Cb -0.16 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 2kqn s TYR 86 CO 0.10 0.65 0.52 1.52 -1.57 0.00 0.00 175.55 176.78 2kqn s TYR 87 N -1.15 0.15 0.11 2.71 -0.85 -0.96 -4.15 117.35 113.21 2kqn s TYR 87 Ca 0.21 -0.52 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 2kqn s TYR 87 Cb -0.12 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 2kqn s TYR 87 CO 0.11 -1.00 -0.15 0.00 -1.52 0.00 0.00 175.55 172.98 2kqn s GLN 89 N -2.39 0.09 -0.10 0.00 1.03 0.68 0.14 119.66 119.11 2kqn s GLN 89 Ca 0.07 0.12 -0.06 0.00 0.04 0.00 0.00 55.36 55.52 2kqn s GLN 89 Cb -0.07 0.03 -0.04 0.00 0.03 0.00 0.00 33.01 32.97 2kqn s GLN 89 CO 0.03 -0.02 0.15 1.14 -2.54 0.00 0.00 175.29 174.05 2kqn s GLN 90 N 0.09 3.44 -0.18 9.60 1.03 -1.25 -0.07 119.66 132.31 2kqn s GLN 90 Ca -0.00 -0.17 0.14 0.00 0.04 0.00 0.00 55.36 55.37 2kqn s GLN 90 Cb -0.01 -3.17 0.37 0.00 0.03 0.00 0.00 33.01 30.23 2kqn s GLN 90 CO -0.00 0.76 1.19 2.48 -2.54 0.00 0.00 175.29 177.18 2kqn n TYR 91 N 1.76 0.00 -0.00 9.60 4.11 -1.02 -4.59 117.16 127.01 2kqn n TYR 91 Ca -0.18 -1.30 -0.17 0.00 -0.00 0.00 0.00 57.90 56.24 2kqn n TYR 91 Cb 0.54 -0.21 -0.14 0.00 -0.00 0.00 0.00 39.34 39.54 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 0.63 0.28 -4.34 9.48 3.58 -1.87 -3.48 116.42 120.70 2kqn h ASP 92 Ca -0.00 -0.95 -0.16 0.00 0.42 0.00 0.00 57.03 56.34 2kqn h ASP 92 Cb 1.01 -0.09 -0.23 0.00 1.72 0.00 0.00 39.33 41.73 2kqn h ASP 92 CO 0.00 1.21 -0.46 0.21 -2.88 0.00 0.00 179.24 177.31 2kqn s ASN 93 N -6.63 -0.13 0.35 2.28 2.47 -1.26 -5.14 114.94 106.88 2kqn s ASN 93 Ca -0.16 0.16 -0.24 0.00 0.42 0.00 0.00 52.86 53.05 2kqn s ASN 93 Cb -0.00 0.33 -0.10 0.00 -1.45 0.00 0.00 41.25 40.03 2kqn s ASN 93 CO 0.77 -0.21 0.92 -0.76 -3.72 0.00 0.00 177.10 174.10 2kqn s LEU 94 N -0.56 4.21 0.44 3.21 1.43 -1.26 -4.11 118.68 122.04 2kqn s LEU 94 Ca -0.07 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 2kqn s LEU 94 Cb -0.04 -4.14 -0.06 0.00 0.03 0.00 0.00 46.19 41.98 2kqn s LEU 94 CO 0.01 -0.15 0.82 -2.16 0.23 0.00 0.00 176.35 175.10 2kqn s PRO 95 N -2.42 3.78 -0.02 1.29 0.04 -1.26 -4.78 135.00 131.62 2kqn s PRO 95 Ca 0.53 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 2kqn s PRO 95 Cb -0.15 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2kqn s PRO 95 CO 0.20 -0.13 0.52 0.71 0.04 0.00 0.00 177.00 178.35 2kqn s TYR 96 N -2.50 3.67 0.10 0.56 2.02 -1.26 -4.21 117.35 115.74 2kqn s TYR 96 Ca 0.52 1.09 0.08 0.00 -0.37 0.00 0.00 57.07 58.39 2kqn s TYR 96 Cb -0.10 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.91 2kqn s TYR 96 CO 0.34 0.40 -0.21 0.95 -1.57 0.00 0.00 175.55 175.46 2kqn s THR 97 N -0.31 1.73 -0.08 -0.71 -4.23 -1.26 -5.02 115.64 105.76 2kqn s THR 97 Ca 0.28 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.13 2kqn s THR 97 Cb -0.17 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 2kqn s THR 97 CO 0.15 -0.05 0.27 -0.36 -0.54 0.00 0.00 174.62 174.08 2kqn s PHE 98 N -1.15 3.62 -1.17 3.99 0.08 -1.26 -3.93 117.98 118.16 2kqn s PHE 98 Ca 0.07 0.72 -0.16 0.00 0.12 0.00 0.00 56.93 57.68 2kqn s PHE 98 Cb -0.10 -2.14 0.14 0.00 -0.57 0.00 0.00 43.02 40.35 2kqn s PHE 98 CO 0.04 0.61 1.43 0.20 -0.10 0.00 0.00 175.22 177.41 2kqn s GLY 99 N -0.78 2.16 -0.13 4.36 0.00 0.12 -4.70 107.32 108.35 2kqn s GLY 99 Ca 0.18 -3.14 0.06 0.00 0.00 0.00 0.00 44.72 41.82 2kqn s GLY 99 CO 0.07 2.18 1.15 0.61 0.00 0.00 0.00 173.10 177.11 2kqn n GLN 100 N 6.37 2.68 0.00 2.90 -0.00 -1.26 -3.40 117.38 124.67 2kqn n GLN 100 Ca 0.36 -1.49 0.07 0.00 -0.00 0.00 0.00 57.00 55.94 2kqn n GLN 100 Cb 0.45 -1.82 0.42 0.00 -0.00 0.00 0.00 30.24 29.28 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 0.21 -0.72 2.99 2.61 0.00 -1.26 -4.74 105.19 104.29 2kqn n GLY 101 Ca 0.15 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 1.04 -0.19 2.61 2.01 -1.25 -2.96 115.64 114.91 2kqn s THR 102 Ca 0.21 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2kqn s THR 102 Cb 0.10 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.65 2kqn s THR 102 CO 0.16 0.34 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.50 2kqn s LYS 103 N 0.85 3.00 -0.08 4.92 2.36 -0.60 -3.02 119.74 127.16 2kqn s LYS 103 Ca -0.11 -0.83 -0.09 0.00 -2.55 0.00 0.00 55.97 52.38 2kqn s LYS 103 Cb -0.15 -2.61 -0.05 0.00 -1.05 0.00 0.00 37.83 33.97 2kqn s LYS 103 CO 0.02 -0.22 0.22 -1.17 1.55 0.00 0.00 175.35 175.75 2kqn s LEU 104 N 1.30 4.42 0.04 5.43 1.98 -0.79 -1.53 118.68 129.52 2kqn s LEU 104 Ca 0.05 0.62 -0.00 0.00 -2.89 0.00 0.00 54.13 51.90 2kqn s LEU 104 Cb -0.13 -2.23 -0.03 0.00 0.66 0.00 0.00 46.19 44.46 2kqn s LEU 104 CO -0.12 0.38 -0.04 -1.61 -1.89 0.00 0.00 176.35 173.07 2kqn s GLU 105 N -1.03 0.52 -0.19 1.98 2.02 -0.85 -3.66 118.70 117.50 2kqn s GLU 105 Ca 0.18 -0.98 -0.18 0.00 0.02 0.00 0.00 54.97 54.00 2kqn s GLU 105 Cb -0.13 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 2kqn s GLU 105 CO 0.07 -0.07 0.51 0.42 0.02 0.00 0.00 175.26 176.21 2kqn s ILE 106 N -2.84 5.12 0.24 -1.63 -1.09 -1.23 -0.08 121.20 119.68 2kqn s ILE 106 Ca -0.02 0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 59.06 2kqn s ILE 106 Cb 0.00 -3.84 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2kqn s ILE 106 CO -0.06 0.20 1.24 -0.54 -1.23 0.00 0.00 174.94 174.56 2kqn s LYS 107 N 1.47 4.45 0.00 2.79 1.02 -0.32 -4.83 119.74 124.32 2kqn s LYS 107 Ca 0.24 2.00 0.08 0.00 0.02 0.00 0.00 55.97 58.31 2kqn s LYS 107 Cb -0.15 -3.18 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2kqn s LYS 107 CO 0.10 -0.12 0.75 0.54 -0.92 0.00 0.00 175.35 175.70