#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou s GLN 4 N 0.00 -0.65 -0.34 1.20 -0.21 -1.26 -4.76 119.66 113.64 2qou s GLN 4 Ca 0.00 -0.36 0.05 0.00 0.02 0.00 0.00 55.36 55.07 2qou s GLN 4 Cb 0.00 -1.69 0.18 0.00 1.00 0.00 0.00 33.01 32.50 2qou s GLN 4 CO 0.00 -3.28 0.54 0.71 -2.12 0.00 0.00 175.29 171.14 2qou s TYR 5 N -3.48 -1.46 0.58 0.91 1.51 -0.12 -4.94 117.35 110.34 2qou s TYR 5 Ca 0.74 0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 57.12 2qou s TYR 5 Cb -0.05 0.13 -0.05 0.00 -0.11 0.00 0.00 41.96 41.88 2qou s TYR 5 CO 0.55 -1.08 0.99 -0.47 -1.11 0.00 0.00 175.55 174.43 2qou s TYR 6 N 2.30 3.58 -0.22 2.71 6.14 -1.26 0.16 117.35 130.76 2qou s TYR 6 Ca 0.13 1.29 -0.27 0.00 0.64 0.00 0.00 57.07 58.86 2qou s TYR 6 Cb -0.09 -2.70 0.08 0.00 0.42 0.00 0.00 41.96 39.67 2qou s TYR 6 CO -0.18 -0.56 0.80 0.20 0.64 0.00 0.00 175.55 176.44 2qou s GLY 7 N -3.87 -0.45 0.00 8.97 0.00 0.56 -4.45 107.32 108.08 2qou s GLY 7 Ca 0.55 2.03 0.00 0.00 0.00 0.00 0.00 44.72 47.30 2qou s GLY 7 CO 0.47 1.56 0.00 -1.30 0.00 0.00 0.00 173.10 173.83 2qou n THR 8 N 2.11 0.00 0.00 0.90 -2.24 -1.26 0.45 114.28 114.24 2qou n THR 8 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qou n THR 8 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2qou n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qou n GLY 9 N 1.09 2.31 3.58 3.38 0.00 -1.15 -3.09 105.19 111.31 2qou n GLY 9 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 2qou n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qou s ARG 10 N -0.63 0.90 -0.30 1.61 1.70 -1.25 0.11 118.95 121.09 2qou s ARG 10 Ca 0.00 0.74 -0.04 0.00 -0.47 0.00 0.00 55.73 55.95 2qou s ARG 10 Cb 0.00 0.43 0.17 0.00 -0.57 0.00 0.00 34.95 34.98 2qou s ARG 10 CO 0.00 -0.17 0.61 -0.98 -1.08 0.00 0.00 175.30 173.68 2qou s ARG 11 N -0.15 0.57 -0.33 3.89 1.70 -1.26 -4.71 118.95 118.66 2qou s ARG 11 Ca -0.04 1.16 -0.09 0.00 -0.47 0.00 0.00 55.73 56.29 2qou s ARG 11 Cb -0.03 0.66 0.01 0.00 -0.57 0.00 0.00 34.95 35.02 2qou s ARG 11 CO 0.04 -0.47 0.35 1.63 -1.08 0.00 0.00 175.30 175.77 2qou n LYS 12 N 5.44 -2.29 -0.65 3.89 4.01 -1.26 -3.18 118.16 124.11 2qou n LYS 12 Ca -0.05 2.04 0.00 0.00 -0.51 0.00 0.00 58.31 59.79 2qou n LYS 12 Cb 0.50 -4.92 0.00 0.00 -0.51 0.00 0.00 35.03 30.11 2qou n LYS 12 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2qou n SER 13 N -0.05 -2.92 -4.90 4.39 3.41 -1.26 -4.45 113.62 107.83 2qou n SER 13 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.39 2qou n SER 13 Cb 0.27 -2.57 0.07 0.00 -0.26 0.00 0.00 64.21 61.72 2qou n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qou s SER 14 N -1.62 4.92 -0.30 4.04 0.15 -1.19 -0.50 113.70 119.20 2qou s SER 14 Ca 0.00 0.86 -0.17 0.00 0.70 0.00 0.00 55.95 57.34 2qou s SER 14 Cb 0.00 -1.50 0.18 0.00 -1.71 0.00 0.00 66.02 62.99 2qou s SER 14 CO 0.00 -1.63 1.15 0.00 1.20 0.00 0.00 173.24 173.96 2qou s ALA 15 N -3.43 -3.27 -0.12 5.45 0.00 -1.08 -4.11 121.76 115.20 2qou s ALA 15 Ca 0.60 1.70 -0.12 0.00 0.00 0.00 0.00 51.96 54.14 2qou s ALA 15 Cb -0.11 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.71 2qou s ALA 15 CO 0.49 -1.16 0.33 0.00 0.00 0.00 0.00 175.76 175.43 2qou s ALA 16 N 2.49 -0.83 -0.08 0.00 0.00 0.29 -0.12 121.76 123.52 2qou s ALA 16 Ca -0.02 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 2qou s ALA 16 Cb -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2qou s ALA 16 CO -0.14 -0.16 0.17 1.03 0.00 0.00 0.00 175.76 176.66 2qou s ARG 17 N 0.12 3.47 0.16 0.00 0.52 -1.22 -2.93 118.95 119.07 2qou s ARG 17 Ca -0.01 -0.15 0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2qou s ARG 17 Cb -0.02 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 2qou s ARG 17 CO 0.01 0.74 -0.24 0.08 0.02 0.00 0.00 175.30 175.91 2qou s VAL 18 N -1.12 2.18 -0.41 3.52 1.01 0.17 -1.68 120.40 124.07 2qou s VAL 18 Ca 0.19 -1.86 0.04 0.00 0.00 0.00 0.00 61.98 60.35 2qou s VAL 18 Cb -0.12 -1.98 0.17 0.00 0.00 0.00 0.00 36.38 34.44 2qou s VAL 18 CO 0.09 -0.06 0.41 -0.36 0.00 0.00 0.00 175.10 175.18 2qou s PHE 19 N -1.43 0.13 0.43 5.22 0.08 -0.80 -0.32 117.98 121.29 2qou s PHE 19 Ca 0.16 -1.48 -0.25 0.00 0.12 0.00 0.00 56.93 55.47 2qou s PHE 19 Cb -0.09 -0.53 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 2qou s PHE 19 CO 0.07 -0.96 1.32 0.42 -0.10 0.00 0.00 175.22 175.97 2qou s ILE 20 N 0.72 2.51 -0.28 0.64 1.09 0.43 -1.75 121.20 124.56 2qou s ILE 20 Ca 0.26 0.44 -0.21 0.00 -1.10 0.00 0.00 60.65 60.04 2qou s ILE 20 Cb -0.05 -3.25 0.12 0.00 -1.06 0.00 0.00 42.46 38.21 2qou s ILE 20 CO -0.10 0.05 0.94 -0.75 -0.10 0.00 0.00 174.94 174.99 2qou s LYS 21 N -2.40 0.53 -0.95 2.79 2.20 0.68 -0.95 119.74 121.63 2qou s LYS 21 Ca 0.60 0.73 -0.24 0.00 -0.36 0.00 0.00 55.97 56.70 2qou s LYS 21 Cb -0.38 0.20 -0.15 0.00 -1.51 0.00 0.00 37.83 35.99 2qou s LYS 21 CO 0.49 -0.08 1.92 -0.35 -0.36 0.00 0.00 175.35 176.97 2qou n PRO 22 N 2.93 1.27 -3.15 4.03 -0.04 -1.26 0.19 135.00 138.98 2qou n PRO 22 Ca -0.15 -2.08 -0.20 0.00 -0.04 0.00 0.00 63.50 61.03 2qou n PRO 22 Cb 0.57 -3.41 -0.03 0.00 -0.04 0.00 0.00 33.50 30.58 2qou n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qou n GLY 23 N 5.39 3.95 5.21 0.55 0.00 -1.26 -4.79 105.19 114.24 2qou n GLY 23 Ca 0.46 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2qou n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qou n ASN 24 N 0.21 0.00 -0.00 1.61 2.85 -1.24 -3.21 115.26 115.48 2qou n ASN 24 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 2qou n ASN 24 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 2qou n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qou n GLY 25 N 0.00 0.05 3.53 8.20 0.00 -0.86 0.18 105.19 116.29 2qou n GLY 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2qou n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qou n LYS 26 N 0.00 0.66 -3.94 1.61 5.02 -1.20 -4.67 118.16 115.64 2qou n LYS 26 Ca 0.00 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 2qou n LYS 26 Cb 0.03 -2.76 -0.11 0.00 -0.02 0.00 0.00 35.03 32.17 2qou n LYS 26 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qou s ILE 27 N 11.09 4.66 -0.30 -0.18 1.01 -1.26 -3.03 121.20 133.18 2qou s ILE 27 Ca 1.11 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.72 2qou s ILE 27 Cb -0.55 -3.12 0.08 0.00 0.01 0.00 0.00 42.46 38.88 2qou s ILE 27 CO 0.34 0.42 0.01 -0.69 0.00 0.00 0.00 174.94 175.01 2qou s VAL 28 N 0.76 1.91 -0.44 2.92 1.01 -1.25 -2.61 120.40 122.69 2qou s VAL 28 Ca 0.04 -1.86 -0.24 0.00 0.00 0.00 0.00 61.98 59.91 2qou s VAL 28 Cb -0.13 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2qou s VAL 28 CO 0.02 -0.41 0.86 -0.63 0.00 0.00 0.00 175.10 174.94 2qou s ILE 29 N 1.14 4.57 -1.26 2.22 1.01 0.12 -0.79 121.20 128.22 2qou s ILE 29 Ca 0.04 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 2qou s ILE 29 Cb -0.19 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.92 2qou s ILE 29 CO -0.10 -0.74 0.94 0.59 0.00 0.00 0.00 174.94 175.64 2qou n ASN 30 N 6.90 -2.35 0.00 3.58 5.03 -0.93 -1.13 115.26 126.36 2qou n ASN 30 Ca 0.04 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.82 2qou n ASN 30 Cb 0.48 -4.80 0.00 0.00 -1.02 0.00 0.00 39.78 34.44 2qou n ASN 30 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2qou n GLN 31 N -4.27 -0.86 -4.31 3.52 0.00 -1.25 -4.95 117.38 105.26 2qou n GLN 31 Ca -0.25 0.21 -0.26 0.00 -0.00 0.00 0.00 57.00 56.70 2qou n GLN 31 Cb 0.66 -4.20 -0.08 0.00 0.00 0.00 0.00 30.24 26.61 2qou n GLN 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2qou s ARG 32 N -1.13 2.14 0.83 3.69 0.52 -0.28 -5.08 118.95 119.64 2qou s ARG 32 Ca 0.00 -1.96 -0.14 0.00 -0.52 0.00 0.00 55.73 53.11 2qou s ARG 32 Cb 0.00 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.63 2qou s ARG 32 CO 0.00 -0.11 0.64 0.45 0.02 0.00 0.00 175.30 176.30 2qou n SER 33 N -1.16 -0.99 -0.06 0.23 2.88 -1.26 0.12 113.62 113.38 2qou n SER 33 Ca -0.03 0.50 -0.12 0.00 -1.33 0.00 0.00 58.87 57.88 2qou n SER 33 Cb 0.65 -1.28 -0.11 0.00 -0.75 0.00 0.00 64.21 62.72 2qou n SER 33 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qou h LEU 34 N -0.93 -0.01 -3.78 2.46 5.85 -1.85 -3.33 115.31 113.72 2qou h LEU 34 Ca -0.45 -0.82 -0.34 0.00 0.84 0.00 0.00 57.88 57.12 2qou h LEU 34 Cb 1.31 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.21 2qou h LEU 34 CO 0.40 0.88 0.31 1.21 -0.34 0.00 0.00 178.44 180.90 2qou n GLU 35 N -4.66 1.93 0.00 1.25 4.07 -1.26 -3.82 120.64 118.14 2qou n GLU 35 Ca -0.09 -1.61 0.00 0.00 -0.06 0.00 0.00 57.16 55.40 2qou n GLU 35 Cb 0.40 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 2qou n GLU 35 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2qou n GLN 36 N 0.77 0.00 -0.04 5.31 -0.06 -1.25 -3.97 117.38 118.14 2qou n GLN 36 Ca 0.34 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.28 2qou n GLN 36 Cb 0.59 -0.24 0.14 0.00 -4.06 0.00 0.00 30.24 26.67 2qou n GLN 36 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 2qou h TYR 37 N 0.00 0.72 0.00 3.69 -0.00 -1.67 -3.31 116.97 116.40 2qou h TYR 37 Ca 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.73 58.54 2qou h TYR 37 Cb 0.38 -0.17 -0.07 0.00 -0.00 0.00 0.00 36.73 36.87 2qou h TYR 37 CO 0.00 0.83 -0.57 1.19 -0.00 0.00 0.00 178.16 179.60 2qou n PHE 38 N -4.11 0.00 -1.65 -3.82 3.01 -1.25 -5.08 117.46 104.55 2qou n PHE 38 Ca -0.00 -0.15 -0.42 0.00 1.01 0.00 0.00 57.45 57.88 2qou n PHE 38 Cb 0.43 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 2qou n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qou n GLY 39 N 0.01 1.78 2.40 1.37 0.00 -1.25 -2.58 105.19 106.92 2qou n GLY 39 Ca 0.02 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.76 2qou n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qou n ARG 40 N 7.64 -3.52 -4.21 1.61 1.74 -1.26 -4.84 116.66 113.82 2qou n ARG 40 Ca 0.21 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.66 2qou n ARG 40 Cb 0.41 -4.38 -0.10 0.00 -1.02 0.00 0.00 32.46 27.37 2qou n ARG 40 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2qou s GLU 41 N -4.67 0.99 0.00 5.56 2.02 -1.07 -5.01 118.70 116.53 2qou s GLU 41 Ca 0.03 -1.44 0.02 0.00 0.02 0.00 0.00 54.97 53.59 2qou s GLU 41 Cb -0.00 -0.30 0.10 0.00 0.10 0.00 0.00 34.13 34.03 2qou s GLU 41 CO 0.42 -0.05 0.36 -2.37 0.02 0.00 0.00 175.26 173.63 2qou n THR 42 N -0.15 0.00 -0.01 3.63 5.66 -1.26 -1.81 114.28 120.34 2qou n THR 42 Ca -0.09 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.90 2qou n THR 42 Cb 0.62 -0.61 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2qou n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qou n ALA 43 N -0.68 1.95 -0.18 1.79 0.00 -1.26 -4.64 120.51 117.49 2qou n ALA 43 Ca 0.01 -0.12 0.28 0.00 0.00 0.00 0.00 53.44 53.61 2qou n ALA 43 Cb 0.01 0.24 0.54 0.00 0.00 0.00 0.00 19.45 20.23 2qou n ALA 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2qou h ARG 44 N 0.00 0.00 0.13 0.00 0.11 -1.47 0.57 114.38 113.72 2qou h ARG 44 Ca -0.05 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.67 2qou h ARG 44 Cb 1.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 2qou h ARG 44 CO 0.00 0.00 -1.92 0.00 0.10 0.00 0.00 179.97 178.15 2qou h MET 45 N 0.00 0.28 -0.65 0.08 -0.00 -1.84 -3.36 114.93 109.45 2qou h MET 45 Ca 0.46 -0.48 0.13 0.00 -0.00 0.00 0.00 59.70 59.81 2qou h MET 45 Cb 2.57 0.18 -0.04 0.00 -0.00 0.00 0.00 31.60 34.31 2qou h MET 45 CO -0.00 1.20 0.44 -0.39 -0.00 0.00 0.00 176.91 178.16 2qou h VAL 46 N 0.08 0.81 0.00 -0.10 -1.51 -0.13 0.58 116.25 115.97 2qou h VAL 46 Ca -0.40 -0.10 -0.06 0.00 -1.23 0.00 0.00 66.70 64.91 2qou h VAL 46 Cb 2.05 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 2qou h VAL 46 CO 0.11 0.05 -0.30 -0.37 -1.23 0.00 0.00 177.57 175.83 2qou h VAL 47 N 0.30 0.91 0.00 7.19 -1.51 -1.60 -2.91 116.25 118.62 2qou h VAL 47 Ca 0.31 -1.18 -0.05 0.00 -1.23 0.00 0.00 66.70 64.55 2qou h VAL 47 Cb 0.80 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 2qou h VAL 47 CO -0.08 0.30 -1.66 0.54 -1.23 0.00 0.00 177.57 175.45 2qou n ARG 48 N -3.73 0.64 -0.30 5.19 1.74 0.15 -4.45 116.66 115.91 2qou n ARG 48 Ca -0.01 -0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2qou n ARG 48 Cb 0.41 -1.65 0.11 0.00 -1.02 0.00 0.00 32.46 30.31 2qou n ARG 48 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qou h GLN 49 N 0.00 0.00 0.00 5.56 4.20 0.08 0.59 115.11 125.55 2qou h GLN 49 Ca -0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2qou h GLN 49 Cb 1.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2qou h GLN 49 CO 0.01 0.00 0.00 -0.35 -0.67 0.00 0.00 178.83 177.82 2qou n PRO 50 N -5.54 0.00 -0.32 1.46 -0.04 -1.26 -3.11 135.00 126.19 2qou n PRO 50 Ca 0.13 0.22 0.35 0.00 -0.04 0.00 0.00 63.50 64.16 2qou n PRO 50 Cb 0.44 -1.19 0.75 0.00 -0.04 0.00 0.00 33.50 33.46 2qou n PRO 50 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2qou h LEU 51 N 0.00 0.00 -1.44 1.53 3.38 -1.80 0.29 115.31 117.27 2qou h LEU 51 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2qou h LEU 51 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2qou h LEU 51 CO 0.00 0.00 0.50 -0.33 0.09 0.00 0.00 178.44 178.70 2qou h GLU 52 N 0.00 0.59 -0.15 1.13 4.39 0.27 0.14 114.58 120.94 2qou h GLU 52 Ca 0.56 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.27 2qou h GLU 52 Cb 2.31 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.82 2qou h GLU 52 CO -0.01 0.39 0.14 1.25 -1.16 0.00 0.00 179.01 179.63 2qou h LEU 53 N 0.61 0.00 -4.80 1.33 7.12 -0.36 -2.68 115.31 116.53 2qou h LEU 53 Ca 0.36 0.00 -0.40 0.00 0.13 0.00 0.00 57.88 57.97 2qou h LEU 53 Cb 0.56 0.00 -0.41 0.00 -0.53 0.00 0.00 40.66 40.28 2qou h LEU 53 CO -0.13 0.00 -1.01 1.33 -0.13 0.00 0.00 178.44 178.50 2qou n VAL 54 N -4.00 1.66 -1.72 1.05 0.24 0.37 -5.10 118.33 110.82 2qou n VAL 54 Ca 0.01 -3.57 0.00 0.00 -2.04 0.00 0.00 64.34 58.73 2qou n VAL 54 Cb 0.26 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 2qou n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qou n ASP 55 N -0.46 -9.22 -3.03 -1.34 8.00 -0.56 -5.02 116.55 104.91 2qou n ASP 55 Ca 0.21 1.42 -0.05 0.00 0.71 0.00 0.00 54.79 57.08 2qou n ASP 55 Cb 0.82 -5.31 0.02 0.00 -0.02 0.00 0.00 41.12 36.63 2qou n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2qou n MET 56 N -1.08 0.78 0.00 -1.24 0.00 -1.25 -4.58 117.12 109.75 2qou n MET 56 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 57.70 56.03 2qou n MET 56 Cb 0.06 2.18 0.00 0.00 0.00 0.00 0.00 33.22 35.46 2qou n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qou n VAL 57 N -0.63 0.00 0.11 3.17 0.31 -1.21 -3.19 118.33 116.89 2qou n VAL 57 Ca -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.30 2qou n VAL 57 Cb 0.56 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.48 2qou n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qou n GLU 58 N 0.00 5.15 -0.10 5.55 1.02 -0.53 -2.04 120.64 129.68 2qou n GLU 58 Ca 0.00 -0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 56.80 2qou n GLU 58 Cb 0.00 -0.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.62 2qou n GLU 58 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qou n LYS 59 N -0.87 0.63 -3.67 3.49 4.81 0.12 -4.58 118.16 118.09 2qou n LYS 59 Ca 0.01 0.30 -0.09 0.00 -0.87 0.00 0.00 58.31 57.66 2qou n LYS 59 Cb 0.04 -1.59 -0.02 0.00 0.02 0.00 0.00 35.03 33.48 2qou n LYS 59 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2qou s LEU 60 N -7.22 -0.37 0.34 3.14 2.34 0.47 -3.65 118.68 113.73 2qou s LEU 60 Ca -0.33 -0.34 0.09 0.00 0.06 0.00 0.00 54.13 53.61 2qou s LEU 60 Cb 0.10 2.59 -0.05 0.00 -0.56 0.00 0.00 46.19 48.27 2qou s LEU 60 CO 0.59 -1.13 0.04 1.51 -1.06 0.00 0.00 176.35 176.30 2qou s ASP 61 N -2.84 4.28 0.08 1.48 1.47 0.13 -2.54 116.67 118.73 2qou s ASP 61 Ca 0.07 -0.95 0.02 0.00 1.18 0.00 0.00 52.55 52.87 2qou s ASP 61 Cb -0.03 -0.57 -0.01 0.00 -0.34 0.00 0.00 42.92 41.97 2qou s ASP 61 CO -0.02 -0.25 0.07 0.18 0.68 0.00 0.00 175.17 175.83 2qou n LEU 62 N -1.00 0.00 -4.10 2.11 7.99 -1.17 -0.23 117.00 120.60 2qou n LEU 62 Ca -0.04 -0.74 -0.15 0.00 -0.01 0.00 0.00 56.01 55.07 2qou n LEU 62 Cb 0.62 0.41 -0.12 0.00 -0.11 0.00 0.00 43.42 44.22 2qou n LEU 62 CO 0.43 -0.13 -0.42 -0.47 -1.51 0.00 0.00 177.39 175.29 2qou s TYR 63 N -2.47 0.87 0.05 -1.77 5.04 -0.72 -3.89 117.35 114.47 2qou s TYR 63 Ca 0.09 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.30 2qou s TYR 63 Cb 0.00 -0.51 -0.02 0.00 0.35 0.00 0.00 41.96 41.78 2qou s TYR 63 CO 0.07 -0.03 -0.14 0.42 -1.34 0.00 0.00 175.55 174.53 2qou s ILE 64 N -1.28 1.08 -0.30 3.14 1.09 0.03 -1.91 121.20 123.06 2qou s ILE 64 Ca -0.06 -1.11 0.19 0.00 -1.10 0.00 0.00 60.65 58.57 2qou s ILE 64 Cb -0.10 -1.01 0.47 0.00 -1.06 0.00 0.00 42.46 40.77 2qou s ILE 64 CO 0.01 -0.10 1.13 0.41 -0.10 0.00 0.00 174.94 176.29 2qou n THR 65 N 1.66 0.94 -2.13 2.92 -1.04 -0.68 -2.18 114.28 113.78 2qou n THR 65 Ca -0.19 -2.64 -0.43 0.00 -2.04 0.00 0.00 64.05 58.75 2qou n THR 65 Cb 0.54 1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 70.07 2qou n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qou s VAL 66 N -2.84 3.76 -0.33 12.58 0.11 -1.26 -3.39 120.40 129.03 2qou s VAL 66 Ca 0.25 0.90 0.16 0.00 -2.93 0.00 0.00 61.98 60.35 2qou s VAL 66 Cb 0.39 -3.65 0.44 0.00 -1.53 0.00 0.00 36.38 32.03 2qou s VAL 66 CO -0.03 -0.16 1.22 0.29 -3.33 0.00 0.00 175.10 173.10 2qou n LYS 67 N 7.21 1.33 -3.60 1.54 5.02 0.82 -4.78 118.16 125.70 2qou n LYS 67 Ca 0.17 -2.49 -0.15 0.00 -2.02 0.00 0.00 58.31 53.82 2qou n LYS 67 Cb 0.44 -0.64 -0.07 0.00 -0.02 0.00 0.00 35.03 34.74 2qou n LYS 67 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qou s GLY 68 N -2.32 -0.55 0.00 0.72 0.00 -0.90 -4.73 107.32 99.55 2qou s GLY 68 Ca 0.22 1.81 0.00 0.00 0.00 0.00 0.00 44.72 46.75 2qou s GLY 68 CO -0.05 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.17 2qou n GLY 69 N 2.19 -2.18 0.00 0.20 0.00 0.34 -2.64 105.19 103.10 2qou n GLY 69 Ca -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2qou n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qou n GLY 70 N -0.16 3.12 0.00 -0.02 0.00 -1.26 -4.65 105.19 102.22 2qou n GLY 70 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2qou n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qou n ILE 71 N 0.00 0.00 -0.27 -0.61 -0.00 -1.26 0.16 119.36 117.38 2qou n ILE 71 Ca 0.00 0.88 0.17 0.00 -0.00 0.00 0.00 62.75 63.79 2qou n ILE 71 Cb 0.00 -1.65 0.45 0.00 -0.00 0.00 0.00 39.64 38.44 2qou n ILE 71 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2qou h SER 72 N 0.00 0.53 0.75 4.38 0.87 -1.99 -1.76 113.55 116.32 2qou h SER 72 Ca 0.00 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2qou h SER 72 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2qou h SER 72 CO 0.00 0.21 -0.46 1.23 -0.53 0.00 0.00 176.83 177.28 2qou h GLY 73 N 0.53 -1.26 0.00 5.77 0.00 -1.84 0.64 103.07 106.91 2qou h GLY 73 Ca 0.49 0.51 0.00 0.00 0.00 0.00 0.00 47.33 48.34 2qou h GLY 73 CO -0.23 -0.43 0.00 -1.06 0.00 0.00 0.00 176.54 174.82 2qou n GLN 74 N -5.60 0.00 -0.09 4.80 6.02 0.43 0.17 117.38 123.12 2qou n GLN 74 Ca -0.14 0.70 -0.06 0.00 -0.01 0.00 0.00 57.00 57.48 2qou n GLN 74 Cb 0.48 -1.36 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 2qou n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qou h ALA 75 N -1.51 0.06 -0.98 -1.58 0.00 -1.56 0.12 119.26 113.81 2qou h ALA 75 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2qou h ALA 75 Cb 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2qou h ALA 75 CO 0.00 -0.57 0.63 0.78 0.00 0.00 0.00 179.25 180.09 2qou h GLY 76 N -0.14 1.50 0.88 0.00 0.00 0.60 -2.25 103.07 103.67 2qou h GLY 76 Ca 0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2qou h GLY 76 CO -0.41 0.26 -0.22 0.00 0.00 0.00 0.00 176.54 176.17 2qou h ALA 77 N 1.50 0.35 -0.86 3.60 0.00 0.29 -3.17 119.26 120.97 2qou h ALA 77 Ca 0.45 -0.36 0.22 0.00 0.00 0.00 0.00 54.91 55.22 2qou h ALA 77 Cb 0.30 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.88 2qou h ALA 77 CO -0.20 0.30 0.21 0.82 0.00 0.00 0.00 179.25 180.38 2qou h ILE 78 N 0.27 0.32 -0.92 0.00 2.04 -0.20 0.13 117.51 119.15 2qou h ILE 78 Ca 0.04 -0.07 0.27 0.00 1.00 0.00 0.00 64.86 66.10 2qou h ILE 78 Cb 0.77 0.11 -0.16 0.00 -0.74 0.00 0.00 36.82 36.79 2qou h ILE 78 CO 0.06 0.04 0.21 -0.09 0.00 0.00 0.00 178.15 178.37 2qou h ARG 79 N 0.20 0.12 0.00 2.37 2.43 -1.49 -2.20 114.38 115.81 2qou h ARG 79 Ca 0.53 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2qou h ARG 79 Cb 1.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2qou h ARG 79 CO -0.65 0.08 0.00 1.58 -1.51 0.00 0.00 179.97 179.47 2qou n HIS 80 N -5.30 0.00 -0.37 2.20 -0.00 0.45 -0.47 115.22 111.72 2qou n HIS 80 Ca 0.24 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.43 2qou n HIS 80 Cb 0.78 -0.28 0.08 0.00 -0.12 0.00 0.00 29.99 30.44 2qou n HIS 80 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2qou h GLY 81 N 0.00 0.31 0.00 1.57 0.00 -1.34 0.45 103.07 104.05 2qou h GLY 81 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2qou h GLY 81 CO 0.00 -0.27 0.00 1.39 0.00 0.00 0.00 176.54 177.66 2qou n ILE 82 N -5.53 0.00 -0.33 2.60 5.41 -0.95 0.68 119.36 121.24 2qou n ILE 82 Ca 0.12 1.12 0.36 0.00 1.00 0.00 0.00 62.75 65.35 2qou n ILE 82 Cb 0.44 -1.95 0.67 0.00 -0.71 0.00 0.00 39.64 38.08 2qou n ILE 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qou h THR 83 N 0.00 0.15 0.06 1.39 1.03 -0.35 0.40 112.91 115.59 2qou h THR 83 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2qou h THR 83 Cb 0.00 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 67.28 2qou h THR 83 CO 0.00 0.00 -0.03 0.03 -0.01 0.00 0.00 175.52 175.51 2qou h ARG 84 N 0.00 -0.08 -0.01 0.00 3.08 0.56 -3.21 114.38 114.72 2qou h ARG 84 Ca 0.59 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.64 2qou h ARG 84 Cb 2.72 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.79 2qou h ARG 84 CO -0.01 0.52 0.02 0.00 -1.07 0.00 0.00 179.97 179.43 2qou h ALA 85 N -0.09 1.49 -0.57 0.04 0.00 0.44 -1.34 119.26 119.23 2qou h ALA 85 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qou h ALA 85 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2qou h ALA 85 CO 0.01 -0.02 0.36 -0.07 0.00 0.00 0.00 179.25 179.53 2qou h LEU 86 N 0.00 0.67 -1.05 0.00 4.07 -1.05 -1.84 115.31 116.12 2qou h LEU 86 Ca 0.01 -0.04 0.34 0.00 0.08 0.00 0.00 57.88 58.27 2qou h LEU 86 Cb 0.04 -0.17 -0.15 0.00 1.08 0.00 0.00 40.66 41.46 2qou h LEU 86 CO -0.00 0.51 0.59 -0.03 -1.08 0.00 0.00 178.44 178.44 2qou h MET 87 N 0.77 0.27 0.20 1.13 1.85 -1.28 0.47 114.93 118.35 2qou h MET 87 Ca 0.21 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.29 2qou h MET 87 Cb -0.05 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.89 2qou h MET 87 CO -0.04 0.18 -0.29 0.93 -0.40 0.00 0.00 176.91 177.29 2qou h GLU 88 N 0.28 -0.53 -0.67 0.39 5.08 -1.44 0.12 114.58 117.80 2qou h GLU 88 Ca 0.75 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 59.32 2qou h GLU 88 Cb 1.80 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.14 2qou h GLU 88 CO -0.59 -0.36 0.47 -0.92 -1.00 0.00 0.00 179.01 176.61 2qou h TYR 89 N -0.56 0.17 -0.57 4.33 3.20 -0.95 -3.38 116.97 119.22 2qou h TYR 89 Ca 0.01 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2qou h TYR 89 Cb 0.54 -0.05 -0.19 0.00 1.54 0.00 0.00 36.73 38.57 2qou h TYR 89 CO -0.22 0.06 -0.23 0.34 -1.64 0.00 0.00 178.16 176.47 2qou s ASP 90 N -6.02 -0.90 0.62 -2.11 -1.08 -0.92 -5.02 116.67 101.24 2qou s ASP 90 Ca -0.06 -0.26 0.29 0.00 -0.52 0.00 0.00 52.55 52.01 2qou s ASP 90 Cb 0.20 1.29 1.57 0.00 -1.46 0.00 0.00 42.92 44.52 2qou s ASP 90 CO 0.75 -0.12 1.94 -0.33 0.52 0.00 0.00 175.17 177.92 2qou h GLU 91 N 6.63 0.00 0.00 4.34 4.39 -0.97 -1.66 114.58 127.31 2qou h GLU 91 Ca -0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2qou h GLU 91 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2qou h GLU 91 CO 0.01 0.00 -0.40 0.77 -1.16 0.00 0.00 179.01 178.23 2qou h SER 92 N 0.00 0.00 -0.68 1.42 0.02 -1.96 -2.98 113.55 109.37 2qou h SER 92 Ca 0.10 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.70 2qou h SER 92 Cb 0.86 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.19 2qou h SER 92 CO -0.00 0.40 0.45 0.00 -1.14 0.00 0.00 176.83 176.54 2qou n LEU 93 N -4.04 5.58 0.01 5.07 -0.00 -0.63 -4.30 117.00 118.69 2qou n LEU 93 Ca -0.02 -2.95 -0.18 0.00 -0.00 0.00 0.00 56.01 52.86 2qou n LEU 93 Cb 0.43 -0.74 -0.13 0.00 -0.00 0.00 0.00 43.42 42.98 2qou n LEU 93 CO 0.39 0.89 0.20 0.03 -0.00 0.00 0.00 177.39 178.89 2qou h ARG 94 N 0.71 0.23 -0.99 1.47 2.47 -1.69 -3.32 114.38 113.27 2qou h ARG 94 Ca 0.43 -0.35 0.19 0.00 -1.26 0.00 0.00 59.98 59.00 2qou h ARG 94 Cb 2.23 0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 30.56 2qou h ARG 94 CO 0.76 1.13 0.59 1.03 0.56 0.00 0.00 179.97 184.04 2qou h SER 95 N -0.49 0.74 -0.07 7.04 0.87 -1.84 0.63 113.55 120.43 2qou h SER 95 Ca -0.09 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2qou h SER 95 Cb 1.37 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2qou h SER 95 CO 0.10 0.25 0.12 -0.33 -0.53 0.00 0.00 176.83 176.44 2qou h GLU 96 N 0.72 0.00 0.07 2.24 4.39 -1.87 -1.46 114.58 118.68 2qou h GLU 96 Ca 0.58 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.91 2qou h GLU 96 Cb 0.91 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 2qou h GLU 96 CO -0.40 0.00 -2.10 1.28 -1.16 0.00 0.00 179.01 176.64 2qou n LEU 97 N -3.48 2.30 0.06 1.33 4.77 0.20 -4.25 117.00 117.94 2qou n LEU 97 Ca -0.01 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 2qou n LEU 97 Cb 0.21 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 2qou n LEU 97 CO 0.23 0.79 0.34 -0.09 -1.33 0.00 0.00 177.39 177.33 2qou h ARG 98 N 0.04 -0.15 -0.17 3.23 2.43 -0.12 -1.54 114.38 118.10 2qou h ARG 98 Ca -0.45 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2qou h ARG 98 Cb 2.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 2qou h ARG 98 CO 0.04 -0.10 0.00 0.36 -1.51 0.00 0.00 179.97 178.76 2qou n LYS 99 N -2.57 0.27 0.00 0.20 -0.00 -0.82 -0.54 118.16 114.71 2qou n LYS 99 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2qou n LYS 99 Cb 0.06 -1.08 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 2qou n LYS 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qou n ALA 100 N 0.05 2.04 -2.36 0.58 0.00 -1.17 -5.03 120.51 114.62 2qou n ALA 100 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 53.44 52.63 2qou n ALA 100 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.52 2qou n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qou n GLY 101 N -0.27 -0.23 1.79 0.00 0.00 0.30 -5.01 105.19 101.78 2qou n GLY 101 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2qou n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qou n PHE 102 N -2.20 -1.26 -0.32 1.61 0.99 -0.59 -4.91 117.46 110.79 2qou n PHE 102 Ca -0.03 0.22 0.04 0.00 -0.00 0.00 0.00 57.45 57.69 2qou n PHE 102 Cb 0.55 0.44 0.12 0.00 -1.00 0.00 0.00 39.48 39.59 2qou n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2qou h VAL 103 N 0.00 0.11 -3.99 -4.37 -1.51 -1.82 -3.41 116.25 101.25 2qou h VAL 103 Ca 0.00 -0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 64.98 2qou h VAL 103 Cb 0.00 0.11 0.19 0.00 -2.13 0.00 0.00 31.29 29.45 2qou h VAL 103 CO 0.00 0.00 0.18 0.42 -1.23 0.00 0.00 177.57 176.94 2qou s THR 104 N -6.25 2.26 -0.01 7.19 -4.23 -1.26 -5.01 115.64 108.33 2qou s THR 104 Ca -0.15 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 2qou s THR 104 Cb 0.25 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 2qou s THR 104 CO 0.77 -0.11 -0.19 -0.60 -0.54 0.00 0.00 174.62 173.95 2qou s ARG 105 N -4.66 1.51 -0.90 3.99 3.00 -1.26 -4.97 118.95 115.65 2qou s ARG 105 Ca 0.66 -0.69 -0.27 0.00 -1.00 0.00 0.00 55.73 54.43 2qou s ARG 105 Cb -0.22 -1.47 -0.25 0.00 0.00 0.00 0.00 34.95 33.02 2qou s ARG 105 CO 0.59 0.40 2.00 -0.25 0.00 0.00 0.00 175.30 178.05 2qou n ASP 106 N 2.56 1.49 0.00 -2.12 10.43 -1.26 -4.77 116.55 122.87 2qou n ASP 106 Ca -0.15 -2.52 0.00 0.00 2.57 0.00 0.00 54.79 54.69 2qou n ASP 106 Cb 0.54 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 41.99 2qou n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qou n ALA 107 N 17.23 -0.20 -0.62 2.24 0.00 -1.26 -4.27 120.51 133.63 2qou n ALA 107 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.63 2qou n ALA 107 Cb 0.46 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 2qou n ALA 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qou n ARG 108 N -2.24 0.00 -3.86 0.00 1.85 -1.26 -4.73 116.66 106.42 2qou n ARG 108 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 2qou n ARG 108 Cb 0.00 -0.57 -0.07 0.00 -1.05 0.00 0.00 32.46 30.78 2qou n ARG 108 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2qou s GLN 109 N -0.13 1.03 0.15 2.89 -0.44 -1.26 -4.72 119.66 117.19 2qou s GLN 109 Ca 0.35 -1.00 -0.25 0.00 -2.50 0.00 0.00 55.36 51.96 2qou s GLN 109 Cb -0.49 0.39 -0.15 0.00 -1.64 0.00 0.00 33.01 31.12 2qou s GLN 109 CO 0.24 -0.37 0.48 0.28 0.50 0.00 0.00 175.29 176.42 2qou n VAL 110 N -0.16 1.54 -3.55 1.34 0.31 -1.26 -4.91 118.33 111.64 2qou n VAL 110 Ca -0.12 -0.39 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 2qou n VAL 110 Cb 0.63 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.49 2qou n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qou s GLU 111 N -0.77 4.16 0.32 5.55 2.02 -1.26 -5.05 118.70 123.67 2qou s GLU 111 Ca 0.56 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.39 2qou s GLU 111 Cb -0.81 -3.39 -0.11 0.00 0.10 0.00 0.00 34.13 29.92 2qou s GLU 111 CO 0.47 0.32 1.55 -0.98 0.02 0.00 0.00 175.26 176.65 2qou s ARG 112 N 0.20 4.13 -0.25 1.61 1.70 -1.26 -4.87 118.95 120.21 2qou s ARG 112 Ca 0.18 2.56 -0.29 0.00 -0.47 0.00 0.00 55.73 57.71 2qou s ARG 112 Cb -0.13 -3.01 -0.03 0.00 -0.57 0.00 0.00 34.95 31.20 2qou s ARG 112 CO 0.05 -0.59 1.84 0.21 -1.08 0.00 0.00 175.30 175.73 2qou s LYS 113 N -0.98 3.49 0.38 3.89 2.36 -1.26 -4.62 119.74 123.00 2qou s LYS 113 Ca 0.60 1.70 -0.24 0.00 -2.55 0.00 0.00 55.97 55.48 2qou s LYS 113 Cb -0.47 -4.18 -0.09 0.00 -1.05 0.00 0.00 37.83 32.04 2qou s LYS 113 CO 0.52 -1.67 1.02 0.15 1.55 0.00 0.00 175.35 176.92 2qou s LYS 114 N 5.41 4.29 0.61 4.03 1.02 -1.26 -4.68 119.74 129.16 2qou s LYS 114 Ca 0.82 1.45 -0.17 0.00 0.02 0.00 0.00 55.97 58.10 2qou s LYS 114 Cb -0.27 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2qou s LYS 114 CO 0.33 -0.02 1.12 0.54 -0.92 0.00 0.00 175.35 176.41 2qou s VAL 115 N -1.66 3.16 0.00 3.17 0.11 -1.26 -3.21 120.40 120.70 2qou s VAL 115 Ca 0.56 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 2qou s VAL 115 Cb -0.21 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2qou s VAL 115 CO 0.26 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2qou n GLY 116 N -0.18 3.01 3.70 6.54 0.00 -1.26 -5.02 105.19 111.99 2qou n GLY 116 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2qou n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qou s LEU 117 N 0.00 3.50 0.60 0.99 1.43 -1.20 -4.86 118.68 119.14 2qou s LEU 117 Ca 0.00 -0.18 0.37 0.00 -1.03 0.00 0.00 54.13 53.29 2qou s LEU 117 Cb 0.00 -2.21 1.87 0.00 0.03 0.00 0.00 46.19 45.88 2qou s LEU 117 CO 0.00 0.16 2.18 -0.09 0.23 0.00 0.00 176.35 178.83 2qou h ARG 118 N 3.28 0.00 -0.39 1.70 2.43 -1.69 -3.40 114.38 116.30 2qou h ARG 118 Ca -0.47 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.77 2qou h ARG 118 Cb 1.17 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.54 2qou h ARG 118 CO 0.60 0.02 -0.19 0.21 -1.51 0.00 0.00 179.97 179.11 2qou s LYS 119 N -4.02 0.33 0.00 0.20 2.36 -0.47 -5.01 119.74 113.14 2qou s LYS 119 Ca -0.03 -0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.27 2qou s LYS 119 Cb 0.12 0.04 0.00 0.00 -1.05 0.00 0.00 37.83 36.93 2qou s LYS 119 CO 0.49 -0.47 0.00 0.00 1.55 0.00 0.00 175.35 176.92 2qou n ALA 120 N 3.80 0.00 -0.11 3.13 0.00 -1.26 -1.92 120.51 124.15 2qou n ALA 120 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 2qou n ALA 120 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 2qou n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qou n ARG 121 N 0.00 0.55 -1.96 0.00 5.12 -1.26 -4.11 116.66 114.99 2qou n ARG 121 Ca 0.00 0.36 -0.41 0.00 -1.93 0.00 0.00 57.85 55.87 2qou n ARG 121 Cb 0.00 -1.56 -0.01 0.00 -1.16 0.00 0.00 32.46 29.73 2qou n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2qou s ARG 122 N -2.54 4.24 0.01 5.56 3.52 -0.81 -4.92 118.95 124.01 2qou s ARG 122 Ca -0.31 2.39 0.04 0.00 -0.13 0.00 0.00 55.73 57.73 2qou s ARG 122 Cb 0.08 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 2qou s ARG 122 CO 0.46 -0.36 -0.13 -0.98 -0.81 0.00 0.00 175.30 173.47 2qou s ARG 123 N -1.84 1.02 0.88 5.12 1.70 -1.26 -1.37 118.95 123.21 2qou s ARG 123 Ca 0.51 -0.57 -0.13 0.00 -0.47 0.00 0.00 55.73 55.08 2qou s ARG 123 Cb -0.43 -1.00 0.05 0.00 -0.57 0.00 0.00 34.95 33.00 2qou s ARG 123 CO 0.57 0.27 0.71 -0.35 -1.08 0.00 0.00 175.30 175.42 2qou n PRO 124 N 2.46 -0.15 -2.61 3.89 -0.04 -1.26 -4.83 135.00 132.47 2qou n PRO 124 Ca -0.15 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.03 2qou n PRO 124 Cb 0.55 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 2qou n PRO 124 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2qou s GLN 125 N -3.78 3.65 0.00 0.54 -2.07 -1.26 -4.99 119.66 111.74 2qou s GLN 125 Ca 0.63 0.39 0.03 0.00 -1.82 0.00 0.00 55.36 54.59 2qou s GLN 125 Cb -0.25 -2.33 0.02 0.00 -1.09 0.00 0.00 33.01 29.35 2qou s GLN 125 CO 0.61 -0.19 0.52 1.97 -1.32 0.00 0.00 175.29 176.88 2qou n PHE 126 N -1.96 0.00 0.00 9.60 -0.00 -1.26 -5.02 117.46 118.83 2qou n PHE 126 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2qou n PHE 126 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.03 2qou n PHE 126 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2qou n SER 127 N -0.02 0.00 -4.71 5.98 3.41 -1.26 -4.59 113.62 112.44 2qou n SER 127 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2qou n SER 127 Cb 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2qou n SER 127 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2qou s LYS 128 N 0.00 4.25 0.00 4.33 2.47 -1.26 -5.36 119.74 124.18 2qou s LYS 128 Ca 0.00 2.22 0.14 0.00 -1.56 0.00 0.00 55.97 56.76 2qou s LYS 128 Cb 0.00 -3.32 0.11 0.00 -1.46 0.00 0.00 37.83 33.15 2qou s LYS 128 CO 0.00 -0.57 0.93 -2.13 0.16 0.00 0.00 175.35 173.73