#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnt n LEU -4 N 0.00 0.39 -0.65 1.20 4.77 -1.26 -2.78 117.00 118.66 2qnt n LEU -4 Ca 0.00 0.64 0.06 0.00 -0.03 0.00 0.00 56.01 56.69 2qnt n LEU -4 Cb 0.00 -0.65 0.14 0.00 -2.33 0.00 0.00 43.42 40.58 2qnt n LEU -4 CO 0.00 -0.66 0.60 -1.22 -1.33 0.00 0.00 177.39 174.78 2qnt n TYR -3 N -1.98 0.40 -2.26 -1.77 4.01 -1.26 -4.95 117.16 109.34 2qnt n TYR -3 Ca 0.00 -0.40 -0.42 0.00 -0.16 0.00 0.00 57.90 56.93 2qnt n TYR -3 Cb 0.09 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 2qnt n TYR -3 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2qnt s PHE -2 N -1.00 3.15 0.24 -0.72 5.36 -1.12 -5.00 117.98 118.89 2qnt s PHE -2 Ca 0.23 1.00 0.06 0.00 -0.96 0.00 0.00 56.93 57.26 2qnt s PHE -2 Cb 0.12 -3.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.17 2qnt s PHE -2 CO 0.17 -2.09 0.26 -0.65 -1.46 0.00 0.00 175.22 171.44 2qnt s GLN -1 N 1.62 3.12 7.50 10.12 -1.52 -1.26 -5.11 119.66 134.13 2qnt s GLN -1 Ca 0.62 -0.93 0.00 0.00 -1.95 0.00 0.00 55.36 53.10 2qnt s GLN -1 Cb -0.32 -2.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 2qnt s GLN -1 CO 0.28 0.42 0.00 0.41 -0.25 0.00 0.00 175.29 176.15 2qnt n GLY 0 N -1.22 2.45 0.00 3.09 0.00 -1.26 -5.22 105.19 103.03 2qnt n GLY 0 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2qnt n GLY 0 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qnt n ARG 2 N 9.34 0.00 -2.46 1.61 0.63 -1.26 -5.24 116.66 119.28 2qnt n ARG 2 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2qnt n ARG 2 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2qnt n ARG 2 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 2qnt s PHE 3 N 0.00 3.48 -0.09 -0.14 2.19 -1.26 -4.96 117.98 117.20 2qnt s PHE 3 Ca 0.00 1.38 -0.12 0.00 0.33 0.00 0.00 56.93 58.52 2qnt s PHE 3 Cb 0.00 -3.37 -0.04 0.00 -1.31 0.00 0.00 43.02 38.30 2qnt s PHE 3 CO 0.00 -1.07 -0.22 0.28 1.83 0.00 0.00 175.22 176.04 2qnt n VAL 4 N 3.75 1.29 -3.46 3.12 0.31 -1.26 -5.08 118.33 117.00 2qnt n VAL 4 Ca 0.08 0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 64.50 2qnt n VAL 4 Cb 0.47 -2.06 -0.04 0.00 -0.91 0.00 0.00 33.84 31.31 2qnt n VAL 4 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qnt s ASN 5 N -5.78 -0.60 0.44 4.52 2.20 -1.26 -4.87 114.94 109.58 2qnt s ASN 5 Ca -0.19 0.27 -0.19 0.00 -0.94 0.00 0.00 52.86 51.82 2qnt s ASN 5 Cb 0.03 0.57 -0.10 0.00 -2.00 0.00 0.00 41.25 39.75 2qnt s ASN 5 CO 0.28 -0.83 0.92 -2.16 -2.94 0.00 0.00 177.10 172.37 2qnt s PRO 6 N -2.76 4.11 -0.48 3.55 0.04 -1.26 -5.01 135.00 133.18 2qnt s PRO 6 Ca -0.04 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.03 2qnt s PRO 6 Cb -0.01 -2.21 0.17 0.00 0.04 0.00 0.00 34.50 32.49 2qnt s PRO 6 CO -0.04 -0.07 0.37 0.42 0.04 0.00 0.00 177.00 177.72 2qnt s ILE 7 N -2.28 0.99 0.46 0.56 1.01 -1.26 -3.37 121.20 117.31 2qnt s ILE 7 Ca 0.60 -2.99 -0.25 0.00 0.00 0.00 0.00 60.65 58.01 2qnt s ILE 7 Cb -0.09 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.62 2qnt s ILE 7 CO 0.19 -1.15 1.36 -2.65 0.00 0.00 0.00 174.94 172.69 2qnt n PRO 8 N 2.72 2.05 -3.07 2.79 -0.02 -1.25 -4.76 135.00 133.46 2qnt n PRO 8 Ca 0.26 0.73 -0.39 0.00 -2.02 0.00 0.00 63.50 62.08 2qnt n PRO 8 Cb 0.44 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 2qnt n PRO 8 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qnt s PHE 9 N -1.21 3.87 0.06 6.00 0.40 -1.26 -2.33 117.98 123.51 2qnt s PHE 9 Ca 0.63 1.52 0.05 0.00 -0.60 0.00 0.00 56.93 58.53 2qnt s PHE 9 Cb -0.46 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 2qnt s PHE 9 CO 0.56 0.52 -0.14 0.14 0.70 0.00 0.00 175.22 177.00 2qnt s VAL 10 N -1.06 1.09 0.16 -0.44 -7.23 -0.30 -4.80 120.40 107.82 2qnt s VAL 10 Ca 0.34 -1.24 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2qnt s VAL 10 Cb -0.22 -1.04 -0.16 0.00 0.56 0.00 0.00 36.38 35.52 2qnt s VAL 10 CO 0.24 -0.19 1.37 -0.09 -0.31 0.00 0.00 175.10 176.12 2qnt h ARG 11 N 4.41 0.16 -2.86 4.82 2.43 -1.96 0.71 114.38 122.09 2qnt h ARG 11 Ca -0.40 -0.19 -0.44 0.00 -0.81 0.00 0.00 59.98 58.14 2qnt h ARG 11 Cb 1.19 0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 30.40 2qnt h ARG 11 CO 0.41 0.95 -0.73 0.34 -1.51 0.00 0.00 179.97 179.43 2qnt s ASP 12 N -6.91 2.38 0.30 -3.80 -1.08 -1.26 -4.81 116.67 101.49 2qnt s ASP 12 Ca -0.02 -0.68 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 2qnt s ASP 12 Cb 0.10 -0.12 0.48 0.00 -1.46 0.00 0.00 42.92 41.93 2qnt s ASP 12 CO 0.83 -0.37 1.84 -0.29 0.52 0.00 0.00 175.17 177.70 2qnt h ILE 13 N 6.39 1.21 -0.44 4.11 6.09 -1.92 -2.00 117.51 130.95 2qnt h ILE 13 Ca -0.16 -0.81 -0.07 0.00 -1.37 0.00 0.00 64.86 62.45 2qnt h ILE 13 Cb 1.12 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 2qnt h ILE 13 CO 0.32 0.29 -0.01 0.78 -3.07 0.00 0.00 178.15 176.46 2qnt h ASN 14 N 0.67 0.77 -0.55 2.19 2.35 -1.96 0.28 115.58 119.34 2qnt h ASN 14 Ca 0.15 -0.31 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 2qnt h ASN 14 Cb 0.31 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2qnt h ASN 14 CO 0.00 0.89 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.56 2qnt h ARG 15 N 0.63 0.99 -0.24 0.81 9.65 -1.96 -1.03 114.38 123.23 2qnt h ARG 15 Ca 0.12 -0.33 -0.17 0.00 -1.10 0.00 0.00 59.98 58.50 2qnt h ARG 15 Cb 0.50 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2qnt h ARG 15 CO 0.02 1.01 -0.54 1.03 2.80 0.00 0.00 179.97 184.29 2qnt h SER 16 N 0.87 0.79 -0.25 -3.80 0.87 -1.23 -1.63 113.55 109.16 2qnt h SER 16 Ca 0.15 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2qnt h SER 16 Cb 0.58 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2qnt h SER 16 CO 0.03 1.17 0.15 0.50 -0.53 0.00 0.00 176.83 178.16 2qnt h LYS 17 N 0.55 0.34 -0.52 2.24 3.64 -0.32 -1.70 116.57 120.80 2qnt h LYS 17 Ca 0.01 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2qnt h LYS 17 Cb 1.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2qnt h LYS 17 CO 0.11 0.27 -0.03 0.66 -2.27 0.00 0.00 179.45 178.19 2qnt h SER 18 N 0.32 0.87 0.38 4.20 4.64 -1.16 0.03 113.55 122.82 2qnt h SER 18 Ca 0.09 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2qnt h SER 18 Cb 0.01 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2qnt h SER 18 CO -0.02 0.95 -0.19 0.15 -0.87 0.00 0.00 176.83 176.86 2qnt h PHE 19 N 0.82 -0.48 -0.38 4.77 3.57 -1.18 0.32 116.94 124.38 2qnt h PHE 19 Ca 0.15 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 2qnt h PHE 19 Cb 0.53 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2qnt h PHE 19 CO 0.03 -0.30 -0.24 1.88 -2.23 0.00 0.00 178.31 177.45 2qnt h TYR 20 N -0.51 0.87 0.41 0.41 -1.99 -1.17 -0.35 116.97 114.63 2qnt h TYR 20 Ca -0.05 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.45 2qnt h TYR 20 Cb 0.40 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2qnt h TYR 20 CO -0.05 0.93 -0.20 -0.09 -0.00 0.00 0.00 178.16 178.75 2qnt h ARG 21 N 0.66 -0.53 -0.03 4.88 2.43 -1.01 -0.75 114.38 120.03 2qnt h ARG 21 Ca 0.09 0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.05 2qnt h ARG 21 Cb 0.76 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2qnt h ARG 21 CO 0.06 -0.35 -0.97 -0.44 -1.51 0.00 0.00 179.97 176.76 2qnt h ASP 22 N -0.91 0.81 0.01 -3.80 3.32 -0.40 -1.25 116.42 114.21 2qnt h ASP 22 Ca -0.06 -0.62 -0.32 0.00 0.02 0.00 0.00 57.03 56.05 2qnt h ASP 22 Cb 0.42 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2qnt h ASP 22 CO 0.09 1.42 -1.74 0.54 -1.72 0.00 0.00 179.24 177.84 2qnt n ARG 23 N -3.84 0.60 0.02 3.56 5.12 -0.19 -4.44 116.66 117.48 2qnt n ARG 23 Ca -0.09 0.44 0.13 0.00 -1.93 0.00 0.00 57.85 56.40 2qnt n ARG 23 Cb 0.84 -1.67 0.36 0.00 -1.16 0.00 0.00 32.46 30.83 2qnt n ARG 23 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2qnt n LEU 24 N -4.24 0.41 -0.50 0.55 4.32 -0.91 -4.73 117.00 111.91 2qnt n LEU 24 Ca -0.39 0.22 -0.05 0.00 -0.02 0.00 0.00 56.01 55.77 2qnt n LEU 24 Cb 0.79 -0.32 -0.01 0.00 -1.62 0.00 0.00 43.42 42.26 2qnt n LEU 24 CO 0.17 0.04 -0.06 0.61 -1.22 0.00 0.00 177.39 176.93 2qnt n GLY 25 N 1.46 0.52 3.82 -0.72 0.00 -0.47 -4.98 105.19 104.82 2qnt n GLY 25 Ca 0.06 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2qnt n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qnt s LEU 26 N -1.37 3.58 -0.18 0.99 1.43 -0.33 -4.98 118.68 117.83 2qnt s LEU 26 Ca 0.00 1.72 -0.04 0.00 -1.03 0.00 0.00 54.13 54.78 2qnt s LEU 26 Cb 0.00 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 2qnt s LEU 26 CO 0.00 -0.88 -0.03 -0.54 0.23 0.00 0.00 176.35 175.13 2qnt s LYS 27 N -4.00 3.61 0.04 1.70 -0.14 -1.26 -4.34 119.74 115.35 2qnt s LYS 27 Ca 0.62 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.39 2qnt s LYS 27 Cb -0.13 -2.97 -0.07 0.00 -1.68 0.00 0.00 37.83 32.98 2qnt s LYS 27 CO 0.33 0.11 1.50 0.42 -0.76 0.00 0.00 175.35 176.96 2qnt s ILE 28 N 0.70 3.40 -0.15 2.17 1.01 -1.26 -0.54 121.20 126.53 2qnt s ILE 28 Ca -0.01 0.83 -0.23 0.00 0.00 0.00 0.00 60.65 61.24 2qnt s ILE 28 Cb -0.14 -3.53 -0.24 0.00 0.01 0.00 0.00 42.46 38.55 2qnt s ILE 28 CO 0.02 0.00 0.53 0.25 0.00 0.00 0.00 174.94 175.75 2qnt h LEU 29 N 8.31 0.12 -7.38 2.97 5.85 -0.75 -3.45 115.31 120.97 2qnt h LEU 29 Ca -0.40 -0.79 -0.16 0.00 0.84 0.00 0.00 57.88 57.37 2qnt h LEU 29 Cb 1.19 -0.04 -0.27 0.00 0.37 0.00 0.00 40.66 41.91 2qnt h LEU 29 CO 0.91 1.34 -0.40 -0.70 -0.34 0.00 0.00 178.44 179.24 2qnt s GLU 30 N -2.34 0.30 -0.24 1.25 2.56 -0.89 -5.01 118.70 114.32 2qnt s GLU 30 Ca -0.22 0.50 0.02 0.00 0.00 0.00 0.00 54.97 55.26 2qnt s GLU 30 Cb 0.02 0.04 0.05 0.00 2.00 0.00 0.00 34.13 36.23 2qnt s GLU 30 CO 0.68 -0.10 -0.12 0.34 -0.56 0.00 0.00 175.26 175.50 2qnt s ASP 31 N 0.71 4.12 0.00 -1.70 -1.08 -1.26 -0.77 116.67 116.69 2qnt s ASP 31 Ca -0.05 -1.14 0.24 0.00 -0.52 0.00 0.00 52.55 51.09 2qnt s ASP 31 Cb -0.06 -1.56 0.23 0.00 -1.46 0.00 0.00 42.92 40.08 2qnt s ASP 31 CO -0.05 -0.14 1.28 0.49 0.52 0.00 0.00 175.17 177.28 2qnt n PHE 32 N 4.52 0.07 0.00 -5.34 3.01 -0.01 -5.03 117.46 114.68 2qnt n PHE 32 Ca -0.16 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2qnt n PHE 32 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2qnt n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qnt n GLY 33 N 1.37 1.58 0.08 1.37 0.00 -1.26 -4.61 105.19 103.73 2qnt n GLY 33 Ca 0.15 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.64 2qnt n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qnt n SER 34 N 2.98 0.59 -3.90 1.61 7.64 -1.26 -4.76 113.62 116.52 2qnt n SER 34 Ca 0.00 0.57 -0.18 0.00 1.01 0.00 0.00 58.87 60.27 2qnt n SER 34 Cb 0.00 -0.72 -0.16 0.00 -1.01 0.00 0.00 64.21 62.32 2qnt n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2qnt s PHE 35 N -3.11 0.54 -0.08 1.43 5.99 -1.26 -0.49 117.98 121.00 2qnt s PHE 35 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 56.93 56.94 2qnt s PHE 35 Cb 0.13 -0.46 0.02 0.00 0.00 0.00 0.00 43.02 42.71 2qnt s PHE 35 CO 0.54 -0.10 -0.10 0.08 -0.00 0.00 0.00 175.22 175.63 2qnt s VAL 36 N 0.53 1.03 -0.18 3.12 1.01 -0.48 -0.83 120.40 124.59 2qnt s VAL 36 Ca -0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2qnt s VAL 36 Cb -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2qnt s VAL 36 CO -0.00 0.34 0.11 -0.76 0.00 0.00 0.00 175.10 174.79 2qnt s LEU 37 N 1.03 4.12 0.20 3.92 1.43 0.05 -1.52 118.68 127.91 2qnt s LEU 37 Ca -0.08 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 2qnt s LEU 37 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2qnt s LEU 37 CO -0.00 0.21 0.17 -0.36 0.23 0.00 0.00 176.35 176.59 2qnt s PHE 38 N 0.16 3.14 0.59 0.29 0.40 0.39 -0.08 117.98 122.88 2qnt s PHE 38 Ca 0.08 -0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.16 2qnt s PHE 38 Cb -0.11 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2qnt s PHE 38 CO -0.01 0.52 1.30 -1.21 0.70 0.00 0.00 175.22 176.52 2qnt s GLU 39 N -3.42 2.89 -0.08 0.44 2.02 0.30 -3.08 118.70 117.78 2qnt s GLU 39 Ca 0.32 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.38 2qnt s GLU 39 Cb -0.09 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.11 2qnt s GLU 39 CO 0.24 -1.34 0.00 0.25 0.02 0.00 0.00 175.26 174.43 2qnt n THR 40 N -1.47 0.00 -0.57 3.63 -2.24 -1.26 -4.26 114.28 108.10 2qnt n THR 40 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2qnt n THR 40 Cb 0.47 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2qnt n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qnt n GLY 41 N -2.83 0.65 3.88 3.38 0.00 -1.18 -5.07 105.19 104.03 2qnt n GLY 41 Ca -0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2qnt n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qnt s PHE 42 N -2.00 3.41 0.09 1.61 2.19 -1.24 -4.33 117.98 117.71 2qnt s PHE 42 Ca 0.00 0.16 -0.15 0.00 0.33 0.00 0.00 56.93 57.27 2qnt s PHE 42 Cb 0.00 -1.69 0.03 0.00 -1.31 0.00 0.00 43.02 40.05 2qnt s PHE 42 CO 0.00 0.55 0.36 0.00 1.83 0.00 0.00 175.22 177.97 2qnt s ALA 43 N -1.55 -0.82 0.03 11.12 0.00 -1.22 -0.46 121.76 128.87 2qnt s ALA 43 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2qnt s ALA 43 Cb -0.12 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2qnt s ALA 43 CO 0.26 -0.56 -0.04 0.96 0.00 0.00 0.00 175.76 176.38 2qnt s ILE 44 N -3.40 0.26 -0.04 0.00 -4.36 -0.58 -3.93 121.20 109.15 2qnt s ILE 44 Ca 0.01 -1.16 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 2qnt s ILE 44 Cb 0.01 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 43.11 2qnt s ILE 44 CO -0.09 -0.58 0.09 -2.28 0.24 0.00 0.00 174.94 172.32 2qnt s HIS 45 N -1.99 -0.10 0.18 1.37 2.46 -0.98 -1.38 115.29 114.86 2qnt s HIS 45 Ca -0.09 0.28 -0.33 0.00 0.47 0.00 0.00 55.06 55.39 2qnt s HIS 45 Cb -0.06 -0.02 -0.14 0.00 -0.13 0.00 0.00 32.58 32.23 2qnt s HIS 45 CO -0.02 -0.08 1.47 -1.91 -2.47 0.00 0.00 174.74 171.73 2qnt n GLU 46 N 3.42 1.96 -0.01 2.88 0.00 0.35 -1.15 120.64 128.09 2qnt n GLU 46 Ca -0.17 0.70 -0.17 0.00 0.00 0.00 0.00 57.16 57.52 2qnt n GLU 46 Cb 0.57 -2.40 -0.10 0.00 0.00 0.00 0.00 31.44 29.51 2qnt n GLU 46 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2qnt h GLY 47 N 5.02 0.53 1.03 8.31 0.00 -1.16 -3.02 103.07 113.78 2qnt h GLY 47 Ca -0.45 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.00 2qnt h GLY 47 CO 0.82 0.73 0.22 3.21 0.00 0.00 0.00 176.54 181.52 2qnt h ARG 48 N 0.02 1.06 -0.59 4.80 3.08 -1.90 0.81 114.38 121.66 2qnt h ARG 48 Ca -0.06 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 2qnt h ARG 48 Cb 1.25 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2qnt h ARG 48 CO 0.12 0.92 0.11 0.66 -1.07 0.00 0.00 179.97 180.71 2qnt h SER 49 N 1.00 0.92 -0.13 7.04 4.64 -1.97 -0.72 113.55 124.34 2qnt h SER 49 Ca 0.22 -0.25 -0.18 0.00 -0.47 0.00 0.00 61.79 61.11 2qnt h SER 49 Cb 0.30 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2qnt h SER 49 CO -0.01 0.93 -0.57 0.25 -0.87 0.00 0.00 176.83 176.57 2qnt h LEU 50 N 0.87 0.81 -0.54 5.97 5.85 -1.36 -1.60 115.31 125.30 2qnt h LEU 50 Ca 0.18 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2qnt h LEU 50 Cb 0.39 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2qnt h LEU 50 CO 0.01 1.21 0.28 -0.33 -0.34 0.00 0.00 178.44 179.27 2qnt h GLU 51 N 0.55 0.53 -0.76 1.25 5.08 -0.69 -0.80 114.58 119.74 2qnt h GLU 51 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2qnt h GLU 51 Cb 1.15 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 2qnt h GLU 51 CO 0.12 0.35 0.34 0.93 -1.00 0.00 0.00 179.01 179.74 2qnt h GLU 52 N 0.55 1.12 -0.59 2.33 4.39 -0.99 0.63 114.58 122.02 2qnt h GLU 52 Ca 0.24 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2qnt h GLU 52 Cb 0.14 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2qnt h GLU 52 CO -0.16 0.89 0.37 1.15 -1.16 0.00 0.00 179.01 180.10 2qnt h THR 53 N 1.09 1.09 0.05 1.13 2.02 -0.75 0.05 112.91 117.59 2qnt h THR 53 Ca 0.26 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qnt h THR 53 Cb 0.17 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2qnt h THR 53 CO -0.03 0.13 -0.03 0.40 0.37 0.00 0.00 175.52 176.37 2qnt h ILE 54 N 0.74 1.06 -0.01 3.11 2.04 -0.91 -3.40 117.51 120.14 2qnt h ILE 54 Ca 0.23 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2qnt h ILE 54 Cb -0.01 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2qnt h ILE 54 CO -0.08 0.33 -0.48 0.79 0.00 0.00 0.00 178.15 178.71 2qnt n TRP 55 N -4.76 0.00 -1.36 1.37 8.01 0.19 -4.98 117.44 115.90 2qnt n TRP 55 Ca -0.07 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.00 2qnt n TRP 55 Cb 0.29 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.54 2qnt n TRP 55 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 2qnt n ARG 56 N -0.75 -1.18 -3.50 -0.99 1.74 0.00 -4.95 116.66 107.03 2qnt n ARG 56 Ca 0.04 0.92 -0.15 0.00 -0.77 0.00 0.00 57.85 57.88 2qnt n ARG 56 Cb 0.26 -5.08 -0.05 0.00 -1.02 0.00 0.00 32.46 26.58 2qnt n ARG 56 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2qnt s THR 57 N -2.31 0.01 -0.08 0.55 -1.32 -1.26 -4.97 115.64 106.26 2qnt s THR 57 Ca 0.00 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.20 2qnt s THR 57 Cb 0.00 -0.99 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 2qnt s THR 57 CO 0.00 -0.03 0.52 -0.94 -2.21 0.00 0.00 174.62 171.97 2qnt s SER 58 N -1.78 -0.48 0.00 8.08 1.04 -1.26 -4.04 113.70 115.26 2qnt s SER 58 Ca -0.07 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2qnt s SER 58 Cb -0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2qnt s SER 58 CO 0.01 -0.45 0.00 -0.24 0.98 0.00 0.00 173.24 173.54 2qnt n SER 59 N 1.49 0.00 0.00 7.02 2.88 -1.26 -5.08 113.62 118.68 2qnt n SER 59 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2qnt n SER 59 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2qnt n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qnt n GLN 62 N 0.00 0.00 -1.04 -1.46 6.02 -1.26 -4.97 117.38 114.67 2qnt n GLN 62 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2qnt n GLN 62 Cb 0.00 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.43 2qnt n GLN 62 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2qnt s GLU 63 N -2.21 0.56 0.49 -1.09 -1.05 -1.26 -4.94 118.70 109.21 2qnt s GLU 63 Ca 0.00 0.76 -0.22 0.00 -0.15 0.00 0.00 54.97 55.37 2qnt s GLU 63 Cb 0.00 -1.73 -0.09 0.00 -0.44 0.00 0.00 34.13 31.87 2qnt s GLU 63 CO 0.00 -2.70 0.93 0.00 0.95 0.00 0.00 175.26 174.44 2qnt n ALA 64 N -4.19 0.00 0.25 -0.84 0.00 -1.26 -4.88 120.51 109.59 2qnt n ALA 64 Ca 0.06 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.75 2qnt n ALA 64 Cb 0.56 -2.05 0.62 0.00 0.00 0.00 0.00 19.45 18.57 2qnt n ALA 64 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2qnt h TYR 65 N 1.06 0.00 -2.74 0.00 0.05 -1.87 -3.42 116.97 110.05 2qnt h TYR 65 Ca -0.46 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.76 2qnt h TYR 65 Cb 1.35 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.07 2qnt h TYR 65 CO 0.40 0.15 1.06 0.20 -1.05 0.00 0.00 178.16 178.92 2qnt s GLY 66 N -4.23 1.45 -0.01 3.88 0.00 0.15 -4.84 107.32 103.72 2qnt s GLY 66 Ca -0.01 0.66 0.25 0.00 0.00 0.00 0.00 44.72 45.62 2qnt s GLY 66 CO 0.60 2.89 1.17 0.54 0.00 0.00 0.00 173.10 178.30 2qnt n ARG 67 N 7.18 0.11 -4.09 2.90 1.74 -1.26 -4.81 116.66 118.42 2qnt n ARG 67 Ca 0.17 -2.09 -0.29 0.00 -0.77 0.00 0.00 57.85 54.87 2qnt n ARG 67 Cb 0.44 -0.11 -0.04 0.00 -1.02 0.00 0.00 32.46 31.74 2qnt n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qnt n ARG 68 N 0.40 -2.75 -0.60 5.56 1.74 -1.26 -5.16 116.66 114.58 2qnt n ARG 68 Ca 0.07 0.33 0.04 0.00 -0.77 0.00 0.00 57.85 57.51 2qnt n ARG 68 Cb 1.12 -4.46 0.05 0.00 -1.02 0.00 0.00 32.46 28.15 2qnt n ARG 68 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qnt n ASN 69 N -2.89 0.86 -3.80 0.55 6.94 -1.26 -5.17 115.26 110.49 2qnt n ASN 69 Ca -0.23 -2.41 -0.14 0.00 -0.02 0.00 0.00 54.58 51.79 2qnt n ASN 69 Cb 0.64 -0.30 -0.15 0.00 -2.36 0.00 0.00 39.78 37.62 2qnt n ASN 69 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qnt s LEU 71 N -0.92 1.29 -0.34 -4.53 2.96 -1.26 -5.19 118.68 110.68 2qnt s LEU 71 Ca 0.17 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.05 2qnt s LEU 71 Cb 0.17 0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.95 2qnt s LEU 71 CO -0.03 -0.09 0.32 -0.76 -1.32 0.00 0.00 176.35 174.47 2qnt s LEU 72 N 0.70 4.48 -0.23 -0.68 1.43 -0.15 -5.00 118.68 119.23 2qnt s LEU 72 Ca -0.06 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 2qnt s LEU 72 Cb -0.08 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2qnt s LEU 72 CO -0.02 -0.31 0.02 -0.47 0.23 0.00 0.00 176.35 175.80 2qnt s TYR 73 N 1.91 3.03 0.19 0.29 5.04 -1.26 -1.01 117.35 125.53 2qnt s TYR 73 Ca 0.10 -0.64 0.11 0.00 -2.44 0.00 0.00 57.07 54.19 2qnt s TYR 73 Cb -0.17 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 2qnt s TYR 73 CO 0.11 -0.43 -0.22 -0.06 -1.34 0.00 0.00 175.55 173.62 2qnt s PHE 74 N 1.50 2.14 0.11 4.97 0.08 -0.07 -5.00 117.98 121.71 2qnt s PHE 74 Ca 0.06 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.80 2qnt s PHE 74 Cb -0.15 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 2qnt s PHE 74 CO 0.01 0.46 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.17 2qnt s GLU 75 N -2.79 1.15 0.00 0.44 2.02 -1.26 -1.19 118.70 117.08 2qnt s GLU 75 Ca 0.20 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 54.02 2qnt s GLU 75 Cb -0.07 -1.40 -0.01 0.00 0.10 0.00 0.00 34.13 32.75 2qnt s GLU 75 CO 0.09 0.32 -0.09 -1.58 0.02 0.00 0.00 175.26 174.02 2qnt s HIS 76 N -1.27 0.80 0.48 1.61 2.46 -0.31 -4.90 115.29 114.16 2qnt s HIS 76 Ca 0.08 -0.19 0.13 0.00 0.47 0.00 0.00 55.06 55.55 2qnt s HIS 76 Cb -0.09 -0.51 1.12 0.00 -0.13 0.00 0.00 32.58 32.97 2qnt s HIS 76 CO 0.05 -0.01 2.10 0.00 -2.47 0.00 0.00 174.74 174.41 2qnt h ALA 77 N 5.71 1.92 -2.68 1.58 0.00 -1.96 -2.98 119.26 120.85 2qnt h ALA 77 Ca -0.31 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 2qnt h ALA 77 Cb 1.18 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 2qnt h ALA 77 CO 0.48 0.06 -0.82 0.34 0.00 0.00 0.00 179.25 179.31 2qnt s ASP 78 N -6.85 2.84 0.46 0.00 -1.08 -1.26 -4.79 116.67 105.99 2qnt s ASP 78 Ca -0.06 -3.05 0.15 0.00 -0.52 0.00 0.00 52.55 49.06 2qnt s ASP 78 Cb 0.17 -0.83 1.04 0.00 -1.46 0.00 0.00 42.92 41.85 2qnt s ASP 78 CO 0.70 -0.19 2.02 1.62 0.52 0.00 0.00 175.17 179.84 2qnt h VAL 79 N 4.75 1.11 -0.37 1.11 3.04 -1.90 -0.81 116.25 123.18 2qnt h VAL 79 Ca 0.16 -0.52 -0.04 0.00 -1.01 0.00 0.00 66.70 65.28 2qnt h VAL 79 Cb 0.88 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 2qnt h VAL 79 CO 0.46 0.15 0.06 0.44 -1.01 0.00 0.00 177.57 177.67 2qnt h ASP 80 N 0.00 0.58 -0.48 3.17 3.32 -1.94 -0.33 116.42 120.74 2qnt h ASP 80 Ca -0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 2qnt h ASP 80 Cb 0.27 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2qnt h ASP 80 CO 0.02 0.69 0.10 0.00 -1.72 0.00 0.00 179.24 178.34 2qnt h ALA 81 N 0.91 0.63 -0.51 3.45 0.00 -1.82 -1.82 119.26 120.09 2qnt h ALA 81 Ca 0.11 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qnt h ALA 81 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2qnt h ALA 81 CO 0.01 0.33 0.29 0.00 0.00 0.00 0.00 179.25 179.88 2qnt h ALA 82 N 0.97 0.65 -0.52 0.00 0.00 -1.03 -0.45 119.26 118.87 2qnt h ALA 82 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qnt h ALA 82 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qnt h ALA 82 CO 0.00 -0.02 0.24 0.35 0.00 0.00 0.00 179.25 179.83 2qnt h PHE 83 N 0.58 0.76 -0.79 0.00 3.57 -0.90 0.29 116.94 120.45 2qnt h PHE 83 Ca 0.21 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2qnt h PHE 83 Cb 0.05 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2qnt h PHE 83 CO -0.07 0.60 0.38 0.37 -2.23 0.00 0.00 178.31 177.36 2qnt h GLN 84 N 0.70 1.14 0.05 1.11 4.15 -0.97 0.42 115.11 121.71 2qnt h GLN 84 Ca 0.18 -0.16 -0.23 0.00 0.77 0.00 0.00 58.65 59.20 2qnt h GLN 84 Cb 0.13 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2qnt h GLN 84 CO -0.02 0.87 -1.08 0.38 -1.93 0.00 0.00 178.83 177.05 2qnt h ASP 85 N 1.13 0.21 0.04 -0.69 -0.00 -0.79 -3.40 116.42 112.91 2qnt h ASP 85 Ca 0.27 -0.21 -0.38 0.00 -0.00 0.00 0.00 57.03 56.71 2qnt h ASP 85 Cb 0.11 -0.07 -0.05 0.00 -0.00 0.00 0.00 39.33 39.33 2qnt h ASP 85 CO -0.03 1.15 -2.20 -0.38 -0.00 0.00 0.00 179.24 177.78 2qnt n ILE 86 N -3.46 1.60 -0.28 4.15 5.41 0.06 -4.66 119.36 122.18 2qnt n ILE 86 Ca -0.04 -0.51 0.06 0.00 1.00 0.00 0.00 62.75 63.26 2qnt n ILE 86 Cb 0.96 -1.66 0.21 0.00 -0.71 0.00 0.00 39.64 38.43 2qnt n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qnt h ALA 87 N -0.18 1.19 0.00 -1.39 0.00 -1.11 -0.83 119.26 116.94 2qnt h ALA 87 Ca -0.52 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qnt h ALA 87 Cb 1.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2qnt h ALA 87 CO -0.09 -0.14 0.00 -1.35 0.00 0.00 0.00 179.25 177.67 2qnt h PRO 88 N 0.55 0.00 -0.32 0.00 0.11 -1.81 -3.01 132.00 127.54 2qnt h PRO 88 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2qnt h PRO 88 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2qnt h PRO 88 CO -0.38 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.13 2qnt n HIS 89 N -2.58 0.41 -4.21 0.65 8.25 -0.32 -4.98 115.22 112.45 2qnt n HIS 89 Ca -0.01 -0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.02 2qnt n HIS 89 Cb 0.11 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 2qnt n HIS 89 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2qnt s VAL 90 N -1.13 0.97 -0.57 1.59 -7.23 -1.14 -5.09 120.40 107.80 2qnt s VAL 90 Ca 0.28 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 2qnt s VAL 90 Cb 0.16 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.44 2qnt s VAL 90 CO 0.22 -0.75 1.13 -0.70 -0.31 0.00 0.00 175.10 174.69 2qnt s GLU 91 N -3.57 3.49 0.41 4.82 2.12 -1.26 -4.95 118.70 119.75 2qnt s GLU 91 Ca 0.13 0.16 -0.25 0.00 0.36 0.00 0.00 54.97 55.36 2qnt s GLU 91 Cb 0.02 -4.01 -0.08 0.00 0.26 0.00 0.00 34.13 30.31 2qnt s GLU 91 CO -0.01 -1.61 1.18 -0.51 -0.54 0.00 0.00 175.26 173.76 2qnt s LEU 92 N 4.69 4.18 -0.08 2.70 1.43 -1.26 -1.77 118.68 128.58 2qnt s LEU 92 Ca 0.40 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.67 2qnt s LEU 92 Cb -0.08 -4.03 -0.29 0.00 0.03 0.00 0.00 46.19 41.81 2qnt s LEU 92 CO 0.25 -0.71 0.75 0.40 0.23 0.00 0.00 176.35 177.27 2qnt h ILE 93 N 2.30 1.35 -3.02 -0.59 2.04 -1.18 -3.47 117.51 114.94 2qnt h ILE 93 Ca -0.49 -2.47 -0.02 0.00 1.00 0.00 0.00 64.86 62.88 2qnt h ILE 93 Cb 1.24 3.02 -0.12 0.00 -0.74 0.00 0.00 36.82 40.22 2qnt h ILE 93 CO 0.62 0.69 0.20 -1.38 0.00 0.00 0.00 178.15 178.28 2qnt s HIS 94 N -2.43 -0.51 0.48 1.37 -3.43 -1.09 -5.02 115.29 104.66 2qnt s HIS 94 Ca -0.16 0.28 -0.08 0.00 -0.80 0.00 0.00 55.06 54.30 2qnt s HIS 94 Cb 0.02 0.55 0.11 0.00 -1.43 0.00 0.00 32.58 31.83 2qnt s HIS 94 CO 0.79 -0.86 0.63 -0.35 -2.00 0.00 0.00 174.74 172.95 2qnt n PRO 95 N -0.38 -0.72 -2.12 -0.38 -0.04 -1.26 -3.05 135.00 127.05 2qnt n PRO 95 Ca -0.16 -0.97 -0.43 0.00 -0.04 0.00 0.00 63.50 61.89 2qnt n PRO 95 Cb 0.65 -0.66 -0.02 0.00 -0.04 0.00 0.00 33.50 33.42 2qnt n PRO 95 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qnt s LEU 96 N 0.00 3.73 -0.01 1.53 2.96 -1.26 -4.44 118.68 121.19 2qnt s LEU 96 Ca 0.36 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 2qnt s LEU 96 Cb -0.01 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.16 2qnt s LEU 96 CO 0.25 -1.42 0.01 -1.61 -1.32 0.00 0.00 176.35 172.26 2qnt s GLU 97 N 5.00 0.01 0.09 1.98 2.02 -0.44 -4.91 118.70 122.45 2qnt s GLU 97 Ca 0.72 0.05 -0.31 0.00 0.02 0.00 0.00 54.97 55.45 2qnt s GLU 97 Cb -0.22 -0.10 -0.09 0.00 0.10 0.00 0.00 34.13 33.83 2qnt s GLU 97 CO 0.31 -0.05 1.62 0.50 0.02 0.00 0.00 175.26 177.66 2qnt s ARG 98 N 0.31 4.21 0.76 1.61 3.52 -1.26 -2.07 118.95 126.03 2qnt s ARG 98 Ca -0.03 2.32 -0.09 0.00 -0.13 0.00 0.00 55.73 57.81 2qnt s ARG 98 Cb -0.04 -3.49 0.09 0.00 -1.56 0.00 0.00 34.95 29.95 2qnt s ARG 98 CO -0.01 -0.69 1.09 -0.65 -0.81 0.00 0.00 175.30 174.23 2qnt s GLN 99 N 2.25 1.90 0.57 5.12 -1.52 0.56 -4.92 119.66 123.63 2qnt s GLN 99 Ca 0.73 -0.25 0.25 0.00 -1.95 0.00 0.00 55.36 54.14 2qnt s GLN 99 Cb -0.40 -2.09 1.63 0.00 -0.22 0.00 0.00 33.01 31.92 2qnt s GLN 99 CO 0.32 -1.49 2.19 0.00 -0.25 0.00 0.00 175.29 176.06 2qnt h ALA 100 N -0.84 1.74 -0.38 6.09 0.00 -1.95 -0.18 119.26 123.74 2qnt h ALA 100 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qnt h ALA 100 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qnt h ALA 100 CO 0.57 -0.07 0.00 -2.67 0.00 0.00 0.00 179.25 177.09 2qnt n TRP 101 N -4.06 0.50 0.00 0.00 2.14 -1.26 -4.96 117.44 109.80 2qnt n TRP 101 Ca -0.02 -0.25 0.00 0.00 2.07 0.00 0.00 57.50 59.30 2qnt n TRP 101 Cb 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.64 2qnt n TRP 101 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qnt n GLY 102 N 1.32 0.79 3.76 -1.67 0.00 -0.08 -5.05 105.19 104.27 2qnt n GLY 102 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2qnt n GLY 102 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qnt s GLN 103 N -0.92 4.52 -0.17 1.61 0.74 -1.26 -4.69 119.66 119.48 2qnt s GLN 103 Ca 0.00 1.10 -0.23 0.00 0.05 0.00 0.00 55.36 56.28 2qnt s GLN 103 Cb 0.00 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 2qnt s GLN 103 CO 0.00 0.44 0.74 1.03 -0.55 0.00 0.00 175.29 176.95 2qnt s ARG 104 N -0.63 4.27 0.05 1.67 0.52 -1.26 -0.32 118.95 123.25 2qnt s ARG 104 Ca 0.37 0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 56.42 2qnt s ARG 104 Cb -0.22 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 2qnt s ARG 104 CO 0.24 -0.27 -0.03 0.14 0.02 0.00 0.00 175.30 175.40 2qnt s VAL 105 N 1.97 0.25 0.18 3.52 -7.23 -0.88 -1.42 120.40 116.79 2qnt s VAL 105 Ca 0.34 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2qnt s VAL 105 Cb -0.16 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 2qnt s VAL 105 CO 0.12 -0.96 -0.14 0.72 -0.31 0.00 0.00 175.10 174.53 2qnt s PHE 106 N -3.74 1.61 0.02 2.82 -0.12 -0.40 -1.33 117.98 116.85 2qnt s PHE 106 Ca 0.06 -0.58 0.02 0.00 -0.05 0.00 0.00 56.93 56.38 2qnt s PHE 106 Cb 0.07 -0.78 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 2qnt s PHE 106 CO -0.09 0.28 -0.06 1.03 -0.05 0.00 0.00 175.22 176.33 2qnt s ARG 107 N -3.36 0.43 0.25 1.99 0.52 -1.17 -1.19 118.95 116.42 2qnt s ARG 107 Ca 0.18 -0.51 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 2qnt s ARG 107 Cb -0.02 -0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.25 2qnt s ARG 107 CO 0.05 0.05 0.88 -0.59 0.02 0.00 0.00 175.30 175.71 2qnt s PHE 108 N -0.90 -0.04 -0.03 -0.53 -0.12 -0.49 -0.60 117.98 115.27 2qnt s PHE 108 Ca -0.06 -0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 56.37 2qnt s PHE 108 Cb -0.07 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 2qnt s PHE 108 CO 0.00 -1.14 0.12 0.71 -0.05 0.00 0.00 175.22 174.86 2qnt s TYR 109 N -2.94 3.42 0.91 3.49 2.02 -0.73 -0.61 117.35 122.91 2qnt s TYR 109 Ca 0.15 0.31 -0.15 0.00 -0.37 0.00 0.00 57.07 57.02 2qnt s TYR 109 Cb -0.04 -1.81 0.16 0.00 -0.40 0.00 0.00 41.96 39.87 2qnt s TYR 109 CO 0.06 0.61 1.26 0.16 -1.57 0.00 0.00 175.55 176.08 2qnt s ASP 110 N -1.62 3.55 0.65 2.29 -4.77 -0.35 -4.47 116.67 111.95 2qnt s ASP 110 Ca 0.22 0.48 0.37 0.00 -3.30 0.00 0.00 52.55 50.32 2qnt s ASP 110 Cb -0.12 -0.70 2.03 0.00 -1.09 0.00 0.00 42.92 43.04 2qnt s ASP 110 CO 0.13 -2.48 2.19 -0.65 0.70 0.00 0.00 175.17 175.07 2qnt h PRO 111 N -1.46 0.00 -0.03 2.11 0.11 -1.94 -0.78 132.00 130.01 2qnt h PRO 111 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qnt h PRO 111 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qnt h PRO 111 CO 0.49 0.00 -0.03 -0.25 -0.21 0.00 0.00 178.00 178.00 2qnt n ASP 112 N -3.23 2.78 0.00 -2.05 8.00 -1.26 -4.96 116.55 115.83 2qnt n ASP 112 Ca -0.02 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2qnt n ASP 112 Cb 0.20 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2qnt n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qnt n GLY 113 N 1.34 0.75 3.77 0.44 0.00 -0.30 -0.67 105.19 110.52 2qnt n GLY 113 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2qnt n GLY 113 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qnt s HIS 114 N -2.32 2.94 -0.05 1.61 3.76 -1.26 -4.42 115.29 115.55 2qnt s HIS 114 Ca 0.00 1.53 -0.24 0.00 -0.15 0.00 0.00 55.06 56.20 2qnt s HIS 114 Cb 0.00 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 2qnt s HIS 114 CO 0.00 -1.51 0.72 0.00 -0.85 0.00 0.00 174.74 173.10 2qnt s ALA 115 N -1.45 3.33 -0.01 -1.40 0.00 -1.26 -1.21 121.76 119.76 2qnt s ALA 115 Ca 0.60 0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.81 2qnt s ALA 115 Cb -0.31 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2qnt s ALA 115 CO 0.38 -0.09 -0.24 0.42 0.00 0.00 0.00 175.76 176.23 2qnt s ILE 116 N 0.72 1.93 -0.05 0.00 -1.09 0.22 -0.97 121.20 121.96 2qnt s ILE 116 Ca 0.38 -1.09 0.05 0.00 -2.23 0.00 0.00 60.65 57.76 2qnt s ILE 116 Cb -0.18 -1.61 -0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2qnt s ILE 116 CO 0.19 0.50 -0.21 -0.70 -1.23 0.00 0.00 174.94 173.49 2qnt s GLU 117 N -0.69 2.13 -0.20 2.79 2.12 -0.18 -1.39 118.70 123.28 2qnt s GLU 117 Ca 0.10 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2qnt s GLU 117 Cb -0.09 -1.85 0.02 0.00 0.26 0.00 0.00 34.13 32.47 2qnt s GLU 117 CO -0.00 0.34 -0.17 0.08 -0.54 0.00 0.00 175.26 174.96 2qnt s VAL 118 N -0.13 2.22 0.26 3.70 1.01 -0.33 -0.89 120.40 126.23 2qnt s VAL 118 Ca -0.02 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.08 2qnt s VAL 118 Cb -0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2qnt s VAL 118 CO 0.02 0.45 -0.15 -0.83 0.00 0.00 0.00 175.10 174.59 2qnt s GLY 119 N 1.29 1.80 0.70 4.51 0.00 -0.33 -1.27 107.32 114.01 2qnt s GLY 119 Ca 0.03 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 42.84 2qnt s GLY 119 CO -0.11 -1.83 1.20 -1.83 0.00 0.00 0.00 173.10 170.54 2qnt s GLU 120 N -3.36 2.33 0.38 2.90 -1.05 -0.50 -1.17 118.70 118.23 2qnt s GLU 120 Ca 0.28 1.76 -0.27 0.00 -0.15 0.00 0.00 54.97 56.59 2qnt s GLU 120 Cb -0.06 -1.86 -0.10 0.00 -0.44 0.00 0.00 34.13 31.68 2qnt s GLU 120 CO 0.15 -1.69 1.36 -1.12 0.95 0.00 0.00 175.26 174.91 2qnt s SER 121 N -1.98 6.44 0.00 0.83 0.01 -1.13 -4.74 113.70 113.14 2qnt s SER 121 Ca 0.75 2.78 0.15 0.00 1.31 0.00 0.00 55.95 60.94 2qnt s SER 121 Cb -0.29 -2.65 0.12 0.00 0.21 0.00 0.00 66.02 63.41 2qnt s SER 121 CO 0.43 -0.77 0.98 0.18 0.41 0.00 0.00 173.24 174.46