#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 5.24 -0.16 5.18 1.01 -1.26 -4.73 121.20 126.48 2kqn s ILE 2 Ca 0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 2kqn s ILE 2 Cb 0.00 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2kqn s ILE 2 CO 0.00 -0.45 0.81 -1.58 0.00 0.00 0.00 174.94 173.72 2kqn s GLN 3 N 1.67 4.31 -0.44 2.79 -0.44 -1.26 -4.61 119.66 121.68 2kqn s GLN 3 Ca 0.05 0.99 -0.11 0.00 -2.50 0.00 0.00 55.36 53.79 2kqn s GLN 3 Cb -0.22 -3.56 0.08 0.00 -1.64 0.00 0.00 33.01 27.67 2kqn s GLN 3 CO 0.08 -0.28 0.31 -1.64 0.50 0.00 0.00 175.29 174.26 2kqn s MET 4 N 2.00 2.71 -0.30 1.67 -1.94 -1.26 -0.72 119.30 121.46 2kqn s MET 4 Ca 0.38 -1.45 -0.21 0.00 -1.71 0.00 0.00 55.69 52.71 2kqn s MET 4 Cb -0.17 -3.90 -0.01 0.00 2.01 0.00 0.00 34.83 32.77 2kqn s MET 4 CO 0.13 -0.99 0.65 0.99 -0.01 0.00 0.00 175.02 175.78 2kqn s THR 5 N 1.49 4.93 -0.14 2.05 2.01 0.10 -4.04 115.64 122.04 2kqn s THR 5 Ca 0.03 0.92 -0.00 0.00 0.31 0.00 0.00 61.69 62.96 2kqn s THR 5 Cb -0.24 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 2kqn s THR 5 CO 0.03 -0.13 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.12 2kqn s GLN 6 N 2.63 3.35 0.07 4.92 0.74 -1.26 0.15 119.66 130.25 2kqn s GLN 6 Ca 0.26 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 55.01 2kqn s GLN 6 Cb -0.15 -2.64 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 2kqn s GLN 6 CO 0.11 0.16 -0.10 -1.12 -0.55 0.00 0.00 175.29 173.79 2kqn s SER 7 N 0.48 1.27 0.83 6.67 0.01 0.38 -4.17 113.70 119.17 2kqn s SER 7 Ca -0.09 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.41 2kqn s SER 7 Cb -0.16 0.00 0.12 0.00 0.21 0.00 0.00 66.02 66.20 2kqn s SER 7 CO 0.04 -0.18 1.18 -2.16 0.41 0.00 0.00 173.24 172.53 2kqn s PRO 8 N -1.97 1.53 0.36 12.44 0.04 -1.26 -0.53 135.00 145.62 2kqn s PRO 8 Ca -0.03 -0.24 0.04 0.00 0.04 0.00 0.00 61.00 60.81 2kqn s PRO 8 Cb -0.08 -1.99 0.69 0.00 0.04 0.00 0.00 34.50 33.17 2kqn s PRO 8 CO 0.01 -1.79 1.98 0.66 0.04 0.00 0.00 177.00 177.89 2kqn h SER 9 N -1.12 0.56 -4.28 6.66 4.64 -1.76 -3.34 113.55 114.90 2kqn h SER 9 Ca -0.44 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 2kqn h SER 9 Cb 1.29 -0.14 -0.21 0.00 -0.31 0.00 0.00 62.40 63.02 2kqn h SER 9 CO 0.53 0.48 0.25 -0.94 -0.87 0.00 0.00 176.83 176.29 2kqn s SER 10 N -6.64 -0.62 -0.16 4.97 1.04 -1.26 -1.32 113.70 109.70 2kqn s SER 10 Ca -0.09 0.95 -0.11 0.00 0.48 0.00 0.00 55.95 57.19 2kqn s SER 10 Cb 0.17 0.88 0.05 0.00 0.10 0.00 0.00 66.02 67.22 2kqn s SER 10 CO 0.75 -0.39 0.40 -1.48 0.98 0.00 0.00 173.24 173.51 2kqn s LEU 11 N -0.44 0.12 -0.15 2.42 2.34 -0.08 -4.91 118.68 117.97 2kqn s LEU 11 Ca -0.04 0.85 -0.02 0.00 0.06 0.00 0.00 54.13 54.98 2kqn s LEU 11 Cb -0.02 1.35 -0.02 0.00 -0.56 0.00 0.00 46.19 46.93 2kqn s LEU 11 CO 0.03 -0.17 -0.08 -0.44 -1.06 0.00 0.00 176.35 174.64 2kqn s SER 12 N 0.96 4.41 0.06 1.48 0.01 -1.26 -2.02 113.70 117.34 2kqn s SER 12 Ca -0.06 -0.25 -0.05 0.00 1.31 0.00 0.00 55.95 56.91 2kqn s SER 12 Cb -0.06 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 2kqn s SER 12 CO -0.08 0.14 0.08 0.00 0.41 0.00 0.00 173.24 173.80 2kqn s ALA 13 N 0.51 0.08 0.25 1.44 0.00 0.80 -4.83 121.76 120.01 2kqn s ALA 13 Ca -0.06 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2kqn s ALA 13 Cb -0.15 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2kqn s ALA 13 CO 0.03 -0.40 0.32 0.45 0.00 0.00 0.00 175.76 176.16 2kqn s SER 14 N -2.63 6.07 -0.06 0.00 0.15 -1.26 -2.35 113.70 113.62 2kqn s SER 14 Ca 0.02 -0.04 -0.38 0.00 0.70 0.00 0.00 55.95 56.25 2kqn s SER 14 Cb 0.04 -1.70 -0.16 0.00 -1.71 0.00 0.00 66.02 62.49 2kqn s SER 14 CO -0.08 -0.08 1.51 0.52 1.20 0.00 0.00 173.24 176.31 2kqn n VAL 15 N -1.35 0.13 0.00 4.45 0.31 -1.26 -0.72 118.33 119.89 2kqn n VAL 15 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2kqn n VAL 15 Cb 0.57 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 3.22 2.70 3.82 2.92 0.00 -0.05 -4.90 105.19 112.90 2kqn n GLY 16 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.85 6.94 -0.20 1.61 1.01 0.10 -4.50 116.67 120.78 2kqn s ASP 17 Ca 0.00 1.65 -0.15 0.00 0.71 0.00 0.00 52.55 54.76 2kqn s ASP 17 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2kqn s ASP 17 CO 0.00 -0.33 0.37 -0.60 0.21 0.00 0.00 175.17 174.82 2kqn s ARG 18 N -3.10 4.17 0.00 8.23 3.52 -1.26 -0.18 118.95 130.34 2kqn s ARG 18 Ca 0.60 0.15 0.05 0.00 -0.13 0.00 0.00 55.73 56.41 2kqn s ARG 18 Cb -0.10 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2kqn s ARG 18 CO 0.14 -0.00 -0.15 0.08 -0.81 0.00 0.00 175.30 174.56 2kqn s VAL 19 N 1.20 2.99 -0.04 7.11 1.01 -0.60 -4.96 120.40 127.10 2kqn s VAL 19 Ca 0.18 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2kqn s VAL 19 Cb -0.14 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2kqn s VAL 19 CO 0.07 0.44 -0.19 0.28 0.00 0.00 0.00 175.10 175.71 2kqn s THR 20 N -0.86 1.55 0.00 3.92 -1.32 -1.26 -0.30 115.64 117.37 2kqn s THR 20 Ca 0.14 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 59.87 2kqn s THR 20 Cb -0.11 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.55 2kqn s THR 20 CO 0.04 0.44 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.15 2kqn s ILE 21 N -0.04 0.86 -0.02 5.08 1.01 0.11 -4.64 121.20 123.56 2kqn s ILE 21 Ca -0.03 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.11 2kqn s ILE 21 Cb -0.12 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2kqn s ILE 21 CO 0.02 0.18 -0.16 -0.89 0.00 0.00 0.00 174.94 174.09 2kqn s THR 22 N -0.38 1.28 -0.08 2.92 2.01 0.32 0.17 115.64 121.87 2kqn s THR 22 Ca 0.03 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.40 2kqn s THR 22 Cb -0.05 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2kqn s THR 22 CO -0.00 0.37 -0.21 0.00 -0.69 0.00 0.00 174.62 174.09 2kqn s GLN 24 N 0.03 1.71 0.04 0.00 -0.21 0.12 -0.59 119.66 120.76 2kqn s GLN 24 Ca -0.08 -0.36 -0.08 0.00 0.02 0.00 0.00 55.36 54.86 2kqn s GLN 24 Cb -0.15 -1.60 -0.05 0.00 1.00 0.00 0.00 33.01 32.20 2kqn s GLN 24 CO 0.05 -0.16 0.34 0.00 -2.12 0.00 0.00 175.29 173.41 2kqn s ALA 25 N 1.30 3.78 -0.16 6.09 0.00 0.68 0.01 121.76 133.46 2kqn s ALA 25 Ca -0.02 -0.46 0.29 0.00 0.00 0.00 0.00 51.96 51.76 2kqn s ALA 25 Cb -0.14 -2.18 0.94 0.00 0.00 0.00 0.00 23.12 21.74 2kqn s ALA 25 CO -0.04 0.60 1.82 1.03 0.00 0.00 0.00 175.76 179.17 2kqn h SER 26 N 3.88 0.00 -4.78 0.00 0.87 -1.25 -3.44 113.55 108.83 2kqn h SER 26 Ca -0.50 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 59.89 2kqn h SER 26 Cb 1.20 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.94 2kqn h SER 26 CO 0.66 0.00 -0.63 -1.58 -0.53 0.00 0.00 176.83 174.75 2kqn s GLN 27 N -3.46 0.32 0.27 2.24 0.74 -1.26 -4.92 119.66 113.59 2kqn s GLN 27 Ca 0.04 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.73 2kqn s GLN 27 Cb 0.08 0.13 -0.09 0.00 1.10 0.00 0.00 33.01 34.22 2kqn s GLN 27 CO 0.59 -0.06 0.96 0.16 -0.55 0.00 0.00 175.29 176.39 2kqn s ASP 28 N -1.19 7.51 -0.16 6.67 -4.77 -1.26 -4.70 116.67 118.77 2kqn s ASP 28 Ca -0.13 1.96 0.16 0.00 -3.30 0.00 0.00 52.55 51.25 2kqn s ASP 28 Cb -0.08 -2.60 0.37 0.00 -1.09 0.00 0.00 42.92 39.52 2kqn s ASP 28 CO -0.00 0.06 1.23 2.30 0.70 0.00 0.00 175.17 179.46 2kqn n ILE 29 N 1.21 2.06 0.00 2.11 -5.35 -0.98 -4.98 119.36 113.43 2kqn n ILE 29 Ca -0.01 -2.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.06 2kqn n ILE 29 Cb 0.47 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.20 0.00 -0.11 7.28 4.13 -1.26 -1.49 115.26 122.60 2kqn n ASN 30 Ca 0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.45 2kqn n ASN 30 Cb 0.72 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.96 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2kqn n ASN 31 N 1.57 0.00 -4.55 6.41 6.94 -1.26 -0.22 115.26 124.15 2kqn n ASN 31 Ca 0.00 -0.62 -0.43 0.00 -0.02 0.00 0.00 54.58 53.51 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 2.86 0.02 -2.53 2.02 -0.56 -2.92 117.35 116.25 2kqn s TYR 32 Ca 0.00 -1.54 0.05 0.00 -0.37 0.00 0.00 57.07 55.21 2kqn s TYR 32 Cb 0.00 -4.65 -0.02 0.00 -0.40 0.00 0.00 41.96 36.89 2kqn s TYR 32 CO 0.00 -1.76 -0.14 -1.17 -1.57 0.00 0.00 175.55 170.92 2kqn s LEU 33 N 3.89 2.12 -0.02 -1.29 2.96 -1.26 -2.53 118.68 122.55 2kqn s LEU 33 Ca 0.50 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 2kqn s LEU 33 Cb 0.02 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 2kqn s LEU 33 CO 0.02 0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.30 2kqn s ILE 34 N -0.65 1.57 -0.11 6.68 1.01 0.18 -0.43 121.20 129.46 2kqn s ILE 34 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 2kqn s ILE 34 Cb -0.07 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2kqn s ILE 34 CO 0.01 0.45 -0.10 0.26 0.00 0.00 0.00 174.94 175.55 2kqn s TRP 35 N -0.47 2.86 0.21 3.97 0.52 0.21 0.11 118.94 126.35 2kqn s TRP 35 Ca 0.08 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 55.90 2kqn s TRP 35 Cb -0.08 -1.81 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 2kqn s TRP 35 CO -0.01 -0.02 -0.15 0.71 0.02 0.00 0.00 176.95 177.50 2kqn s TYR 36 N -0.01 1.78 -0.11 -1.98 1.51 -0.41 -0.18 117.35 117.95 2kqn s TYR 36 Ca -0.02 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2kqn s TYR 36 Cb -0.14 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2kqn s TYR 36 CO 0.04 0.40 -0.17 1.14 -1.11 0.00 0.00 175.55 175.85 2kqn s GLN 37 N -3.61 2.38 -0.50 -0.62 -2.07 0.09 -2.33 119.66 113.00 2kqn s GLN 37 Ca 0.23 -0.62 -0.18 0.00 -1.82 0.00 0.00 55.36 52.97 2kqn s GLN 37 Cb -0.01 -1.99 0.07 0.00 -1.09 0.00 0.00 33.01 29.99 2kqn s GLN 37 CO 0.08 -0.04 0.56 -1.14 -1.32 0.00 0.00 175.29 173.43 2kqn s GLN 38 N 0.91 3.07 -0.37 9.60 -0.44 0.94 -0.47 119.66 132.90 2kqn s GLN 38 Ca -0.08 -1.09 -0.21 0.00 -2.50 0.00 0.00 55.36 51.48 2kqn s GLN 38 Cb -0.15 -4.13 0.01 0.00 -1.64 0.00 0.00 33.01 27.10 2kqn s GLN 38 CO -0.01 -1.19 0.69 0.15 0.50 0.00 0.00 175.29 175.43 2kqn s LYS 39 N 2.30 3.64 -0.06 1.67 -0.14 -1.26 -2.76 119.74 123.14 2kqn s LYS 39 Ca 0.11 0.08 -0.34 0.00 -1.36 0.00 0.00 55.97 54.46 2kqn s LYS 39 Cb -0.21 -3.83 -0.12 0.00 -1.68 0.00 0.00 37.83 31.99 2kqn s LYS 39 CO 0.10 -0.82 1.85 -2.30 -0.76 0.00 0.00 175.35 173.41 2kqn n PRO 40 N 6.22 2.18 0.00 -1.68 -0.02 -1.26 -1.60 135.00 138.85 2kqn n PRO 40 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2kqn n PRO 40 Cb 0.48 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 4.29 2.36 3.36 -1.23 0.00 -1.26 -5.06 105.19 107.65 2kqn n GLY 41 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.27 1.41 0.63 1.61 -2.07 -0.62 -5.13 119.66 115.20 2kqn s GLN 42 Ca 0.00 -1.72 -0.17 0.00 -1.82 0.00 0.00 55.36 51.65 2kqn s GLN 42 Cb 0.00 -0.71 -0.02 0.00 -1.09 0.00 0.00 33.01 31.20 2kqn s GLN 42 CO 0.00 -0.10 1.16 0.00 -1.32 0.00 0.00 175.29 175.03 2kqn s ALA 43 N -3.36 2.48 0.26 2.60 0.00 -1.26 -4.43 121.76 118.04 2kqn s ALA 43 Ca 0.30 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 2kqn s ALA 43 Cb 0.06 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 2kqn s ALA 43 CO 0.10 -1.23 1.58 -0.35 0.00 0.00 0.00 175.76 175.86 2kqn n PRO 44 N -1.99 2.55 -3.51 0.00 -0.04 -1.26 -4.50 135.00 126.24 2kqn n PRO 44 Ca 0.12 0.91 -0.37 0.00 -0.04 0.00 0.00 63.50 64.12 2kqn n PRO 44 Cb 0.51 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.22 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 -0.10 4.26 -0.10 0.54 2.20 0.38 -4.87 119.74 122.06 2kqn s LYS 45 Ca 0.68 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 2kqn s LYS 45 Cb -0.54 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2kqn s LYS 45 CO 0.45 0.20 1.38 -1.17 -0.36 0.00 0.00 175.35 175.86 2kqn s LEU 46 N 0.57 4.25 -0.16 5.43 0.20 -1.26 -0.73 118.68 126.97 2kqn s LEU 46 Ca 0.17 1.91 -0.12 0.00 0.69 0.00 0.00 54.13 56.78 2kqn s LEU 46 Cb -0.13 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.02 2kqn s LEU 46 CO 0.05 -0.79 -0.26 -0.11 -0.29 0.00 0.00 176.35 174.95 2kqn n LEU 47 N 6.46 1.58 -4.06 -0.68 7.94 0.75 -4.83 117.00 124.17 2kqn n LEU 47 Ca 0.14 0.27 -0.20 0.00 -1.11 0.00 0.00 56.01 55.11 2kqn n LEU 47 Cb 0.44 -0.62 -0.15 0.00 0.53 0.00 0.00 43.42 43.62 2kqn n LEU 47 CO 0.58 0.03 -0.45 -0.63 -1.11 0.00 0.00 177.39 175.81 2kqn s ILE 48 N -2.52 0.88 0.22 1.96 1.01 -1.01 -1.98 121.20 119.76 2kqn s ILE 48 Ca -0.25 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2kqn s ILE 48 Cb 0.07 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 2kqn s ILE 48 CO 0.34 0.25 0.03 -0.72 0.00 0.00 0.00 174.94 174.84 2kqn s TYR 49 N -0.26 1.46 -2.10 3.97 -0.85 0.13 0.67 117.35 120.38 2kqn s TYR 49 Ca 0.04 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 55.57 2kqn s TYR 49 Cb -0.04 -0.85 0.00 0.00 0.38 0.00 0.00 41.96 41.44 2kqn s TYR 49 CO -0.00 -0.17 0.00 -3.47 -1.52 0.00 0.00 175.55 170.39 2kqn n ASP 50 N -0.39 -5.65 0.00 -0.18 2.03 -0.37 -0.20 116.55 111.79 2kqn n ASP 50 Ca -0.04 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2kqn n ASP 50 Cb 0.64 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 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 0.40 0.00 -0.20 -1.67 0.00 0.43 -4.29 120.51 115.17 2kqn n ALA 51 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2kqn n ALA 51 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 1.20 1.22 -4.55 0.00 2.88 -1.19 -3.72 113.62 109.47 2kqn n SER 52 Ca 0.00 -1.43 -0.36 0.00 -1.33 0.00 0.00 58.87 55.76 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 -0.43 4.65 0.13 2.46 2.01 0.72 -4.79 115.64 120.40 2kqn s THR 53 Ca 0.00 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2kqn s THR 53 Cb 0.00 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 2kqn s THR 53 CO 0.00 0.38 0.90 -0.76 -0.69 0.00 0.00 174.62 174.45 2kqn s LEU 54 N 1.09 4.53 0.52 4.42 1.02 -1.26 0.22 118.68 129.23 2kqn s LEU 54 Ca 0.05 1.75 -0.20 0.00 0.02 0.00 0.00 54.13 55.74 2kqn s LEU 54 Cb -0.14 -3.50 -0.06 0.00 0.02 0.00 0.00 46.19 42.51 2kqn s LEU 54 CO 0.03 0.02 1.14 -0.70 0.02 0.00 0.00 176.35 176.87 2kqn s GLU 55 N -0.36 3.44 0.03 1.70 2.56 -0.84 -4.91 118.70 120.32 2kqn s GLU 55 Ca 0.43 1.65 -0.30 0.00 0.00 0.00 0.00 54.97 56.76 2kqn s GLU 55 Cb -0.23 -2.10 -0.08 0.00 2.00 0.00 0.00 34.13 33.72 2kqn s GLU 55 CO 0.29 -0.79 1.91 0.99 -0.56 0.00 0.00 175.26 177.10 2kqn s THR 56 N -1.71 3.08 0.00 -1.70 2.01 -1.26 -1.16 115.64 114.89 2kqn s THR 56 Ca 0.71 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2kqn s THR 56 Cb -0.25 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2kqn s THR 56 CO 0.29 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 2kqn n GLY 57 N 4.45 2.10 3.66 4.40 0.00 -1.26 -5.07 105.19 113.48 2kqn n GLY 57 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 4.38 0.54 1.61 1.01 -0.31 -5.00 120.40 120.37 2kqn s VAL 58 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.44 2kqn s VAL 58 Cb 0.00 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 2kqn s VAL 58 CO 0.00 -0.13 1.08 -2.65 0.00 0.00 0.00 175.10 173.40 2kqn n PRO 59 N 6.40 1.22 0.00 2.72 -0.02 -1.26 -4.86 135.00 139.20 2kqn n PRO 59 Ca 0.13 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 2kqn n PRO 59 Cb 0.45 -2.24 0.23 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.51 0.00 0.18 2.55 7.64 -1.26 -2.01 113.62 120.20 2kqn n SER 60 Ca 0.12 0.30 0.05 0.00 1.01 0.00 0.00 58.87 60.35 2kqn n SER 60 Cb 0.45 -0.38 0.50 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.13 -5.93 1.43 2.47 -1.93 -3.42 114.38 107.13 2kqn h ARG 61 Ca 0.00 -0.02 -0.59 0.00 -1.26 0.00 0.00 59.98 58.11 2kqn h ARG 61 Cb 0.13 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.36 2kqn h ARG 61 CO 0.00 0.21 -0.16 -0.06 0.56 0.00 0.00 179.97 180.52 2kqn s PHE 62 N -4.89 3.66 -0.11 3.04 0.08 -0.85 0.31 117.98 119.22 2kqn s PHE 62 Ca -0.05 0.99 -0.09 0.00 0.12 0.00 0.00 56.93 57.90 2kqn s PHE 62 Cb 0.16 -2.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2kqn s PHE 62 CO 0.70 0.46 0.28 -1.12 -0.10 0.00 0.00 175.22 175.44 2kqn s SER 63 N -0.44 -0.30 -0.04 1.36 0.01 -0.40 -4.98 113.70 108.92 2kqn s SER 63 Ca 0.25 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.13 2kqn s SER 63 Cb -0.16 0.56 -0.00 0.00 0.21 0.00 0.00 66.02 66.62 2kqn s SER 63 CO 0.13 -0.11 -0.16 -0.83 0.41 0.00 0.00 173.24 172.67 2kqn s GLY 64 N 0.39 0.86 -0.08 3.44 0.00 -1.26 -0.24 107.32 110.42 2kqn s GLY 64 Ca -0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 2kqn s GLY 64 CO -0.02 -0.36 0.20 -0.56 0.00 0.00 0.00 173.10 172.36 2kqn s SER 65 N -0.01 -0.20 0.00 1.64 0.01 0.62 -3.93 113.70 111.82 2kqn s SER 65 Ca -0.02 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2kqn s SER 65 Cb -0.10 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2kqn s SER 65 CO 0.01 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2kqn n GLY 66 N 3.77 0.73 3.53 3.44 0.00 -1.26 0.02 105.19 115.41 2kqn n GLY 66 Ca -0.21 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.65 0.00 1.61 1.04 -0.27 -4.80 113.70 110.63 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 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2kqn n GLY 68 N 2.57 1.55 0.03 7.32 0.00 0.70 -2.87 105.19 114.49 2kqn n GLY 68 Ca -0.14 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.08 2.61 -2.24 -1.26 -2.31 114.28 107.39 2kqn n THR 69 Ca 0.00 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2kqn n THR 69 Cb 0.00 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.30 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 3.71 -0.03 -0.78 2.02 -1.14 -0.23 118.70 120.12 2kqn s GLU 70 Ca -0.06 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.47 2kqn s GLU 70 Cb 0.02 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.16 2kqn s GLU 70 CO 0.20 0.08 -0.03 -0.06 0.02 0.00 0.00 175.26 175.47 2kqn s PHE 71 N 0.83 0.53 -0.08 1.61 0.08 0.24 -1.12 117.98 120.07 2kqn s PHE 71 Ca 0.01 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.00 2kqn s PHE 71 Cb -0.14 -0.50 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 2kqn s PHE 71 CO 0.02 -0.13 -0.23 0.99 -0.10 0.00 0.00 175.22 175.77 2kqn s THR 72 N 0.78 2.24 -0.15 0.64 2.01 0.10 -0.32 115.64 120.94 2kqn s THR 72 Ca -0.09 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 60.93 2kqn s THR 72 Cb -0.12 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 2kqn s THR 72 CO -0.01 0.56 -0.15 0.12 -0.69 0.00 0.00 174.62 174.45 2kqn s PHE 73 N 0.04 2.77 -0.06 4.92 5.36 0.13 -0.28 117.98 130.86 2kqn s PHE 73 Ca -0.09 -1.02 0.02 0.00 -0.96 0.00 0.00 56.93 54.88 2kqn s PHE 73 Cb -0.15 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 2kqn s PHE 73 CO 0.06 -0.46 -0.11 0.99 -1.46 0.00 0.00 175.22 174.24 2kqn s THR 74 N 0.77 1.03 -0.37 0.12 2.01 0.66 0.10 115.64 119.97 2kqn s THR 74 Ca -0.06 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 2kqn s THR 74 Cb -0.15 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 2kqn s THR 74 CO 0.01 0.33 0.30 -0.63 -0.69 0.00 0.00 174.62 173.94 2kqn s ILE 75 N 0.70 5.24 0.30 1.82 1.01 0.59 -1.28 121.20 129.59 2kqn s ILE 75 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2kqn s ILE 75 Cb -0.16 -3.83 0.28 0.00 0.01 0.00 0.00 42.46 38.76 2kqn s ILE 75 CO 0.03 -0.16 1.93 -1.28 0.00 0.00 0.00 174.94 175.47 2kqn h SER 76 N 8.55 0.91 -2.33 3.58 0.87 -0.42 -1.59 113.55 123.12 2kqn h SER 76 Ca -0.29 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.15 2kqn h SER 76 Cb 1.14 -0.20 -0.28 0.00 -0.44 0.00 0.00 62.40 62.61 2kqn h SER 76 CO 0.69 0.61 -0.41 -0.55 -0.53 0.00 0.00 176.83 176.64 2kqn s SER 77 N -6.11 -0.08 0.29 6.23 0.15 -1.26 -4.11 113.70 108.81 2kqn s SER 77 Ca -0.11 0.74 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 2kqn s SER 77 Cb 0.19 1.25 -0.11 0.00 -1.71 0.00 0.00 66.02 65.64 2kqn s SER 77 CO 0.80 -0.25 1.59 -0.22 1.20 0.00 0.00 173.24 176.36 2kqn s LEU 78 N 2.58 4.35 0.16 3.45 1.98 0.74 -4.73 118.68 127.21 2kqn s LEU 78 Ca 0.03 2.94 0.07 0.00 -2.89 0.00 0.00 54.13 54.28 2kqn s LEU 78 Cb -0.13 -3.63 -0.04 0.00 0.66 0.00 0.00 46.19 43.05 2kqn s LEU 78 CO -0.13 -0.91 -0.00 -1.10 -1.89 0.00 0.00 176.35 172.31 2kqn s GLN 79 N -0.47 2.43 0.19 1.98 -1.52 -1.26 -0.87 119.66 120.14 2kqn s GLN 79 Ca 0.63 -1.05 -0.12 0.00 -1.95 0.00 0.00 55.36 52.88 2kqn s GLN 79 Cb -0.48 -2.40 0.12 0.00 -0.22 0.00 0.00 33.01 30.03 2kqn s GLN 79 CO 0.48 0.47 1.84 -1.35 -0.25 0.00 0.00 175.29 176.48 2kqn h PRO 80 N 2.86 0.90 0.00 2.91 0.11 -1.97 -2.14 132.00 134.68 2kqn h PRO 80 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2kqn h PRO 80 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kqn h PRO 80 CO 0.58 0.63 0.00 -0.85 -0.21 0.00 0.00 178.00 178.15 2kqn n GLU 81 N -4.58 0.64 -0.30 1.05 0.28 -1.26 -3.52 120.64 112.96 2kqn n GLU 81 Ca 0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.18 2kqn n GLU 81 Cb 0.05 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 31.70 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 -1.17 3.70 -4.67 -1.84 8.00 -0.80 -4.88 116.55 114.89 2kqn n ASP 82 Ca 0.18 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 2kqn n ASP 82 Cb 0.18 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.20 4.33 0.07 0.64 0.20 -1.23 -4.90 118.68 116.59 2kqn s LEU 83 Ca 0.45 2.28 -0.27 0.00 0.69 0.00 0.00 54.13 57.27 2kqn s LEU 83 Cb 0.24 -3.55 0.09 0.00 -0.43 0.00 0.00 46.19 42.55 2kqn s LEU 83 CO 0.33 -0.87 1.14 0.00 -0.29 0.00 0.00 176.35 176.65 2kqn s ALA 84 N 3.34 -1.97 -0.26 5.97 0.00 -1.26 -4.87 121.76 122.72 2kqn s ALA 84 Ca 0.72 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 2kqn s ALA 84 Cb -0.35 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2kqn s ALA 84 CO 0.30 -1.06 0.79 0.99 0.00 0.00 0.00 175.76 176.78 2kqn s THR 85 N -2.72 4.84 -0.05 0.00 2.01 -1.11 -2.77 115.64 115.84 2kqn s THR 85 Ca 0.15 1.41 -0.07 0.00 0.31 0.00 0.00 61.69 63.49 2kqn s THR 85 Cb 0.02 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2kqn s THR 85 CO -0.00 -0.11 0.21 -0.31 -0.69 0.00 0.00 174.62 173.71 2kqn s TYR 86 N 2.84 3.60 0.24 4.92 2.02 -1.13 -0.04 117.35 129.79 2kqn s TYR 86 Ca 0.33 0.55 -0.15 0.00 -0.37 0.00 0.00 57.07 57.43 2kqn s TYR 86 Cb -0.15 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2kqn s TYR 86 CO 0.09 0.68 0.52 1.52 -1.57 0.00 0.00 175.55 176.79 2kqn s TYR 87 N -1.16 0.16 -0.02 2.71 -0.85 -0.99 -4.04 117.35 113.16 2kqn s TYR 87 Ca 0.22 -0.54 0.04 0.00 -0.52 0.00 0.00 57.07 56.27 2kqn s TYR 87 Cb -0.13 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 2kqn s TYR 87 CO 0.11 -1.01 -0.14 0.00 -1.52 0.00 0.00 175.55 172.99 2kqn s GLN 89 N -0.20 3.14 0.03 0.00 2.00 0.12 -1.08 119.66 123.67 2kqn s GLN 89 Ca 0.03 -0.79 -0.00 0.00 -2.00 0.00 0.00 55.36 52.59 2kqn s GLN 89 Cb -0.07 -2.54 -0.04 0.00 0.80 0.00 0.00 33.01 31.16 2kqn s GLN 89 CO 0.00 0.02 0.17 1.14 -0.50 0.00 0.00 175.29 176.11 2kqn s GLN 90 N 0.78 3.31 -0.07 1.67 1.03 -1.25 0.52 119.66 125.65 2kqn s GLN 90 Ca -0.07 -0.45 0.15 0.00 0.04 0.00 0.00 55.36 55.03 2kqn s GLN 90 Cb -0.16 -2.99 0.30 0.00 0.03 0.00 0.00 33.01 30.19 2kqn s GLN 90 CO -0.00 0.63 1.14 2.48 -2.54 0.00 0.00 175.29 176.99 2kqn n TYR 91 N 0.63 0.00 -0.03 9.60 4.11 -1.05 -4.51 117.16 125.91 2kqn n TYR 91 Ca -0.08 -0.70 -0.19 0.00 -0.00 0.00 0.00 57.90 56.93 2kqn n TYR 91 Cb 0.52 -0.15 -0.13 0.00 -0.00 0.00 0.00 39.34 39.58 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 0.58 0.21 -3.96 9.48 3.58 -1.87 -3.47 116.42 120.97 2kqn h ASP 92 Ca -0.08 -0.83 -0.33 0.00 0.42 0.00 0.00 57.03 56.21 2kqn h ASP 92 Cb 1.41 -0.07 -0.28 0.00 1.72 0.00 0.00 39.33 42.11 2kqn h ASP 92 CO 0.03 1.39 -0.76 0.21 -2.88 0.00 0.00 179.24 177.24 2kqn s ASN 93 N -6.76 0.67 0.33 2.28 2.47 -1.26 -5.14 114.94 107.52 2kqn s ASN 93 Ca -0.21 -0.12 -0.21 0.00 0.42 0.00 0.00 52.86 52.74 2kqn s ASN 93 Cb 0.02 -0.07 -0.10 0.00 -1.45 0.00 0.00 41.25 39.66 2kqn s ASN 93 CO 0.72 0.06 0.86 -0.76 -3.72 0.00 0.00 177.10 174.26 2kqn s LEU 94 N -0.19 4.18 0.58 3.21 1.43 -1.26 -4.00 118.68 122.63 2kqn s LEU 94 Ca 0.02 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.57 2kqn s LEU 94 Cb -0.02 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 2kqn s LEU 94 CO -0.00 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.31 2kqn s PRO 95 N -2.53 3.42 -0.01 1.29 0.04 -1.26 -4.96 135.00 130.99 2kqn s PRO 95 Ca 0.53 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2kqn s PRO 95 Cb -0.14 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2kqn s PRO 95 CO 0.19 -0.73 0.54 0.71 0.04 0.00 0.00 177.00 177.76 2kqn s TYR 96 N -2.48 3.68 0.01 0.56 2.02 -1.26 -4.61 117.35 115.28 2kqn s TYR 96 Ca 0.63 1.13 0.07 0.00 -0.37 0.00 0.00 57.07 58.53 2kqn s TYR 96 Cb -0.15 -2.53 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 2kqn s TYR 96 CO 0.36 0.41 -0.20 0.95 -1.57 0.00 0.00 175.55 175.49 2kqn s THR 97 N -0.35 1.61 -0.08 -0.71 -4.23 -1.26 -5.00 115.64 105.61 2kqn s THR 97 Ca 0.29 -0.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.72 2kqn s THR 97 Cb -0.18 -1.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 2kqn s THR 97 CO 0.16 0.36 0.24 -0.36 -0.54 0.00 0.00 174.62 174.48 2kqn s PHE 98 N -0.59 3.63 -0.75 3.99 0.08 -1.26 -3.75 117.98 119.34 2kqn s PHE 98 Ca 0.08 0.69 -0.23 0.00 0.12 0.00 0.00 56.93 57.58 2kqn s PHE 98 Cb -0.08 -2.09 0.06 0.00 -0.57 0.00 0.00 43.02 40.34 2kqn s PHE 98 CO 0.00 0.67 1.12 0.20 -0.10 0.00 0.00 175.22 177.11 2kqn s GLY 99 N -0.93 1.28 -0.02 4.36 0.00 -0.24 -4.84 107.32 106.93 2kqn s GLY 99 Ca 0.18 -1.86 0.07 0.00 0.00 0.00 0.00 44.72 43.11 2kqn s GLY 99 CO 0.07 2.29 1.12 0.61 0.00 0.00 0.00 173.10 177.19 2kqn n GLN 100 N 8.17 1.83 0.00 2.90 0.00 -1.26 -3.57 117.38 125.45 2kqn n GLN 100 Ca 0.05 -0.99 0.05 0.00 0.00 0.00 0.00 57.00 56.12 2kqn n GLN 100 Cb 0.47 -1.37 0.32 0.00 0.00 0.00 0.00 30.24 29.67 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 0.71 -0.61 2.86 2.61 0.00 -1.26 -4.70 105.19 104.80 2kqn n GLY 101 Ca 0.09 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 0.61 -0.13 2.61 2.01 -1.25 -2.89 115.64 114.60 2kqn s THR 102 Ca 0.16 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 2kqn s THR 102 Cb 0.07 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 2kqn s THR 102 CO 0.12 0.27 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.66 2kqn s LYS 103 N 1.42 3.36 -0.09 4.92 3.01 -0.43 -2.83 119.74 129.09 2kqn s LYS 103 Ca -0.03 -0.68 -0.03 0.00 -1.01 0.00 0.00 55.97 54.22 2kqn s LYS 103 Cb -0.13 -2.63 -0.04 0.00 -1.01 0.00 0.00 37.83 34.02 2kqn s LYS 103 CO -0.03 0.23 0.05 -1.17 0.51 0.00 0.00 175.35 174.94 2kqn s LEU 104 N 0.30 3.86 0.01 3.17 2.96 -1.11 -0.91 118.68 126.96 2kqn s LEU 104 Ca -0.10 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2kqn s LEU 104 Cb -0.16 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 2kqn s LEU 104 CO 0.05 0.38 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.81 2kqn s GLU 105 N -1.01 0.32 -0.25 1.98 2.02 -0.86 -4.11 118.70 116.80 2kqn s GLU 105 Ca 0.15 -0.33 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 2kqn s GLU 105 Cb -0.12 -0.20 -0.05 0.00 0.10 0.00 0.00 34.13 33.87 2kqn s GLU 105 CO 0.04 0.05 0.25 0.42 0.02 0.00 0.00 175.26 176.03 2kqn s ILE 106 N -0.58 5.28 0.10 -1.63 1.01 -1.24 -0.14 121.20 124.01 2kqn s ILE 106 Ca -0.04 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 2kqn s ILE 106 Cb -0.05 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 2kqn s ILE 106 CO -0.00 0.26 0.97 -0.54 0.00 0.00 0.00 174.94 175.64 2kqn s LYS 107 N 1.52 4.68 0.00 2.79 1.02 -0.99 -4.91 119.74 123.85 2kqn s LYS 107 Ca 0.11 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2kqn s LYS 107 Cb -0.15 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2kqn s LYS 107 CO 0.08 0.18 0.49 0.54 -0.92 0.00 0.00 175.35 175.72