#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgq n VAL 32 N 0.00-13.33 -4.67 5.09 0.31 -1.26 -5.07 118.33 99.40 1rgq n VAL 32 Ca 0.00 3.02 -0.34 0.00 -0.01 0.00 0.00 64.34 67.02 1rgq n VAL 32 Cb 0.00 -6.38 -0.12 0.00 -0.91 0.00 0.00 33.84 26.43 1rgq n VAL 32 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1rgq s GLU 33 N -0.64 2.80 0.07 5.55 2.02 -1.26 -4.93 118.70 122.30 1rgq s GLU 33 Ca -0.15 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 1rgq s GLU 33 Cb 0.01 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 1rgq s GLU 33 CO 0.41 0.60 0.28 0.20 0.02 0.00 0.00 175.26 176.77 1rgq s GLY 34 N -0.65 2.22 -0.03 -1.39 0.00 -0.95 -4.67 107.32 101.85 1rgq s GLY 34 Ca 0.10 -0.69 0.08 0.00 0.00 0.00 0.00 44.72 44.21 1rgq s GLY 34 CO 0.02 -0.61 0.73 0.83 0.00 0.00 0.00 173.10 174.07 1rgq h GLU 35 N 3.23 0.05 -5.31 2.90 3.07 -1.90 -2.00 114.58 114.64 1rgq h GLU 35 Ca -0.47 -0.09 -0.65 0.00 -0.50 0.00 0.00 59.36 57.65 1rgq h GLU 35 Cb 1.17 0.03 -0.25 0.00 -0.84 0.00 0.00 28.75 28.86 1rgq h GLU 35 CO 0.72 0.70 -0.74 0.08 -1.40 0.00 0.00 179.01 178.38 1rgq s VAL 36 N -2.61 3.28 -0.08 3.13 1.01 -1.26 -1.65 120.40 122.22 1rgq s VAL 36 Ca -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1rgq s VAL 36 Cb 0.08 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1rgq s VAL 36 CO 0.82 0.51 0.02 -1.10 0.00 0.00 0.00 175.10 175.36 1rgq s GLN 37 N 0.38 3.02 -0.49 2.72 1.11 0.11 -4.98 119.66 121.54 1rgq s GLN 37 Ca -0.09 -0.39 -0.18 0.00 0.01 0.00 0.00 55.36 54.71 1rgq s GLN 37 Cb -0.15 -2.83 0.06 0.00 -1.01 0.00 0.00 33.01 29.07 1rgq s GLN 37 CO 0.05 0.70 0.53 0.42 0.01 0.00 0.00 175.29 177.00 1rgq s ILE 38 N -0.93 5.01 0.15 1.08 1.01 -1.26 -0.70 121.20 125.56 1rgq s ILE 38 Ca 0.14 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1rgq s ILE 38 Cb -0.11 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1rgq s ILE 38 CO 0.04 -0.69 0.29 0.68 0.00 0.00 0.00 174.94 175.26 1rgq s VAL 39 N 2.26 5.32 -0.10 2.92 -7.23 -0.70 -4.98 120.40 117.89 1rgq s VAL 39 Ca 0.11 -0.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.50 1rgq s VAL 39 Cb -0.21 -3.75 0.03 0.00 0.56 0.00 0.00 36.38 33.01 1rgq s VAL 39 CO 0.10 -0.10 0.25 -0.55 -0.31 0.00 0.00 175.10 174.50 1rgq s SER 40 N -3.26 -0.26 0.14 4.85 0.15 -1.26 -1.43 113.70 112.63 1rgq s SER 40 Ca 0.35 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.52 1rgq s SER 40 Cb -0.11 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1rgq s SER 40 CO 0.29 -0.09 0.10 0.35 1.20 0.00 0.00 173.24 175.09 1rgq n THR 41 N 3.05 0.00 0.16 6.45 -2.24 -0.75 -5.03 114.28 115.91 1rgq n THR 41 Ca -0.14 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1rgq n THR 41 Cb 0.58 -0.37 0.27 0.00 -2.10 0.00 0.00 70.33 68.70 1rgq n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgq h ALA 42 N 0.73 1.19 -3.00 6.98 0.00 -2.02 -3.40 119.26 119.75 1rgq h ALA 42 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rgq h ALA 42 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rgq h ALA 42 CO 0.14 0.61 0.00 0.25 0.00 0.00 0.00 179.25 180.25 1rgq n THR 43 N -3.97 0.00 -2.74 0.00 -2.24 -1.26 -5.07 114.28 99.00 1rgq n THR 43 Ca -0.02 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1rgq n THR 43 Cb 0.50 -0.31 0.10 0.00 -2.10 0.00 0.00 70.33 68.52 1rgq n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgq s GLN 44 N 0.00 1.84 -0.03 -0.78 -2.07 -1.26 -5.14 119.66 112.22 1rgq s GLN 44 Ca 0.00 -1.32 -0.00 0.00 -1.82 0.00 0.00 55.36 52.22 1rgq s GLN 44 Cb 0.00 -2.43 0.03 0.00 -1.09 0.00 0.00 33.01 29.52 1rgq s GLN 44 CO 0.00 -1.29 0.03 -0.08 -1.32 0.00 0.00 175.29 172.63 1rgq s THR 45 N -3.00 0.03 0.00 3.63 -1.32 -1.26 -1.81 115.64 111.90 1rgq s THR 45 Ca 0.65 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.35 1rgq s THR 45 Cb -0.05 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1rgq s THR 45 CO 0.43 0.14 0.00 2.22 -2.21 0.00 0.00 174.62 175.20 1rgq n PHE 46 N 4.49 0.00 -4.47 9.09 1.16 -0.51 -4.38 117.46 122.84 1rgq n PHE 46 Ca -0.21 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.15 1rgq n PHE 46 Cb 0.50 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.27 1rgq n PHE 46 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1rgq s LEU 47 N 0.00 2.53 -0.10 5.98 1.02 0.68 -1.73 118.68 127.06 1rgq s LEU 47 Ca 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 54.13 52.86 1rgq s LEU 47 Cb 0.00 -0.70 0.04 0.00 0.02 0.00 0.00 46.19 45.56 1rgq s LEU 47 CO 0.00 -0.36 0.24 0.00 0.02 0.00 0.00 176.35 176.26 1rgq s ALA 48 N -2.95 -0.56 -0.11 4.21 0.00 0.13 -4.24 121.76 118.23 1rgq s ALA 48 Ca 0.31 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1rgq s ALA 48 Cb 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1rgq s ALA 48 CO 0.14 -0.19 -0.19 0.99 0.00 0.00 0.00 175.76 176.51 1rgq s THR 49 N 1.14 2.54 -0.36 0.00 2.01 -0.12 0.04 115.64 120.88 1rgq s THR 49 Ca -0.08 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 1rgq s THR 49 Cb -0.09 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1rgq s THR 49 CO -0.08 0.55 0.70 0.00 -0.69 0.00 0.00 174.62 175.10 1rgq s ILE 51 N 2.87 0.87 -1.22 0.00 1.09 -0.80 -0.53 121.20 123.48 1rgq s ILE 51 Ca 0.27 -0.25 -0.08 0.00 -1.10 0.00 0.00 60.65 59.50 1rgq s ILE 51 Cb -0.14 -0.88 -0.01 0.00 -1.06 0.00 0.00 42.46 40.36 1rgq s ILE 51 CO 0.16 0.32 0.74 0.59 -0.10 0.00 0.00 174.94 176.65 1rgq n ASN 52 N 4.52 -3.28 -0.02 3.58 3.02 -1.23 -2.95 115.26 118.91 1rgq n ASN 52 Ca -0.17 -0.88 -0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1rgq n ASN 52 Cb 0.51 -3.94 -0.00 0.00 -0.61 0.00 0.00 39.78 35.74 1rgq n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rgq n GLY 53 N -1.59 0.25 2.88 7.41 0.00 -1.26 -4.99 105.19 107.89 1rgq n GLY 53 Ca -0.20 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1rgq n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rgq s VAL 54 N -1.46 0.33 -0.41 1.61 0.11 -1.15 -2.31 120.40 117.11 1rgq s VAL 54 Ca 0.00 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.73 1rgq s VAL 54 Cb 0.00 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1rgq s VAL 54 CO 0.00 0.15 0.94 0.00 -3.33 0.00 0.00 175.10 172.86 1rgq s TRP 56 N 3.63 3.20 0.37 0.00 0.52 -0.26 -2.03 118.94 124.37 1rgq s TRP 56 Ca 0.38 0.09 -0.14 0.00 0.02 0.00 0.00 56.10 56.46 1rgq s TRP 56 Cb -0.11 -1.64 0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1rgq s TRP 56 CO 0.22 0.52 0.74 -0.08 0.02 0.00 0.00 176.95 178.37 1rgq s THR 57 N -1.36 0.00 0.20 2.01 -1.32 -0.92 -0.95 115.64 113.31 1rgq s THR 57 Ca 0.28 -1.09 -0.25 0.00 -1.21 0.00 0.00 61.69 59.42 1rgq s THR 57 Cb -0.12 -2.79 -0.08 0.00 -1.51 0.00 0.00 72.50 68.00 1rgq s THR 57 CO 0.21 0.00 0.80 0.68 -2.21 0.00 0.00 174.62 174.10 1rgq s VAL 58 N -2.52 4.35 0.36 5.08 -7.23 -1.26 -1.86 120.40 117.32 1rgq s VAL 58 Ca 0.18 1.69 0.09 0.00 -1.81 0.00 0.00 61.98 62.12 1rgq s VAL 58 Cb -0.04 -4.10 0.11 0.00 0.56 0.00 0.00 36.38 32.91 1rgq s VAL 58 CO 0.13 0.42 1.84 0.22 -0.31 0.00 0.00 175.10 177.40 1rgq h TYR 59 N 4.01 0.23 0.00 2.82 3.20 -1.57 -2.76 116.97 122.89 1rgq h TYR 59 Ca -0.47 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1rgq h TYR 59 Cb 1.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1rgq h TYR 59 CO 0.63 0.44 0.00 -2.39 -1.64 0.00 0.00 178.16 175.20 1rgq n HIS 60 N -4.18 0.00 -0.06 -3.82 1.44 -1.26 -0.83 115.22 106.50 1rgq n HIS 60 Ca -0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.59 1rgq n HIS 60 Cb 0.35 -0.26 -0.05 0.00 0.12 0.00 0.00 29.99 30.14 1rgq n HIS 60 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rgq n GLY 61 N -0.26 -0.18 0.13 -1.39 0.00 -1.06 -4.86 105.19 97.56 1rgq n GLY 61 Ca 0.06 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1rgq n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgq n ALA 62 N -3.25 1.06 -0.01 4.61 0.00 -1.13 -4.91 120.51 116.88 1rgq n ALA 62 Ca -0.23 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1rgq n ALA 62 Cb 0.70 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1rgq n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgq n GLY 63 N 1.77 1.47 1.15 0.00 0.00 -0.01 -2.97 105.19 106.59 1rgq n GLY 63 Ca -0.40 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.14 1rgq n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgq n THR 64 N 0.00 1.61 -0.67 2.61 -2.24 -1.26 -4.90 114.28 109.43 1rgq n THR 64 Ca 0.00 -1.26 -0.29 0.00 -2.27 0.00 0.00 64.05 60.23 1rgq n THR 64 Cb 0.00 0.19 0.22 0.00 -2.10 0.00 0.00 70.33 68.65 1rgq n THR 64 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgq s ARG 65 N -1.72 -0.33 0.24 -0.78 0.52 -1.16 -4.88 118.95 110.85 1rgq s ARG 65 Ca 0.41 0.94 0.08 0.00 -0.52 0.00 0.00 55.73 56.64 1rgq s ARG 65 Cb 0.26 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.08 1rgq s ARG 65 CO 0.20 -3.36 0.05 0.95 0.02 0.00 0.00 175.30 173.16 1rgq s THR 66 N -2.57 3.79 0.05 0.02 -4.23 -1.26 -4.56 115.64 106.87 1rgq s THR 66 Ca 0.67 -1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1rgq s THR 66 Cb -0.24 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 1rgq s THR 66 CO 0.62 -0.32 0.24 0.27 -0.54 0.00 0.00 174.62 174.89 1rgq s ILE 67 N -2.16 5.36 0.13 2.99 -4.36 -1.01 -4.86 121.20 117.29 1rgq s ILE 67 Ca 0.31 -0.20 -0.26 0.00 -0.26 0.00 0.00 60.65 60.24 1rgq s ILE 67 Cb -0.07 -3.60 -0.07 0.00 1.25 0.00 0.00 42.46 39.97 1rgq s ILE 67 CO 0.21 0.20 0.79 0.00 0.24 0.00 0.00 174.94 176.38 1rgq s ALA 68 N -1.46 3.41 0.05 2.27 0.00 -1.26 -1.00 121.76 123.77 1rgq s ALA 68 Ca 0.33 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.59 1rgq s ALA 68 Cb -0.13 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1rgq s ALA 68 CO 0.24 0.21 0.13 -1.54 0.00 0.00 0.00 175.76 174.79 1rgq s SER 69 N -0.78 0.16 0.02 0.00 1.04 -1.16 -4.95 113.70 108.04 1rgq s SER 69 Ca 0.37 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.30 1rgq s SER 69 Cb -0.23 0.27 0.31 0.00 0.10 0.00 0.00 66.02 66.47 1rgq s SER 69 CO 0.26 -0.58 1.22 -2.65 0.98 0.00 0.00 173.24 172.46 1rgq n PRO 70 N 0.47 0.01 -0.04 4.02 -0.02 -1.26 -1.86 135.00 136.33 1rgq n PRO 70 Ca -0.17 0.42 0.10 0.00 -2.02 0.00 0.00 63.50 61.82 1rgq n PRO 70 Cb 0.60 -1.53 0.11 0.00 -0.02 0.00 0.00 33.50 32.65 1rgq n PRO 70 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rgq n LYS 71 N -1.56 1.98 0.00 -0.52 5.02 -1.26 -5.09 118.16 116.73 1rgq n LYS 71 Ca 0.01 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.47 1rgq n LYS 71 Cb 0.07 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1rgq n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rgq n GLY 72 N 1.19 1.33 3.74 0.72 0.00 -0.78 -5.08 105.19 106.32 1rgq n GLY 72 Ca 0.13 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1rgq n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgq s PRO 73 N -1.23 4.43 -0.19 1.61 0.02 -1.26 -2.98 135.00 135.40 1rgq s PRO 73 Ca 0.00 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 62.98 1rgq s PRO 73 Cb 0.00 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 1rgq s PRO 73 CO 0.00 -0.16 -0.02 0.08 -0.33 0.00 0.00 177.00 176.57 1rgq s VAL 74 N -0.20 3.79 0.58 3.83 1.01 -0.17 -4.94 120.40 124.31 1rgq s VAL 74 Ca 0.54 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1rgq s VAL 74 Cb -0.35 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1rgq s VAL 74 CO 0.40 0.44 1.16 -0.63 0.00 0.00 0.00 175.10 176.47 1rgq s ILE 75 N 0.96 2.92 0.33 2.22 -1.09 -1.26 -2.40 121.20 122.87 1rgq s ILE 75 Ca 0.01 0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 58.69 1rgq s ILE 75 Cb -0.14 -3.19 -0.10 0.00 -1.58 0.00 0.00 42.46 37.45 1rgq s ILE 75 CO 0.01 -0.15 1.28 -1.10 -1.23 0.00 0.00 174.94 173.75 1rgq s GLN 76 N -3.42 4.38 -0.01 2.79 -0.21 -1.26 -4.70 119.66 117.22 1rgq s GLN 76 Ca 0.74 2.15 -0.02 0.00 0.02 0.00 0.00 55.36 58.25 1rgq s GLN 76 Cb -0.26 -3.07 -0.27 0.00 1.00 0.00 0.00 33.01 30.41 1rgq s GLN 76 CO 0.32 -0.14 0.79 0.52 -2.12 0.00 0.00 175.29 174.66 1rgq h MET 77 N 3.40 0.23 -4.25 2.91 2.86 -0.27 -3.47 114.93 116.33 1rgq h MET 77 Ca -0.49 -0.39 -0.28 0.00 -2.06 0.00 0.00 59.70 56.49 1rgq h MET 77 Cb 1.22 0.14 -0.25 0.00 0.06 0.00 0.00 31.60 32.77 1rgq h MET 77 CO 0.65 1.07 -0.74 0.71 1.06 0.00 0.00 176.91 179.67 1rgq s TYR 78 N -2.61 0.43 -0.26 -0.22 1.51 -0.80 -5.01 117.35 110.38 1rgq s TYR 78 Ca -0.10 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1rgq s TYR 78 Cb 0.07 -0.27 0.13 0.00 -0.11 0.00 0.00 41.96 41.78 1rgq s TYR 78 CO 0.84 -0.05 0.31 0.99 -1.11 0.00 0.00 175.55 176.53 1rgq s THR 79 N -0.62 -0.44 -0.46 -0.71 2.01 -1.26 -1.12 115.64 113.04 1rgq s THR 79 Ca -0.04 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1rgq s THR 79 Cb -0.05 -0.90 0.12 0.00 0.01 0.00 0.00 72.50 71.69 1rgq s THR 79 CO -0.00 -0.34 0.20 0.21 -0.69 0.00 0.00 174.62 174.00 1rgq s ASN 80 N 2.40 4.65 0.51 3.53 3.04 -0.17 -4.98 114.94 123.93 1rgq s ASN 80 Ca 0.09 -2.60 0.23 0.00 0.04 0.00 0.00 52.86 50.62 1rgq s ASN 80 Cb -0.14 -1.67 1.37 0.00 -1.54 0.00 0.00 41.25 39.26 1rgq s ASN 80 CO -0.26 -0.33 2.09 1.62 -3.04 0.00 0.00 177.10 177.19 1rgq h VAL 81 N 5.95 0.78 -0.02 -5.21 3.04 -1.97 -1.27 116.25 117.56 1rgq h VAL 81 Ca -0.06 -0.42 -0.25 0.00 -1.01 0.00 0.00 66.70 64.96 1rgq h VAL 81 Cb 0.96 1.25 0.02 0.00 -2.01 0.00 0.00 31.29 31.50 1rgq h VAL 81 CO 0.63 0.11 -0.98 0.44 -1.01 0.00 0.00 177.57 176.76 1rgq h ASP 82 N 0.00 0.89 -0.35 3.17 3.32 -1.93 -3.25 116.42 118.26 1rgq h ASP 82 Ca -0.00 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.32 1rgq h ASP 82 Cb 0.24 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1rgq h ASP 82 CO 0.01 1.50 0.00 0.00 -1.72 0.00 0.00 179.24 179.03 1rgq n GLN 83 N -3.90 1.94 -3.40 3.56 6.02 -1.19 -4.92 117.38 115.49 1rgq n GLN 83 Ca -0.11 -1.45 -0.24 0.00 -0.01 0.00 0.00 57.00 55.20 1rgq n GLN 83 Cb 0.85 -1.35 0.06 0.00 1.02 0.00 0.00 30.24 30.82 1rgq n GLN 83 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1rgq n ASP 84 N 0.67 -6.31 -4.51 1.08 2.03 -1.13 -4.95 116.55 103.43 1rgq n ASP 84 Ca 0.15 -0.46 -0.33 0.00 0.52 0.00 0.00 54.79 54.68 1rgq n ASP 84 Cb 0.36 -5.01 -0.12 0.00 -0.72 0.00 0.00 41.12 35.63 1rgq n ASP 84 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1rgq s LEU 85 N -7.10 2.86 0.00 -2.67 2.96 -0.49 -1.60 118.68 112.64 1rgq s LEU 85 Ca 0.49 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1rgq s LEU 85 Cb -0.22 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1rgq s LEU 85 CO 0.61 0.33 0.01 -0.69 -1.32 0.00 0.00 176.35 175.29 1rgq s VAL 86 N -0.81 0.06 -0.17 1.68 1.01 -0.78 -1.00 120.40 120.40 1rgq s VAL 86 Ca 0.13 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1rgq s VAL 86 Cb -0.11 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.15 1rgq s VAL 86 CO 0.02 -0.26 0.44 -0.83 0.00 0.00 0.00 175.10 174.47 1rgq s GLY 87 N -0.78 -0.34 0.23 4.51 0.00 -0.28 -2.16 107.32 108.51 1rgq s GLY 87 Ca -0.09 1.40 0.07 0.00 0.00 0.00 0.00 44.72 46.10 1rgq s GLY 87 CO -0.00 1.37 -0.10 -0.98 0.00 0.00 0.00 173.10 173.39 1rgq s TRP 88 N 0.76 1.77 0.43 1.90 0.51 -0.86 0.52 118.94 123.97 1rgq s TRP 88 Ca -0.04 -0.66 -0.24 0.00 -2.12 0.00 0.00 56.10 53.03 1rgq s TRP 88 Cb -0.05 -0.92 -0.08 0.00 -0.81 0.00 0.00 33.47 31.61 1rgq s TRP 88 CO -0.06 0.28 1.22 -1.25 -0.51 0.00 0.00 176.95 176.63 1rgq s PRO 89 N -3.70 3.86 0.05 4.98 0.04 -1.26 -0.67 135.00 138.30 1rgq s PRO 89 Ca 0.26 1.94 -0.36 0.00 0.04 0.00 0.00 61.00 62.88 1rgq s PRO 89 Cb 0.02 -2.58 -0.15 0.00 0.04 0.00 0.00 34.50 31.83 1rgq s PRO 89 CO 0.09 -0.51 1.56 0.00 0.04 0.00 0.00 177.00 178.17 1rgq n ALA 90 N -0.18 0.33 -1.32 8.56 0.00 -0.98 -4.49 120.51 122.43 1rgq n ALA 90 Ca 0.06 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.77 1rgq n ALA 90 Cb 0.46 -2.27 0.20 0.00 0.00 0.00 0.00 19.45 17.84 1rgq n ALA 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rgq n PRO 91 N 3.79 -2.17 -2.80 0.00 -0.04 -1.26 -4.97 135.00 127.55 1rgq n PRO 91 Ca 0.19 -1.57 -0.37 0.00 -0.04 0.00 0.00 63.50 61.71 1rgq n PRO 91 Cb 0.24 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1rgq n PRO 91 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1rgq s GLN 92 N -5.22 4.59 0.00 0.54 -0.21 -1.26 -3.67 119.66 114.43 1rgq s GLN 92 Ca 0.61 1.32 0.00 0.00 0.02 0.00 0.00 55.36 57.31 1rgq s GLN 92 Cb -0.04 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.11 1rgq s GLN 92 CO 0.45 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 174.34 1rgq n GLY 93 N 0.66 0.52 3.25 3.09 0.00 -1.26 -5.05 105.19 106.40 1rgq n GLY 93 Ca 0.01 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 1rgq n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rgq s SER 94 N -2.88 1.93 -0.01 1.61 1.04 -1.24 -2.25 113.70 111.91 1rgq s SER 94 Ca 0.00 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.46 1rgq s SER 94 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1rgq s SER 94 CO 0.00 -0.23 0.10 0.00 0.98 0.00 0.00 173.24 174.09 1rgq s ARG 95 N -3.24 0.35 0.19 4.02 1.70 -0.75 -4.79 118.95 116.43 1rgq s ARG 95 Ca 0.13 -0.27 -0.13 0.00 -0.47 0.00 0.00 55.73 54.99 1rgq s ARG 95 Cb -0.01 0.14 -0.07 0.00 -0.57 0.00 0.00 34.95 34.44 1rgq s ARG 95 CO 0.02 -0.07 0.57 -1.12 -1.08 0.00 0.00 175.30 173.62 1rgq s SER 96 N -0.96 6.78 0.05 -2.89 0.01 -1.26 -4.05 113.70 111.38 1rgq s SER 96 Ca -0.10 1.07 -0.19 0.00 1.31 0.00 0.00 55.95 58.03 1rgq s SER 96 Cb -0.06 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 1rgq s SER 96 CO 0.01 0.03 0.55 -0.76 0.41 0.00 0.00 173.24 173.48 1rgq s LEU 97 N -2.28 4.50 0.03 2.44 1.43 0.31 -4.88 118.68 120.23 1rgq s LEU 97 Ca 0.42 1.20 -0.20 0.00 -1.03 0.00 0.00 54.13 54.52 1rgq s LEU 97 Cb -0.14 -2.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 1rgq s LEU 97 CO 0.20 0.25 0.59 0.28 0.23 0.00 0.00 176.35 177.89 1rgq s THR 98 N -0.91 4.82 0.57 5.49 -1.32 -1.26 -3.49 115.64 119.54 1rgq s THR 98 Ca 0.29 1.25 -0.20 0.00 -1.21 0.00 0.00 61.69 61.82 1rgq s THR 98 Cb -0.19 -3.93 -0.04 0.00 -1.51 0.00 0.00 72.50 66.83 1rgq s THR 98 CO 0.18 0.48 1.25 -2.16 -2.21 0.00 0.00 174.62 172.15 1rgq s PRO 99 N -0.61 3.09 0.31 7.08 0.04 -1.26 -1.85 135.00 141.80 1rgq s PRO 99 Ca 0.30 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 1rgq s PRO 99 Cb -0.19 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 1rgq s PRO 99 CO 0.18 -1.14 1.36 0.00 0.04 0.00 0.00 177.00 177.44 1rgq n THR 101 N 1.25 0.14 0.74 0.00 -2.24 -1.26 -4.82 114.28 108.09 1rgq n THR 101 Ca 0.02 -0.38 0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1rgq n THR 101 Cb 0.41 1.23 0.08 0.00 -2.10 0.00 0.00 70.33 69.95 1rgq n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgq n GLY 103 N 1.42 0.13 3.79 0.00 0.00 -1.26 -4.98 105.19 104.29 1rgq n GLY 103 Ca 0.03 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1rgq n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rgq s SER 104 N -2.27 5.87 0.00 1.61 0.15 -1.26 -4.97 113.70 112.82 1rgq s SER 104 Ca 0.00 1.91 0.16 0.00 0.70 0.00 0.00 55.95 58.72 1rgq s SER 104 Cb 0.00 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.84 1rgq s SER 104 CO 0.00 -1.11 0.96 -1.20 1.20 0.00 0.00 173.24 173.09 1rgq n SER 105 N -1.68 2.08 -4.39 5.45 7.64 -1.26 -4.80 113.62 116.66 1rgq n SER 105 Ca 0.09 -1.54 -0.45 0.00 1.01 0.00 0.00 58.87 57.98 1rgq n SER 105 Cb 0.52 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.89 1rgq n SER 105 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1rgq s ASP 106 N -1.59 6.68 0.35 6.43 1.11 -1.26 -1.17 116.67 127.22 1rgq s ASP 106 Ca 0.17 -2.34 0.02 0.00 0.18 0.00 0.00 52.55 50.58 1rgq s ASP 106 Cb 0.13 -2.31 -0.02 0.00 1.07 0.00 0.00 42.92 41.80 1rgq s ASP 106 CO 0.28 -0.83 0.54 -0.76 1.18 0.00 0.00 175.17 175.59 1rgq s LEU 107 N 1.48 3.97 -0.07 1.23 1.43 0.59 -3.98 118.68 123.33 1rgq s LEU 107 Ca 0.25 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1rgq s LEU 107 Cb -0.08 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.02 1rgq s LEU 107 CO -0.09 -0.37 0.05 -0.31 0.23 0.00 0.00 176.35 175.86 1rgq s TYR 108 N -2.31 0.26 -0.03 0.29 1.51 0.95 -0.62 117.35 117.39 1rgq s TYR 108 Ca 0.42 0.06 -0.19 0.00 -1.01 0.00 0.00 57.07 56.34 1rgq s TYR 108 Cb -0.10 -0.60 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1rgq s TYR 108 CO 0.35 -0.27 0.55 -1.17 -1.11 0.00 0.00 175.55 173.90 1rgq s LEU 109 N 2.11 4.38 -0.21 -1.29 0.20 0.06 -0.73 118.68 123.20 1rgq s LEU 109 Ca 0.04 1.05 -0.06 0.00 0.69 0.00 0.00 54.13 55.86 1rgq s LEU 109 Cb -0.13 -2.83 -0.03 0.00 -0.43 0.00 0.00 46.19 42.77 1rgq s LEU 109 CO -0.04 0.09 0.04 -0.69 -0.29 0.00 0.00 176.35 175.46 1rgq s VAL 110 N -0.05 4.27 0.79 1.68 1.01 -1.11 -0.59 120.40 126.41 1rgq s VAL 110 Ca 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1rgq s VAL 110 Cb -0.17 -2.95 0.16 0.00 0.00 0.00 0.00 36.38 33.42 1rgq s VAL 110 CO 0.15 0.41 1.09 0.42 0.00 0.00 0.00 175.10 177.16 1rgq s THR 111 N 1.03 2.03 -0.51 3.92 -4.23 -0.47 -4.47 115.64 112.94 1rgq s THR 111 Ca 0.03 -0.49 0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1rgq s THR 111 Cb -0.14 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.43 1rgq s THR 111 CO 0.02 0.00 1.75 0.08 -0.54 0.00 0.00 174.62 175.93 1rgq h ARG 112 N -0.82 0.00 -0.02 3.99 0.11 -1.88 -2.58 114.38 113.17 1rgq h ARG 112 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1rgq h ARG 112 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1rgq h ARG 112 CO 0.37 0.00 -0.23 0.72 0.10 0.00 0.00 179.97 180.92 1rgq n HIS 113 N -2.34 0.00 -1.61 4.08 8.25 -1.26 -4.97 115.22 117.37 1rgq n HIS 113 Ca 0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1rgq n HIS 113 Cb 0.31 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 1rgq n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rgq n ALA 114 N 0.35 -0.06 -2.29 -1.41 0.00 -0.97 -5.06 120.51 111.07 1rgq n ALA 114 Ca 0.12 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 1rgq n ALA 114 Cb 0.48 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1rgq n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgq s ASP 115 N -2.93 6.70 -0.19 0.00 1.01 -1.26 -4.83 116.67 115.18 1rgq s ASP 115 Ca 0.00 1.09 -0.03 0.00 0.71 0.00 0.00 52.55 54.31 1rgq s ASP 115 Cb 0.00 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 1rgq s ASP 115 CO 0.00 -0.12 -0.05 -0.69 0.21 0.00 0.00 175.17 174.52 1rgq s VAL 116 N -1.86 3.49 -0.18 -1.27 1.01 -1.26 -1.37 120.40 118.95 1rgq s VAL 116 Ca 0.50 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1rgq s VAL 116 Cb -0.11 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1rgq s VAL 116 CO 0.19 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 175.04 1rgq s ILE 117 N 1.00 3.26 0.07 2.22 1.01 0.24 -4.94 121.20 124.06 1rgq s ILE 117 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 1rgq s ILE 117 Cb -0.15 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 1rgq s ILE 117 CO 0.00 0.47 1.27 -2.84 0.00 0.00 0.00 174.94 173.84 1rgq s PRO 118 N 0.99 4.39 -0.02 2.79 0.02 -1.26 -0.76 135.00 141.14 1rgq s PRO 118 Ca -0.01 1.87 0.04 0.00 0.02 0.00 0.00 61.00 62.93 1rgq s PRO 118 Cb -0.15 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1rgq s PRO 118 CO -0.00 -0.33 -0.14 0.08 -0.33 0.00 0.00 177.00 176.27 1rgq s VAL 119 N 1.15 1.16 -0.18 3.83 1.01 0.21 -2.75 120.40 124.83 1rgq s VAL 119 Ca 0.61 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1rgq s VAL 119 Cb -0.32 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1rgq s VAL 119 CO 0.29 0.34 0.04 -0.60 0.00 0.00 0.00 175.10 175.17 1rgq s ARG 120 N -0.13 3.91 -0.20 2.72 3.00 0.17 -0.30 118.95 128.11 1rgq s ARG 120 Ca 0.01 -0.38 -0.29 0.00 -1.00 0.00 0.00 55.73 54.07 1rgq s ARG 120 Cb -0.08 -3.15 -0.01 0.00 0.00 0.00 0.00 34.95 31.71 1rgq s ARG 120 CO 0.00 0.27 1.29 0.50 0.00 0.00 0.00 175.30 177.36 1rgq s ARG 121 N 0.36 4.13 -0.32 5.12 3.52 -0.32 0.53 118.95 131.98 1rgq s ARG 121 Ca 0.01 1.56 0.07 0.00 -0.13 0.00 0.00 55.73 57.25 1rgq s ARG 121 Cb -0.13 -3.81 0.46 0.00 -1.56 0.00 0.00 34.95 29.92 1rgq s ARG 121 CO 0.01 -0.84 1.36 0.54 -0.81 0.00 0.00 175.30 175.56 1rgq n ARG 122 N 6.83 2.62 -2.41 5.12 5.12 0.13 -4.94 116.66 129.13 1rgq n ARG 122 Ca 0.14 -3.64 0.00 0.00 -1.93 0.00 0.00 57.85 52.42 1rgq n ARG 122 Cb 0.45 -2.02 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 1rgq n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rgq n GLY 123 N -0.93 -0.42 0.24 -0.13 0.00 -1.11 -4.73 105.19 98.11 1rgq n GLY 123 Ca 0.38 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1rgq n GLY 123 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rgq h ASP 124 N 0.00 0.85 0.00 1.61 3.58 -2.00 -3.35 116.42 117.11 1rgq h ASP 124 Ca 0.00 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 1rgq h ASP 124 Cb 0.00 -0.24 -0.09 0.00 1.72 0.00 0.00 39.33 40.72 1rgq h ASP 124 CO 0.00 1.18 -0.56 -1.54 -2.88 0.00 0.00 179.24 175.44 1rgq n SER 125 N -4.02 0.65 -4.12 2.28 3.41 -1.26 -4.65 113.62 105.91 1rgq n SER 125 Ca -0.03 -2.25 -0.22 0.00 -0.26 0.00 0.00 58.87 56.10 1rgq n SER 125 Cb 0.58 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 1rgq n SER 125 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rgq s ARG 126 N -0.57 1.14 -0.05 4.33 1.81 -1.26 -1.81 118.95 122.54 1rgq s ARG 126 Ca 0.15 -0.56 -0.12 0.00 -1.72 0.00 0.00 55.73 53.47 1rgq s ARG 126 Cb 0.15 -1.11 0.02 0.00 -0.45 0.00 0.00 34.95 33.56 1rgq s ARG 126 CO -0.04 0.30 0.28 0.20 -0.68 0.00 0.00 175.30 175.36 1rgq s GLY 127 N -0.48 -0.14 0.01 -3.53 0.00 -0.81 -0.69 107.32 101.68 1rgq s GLY 127 Ca 0.05 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1rgq s GLY 127 CO -0.00 0.26 -0.04 -1.35 0.00 0.00 0.00 173.10 171.97 1rgq s SER 128 N -0.81 4.80 0.28 1.64 1.04 0.19 0.11 113.70 120.94 1rgq s SER 128 Ca -0.09 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 55.95 1rgq s SER 128 Cb -0.05 -1.16 -0.09 0.00 0.10 0.00 0.00 66.02 64.82 1rgq s SER 128 CO 0.02 0.27 0.94 -0.76 0.98 0.00 0.00 173.24 174.70 1rgq s LEU 129 N -1.54 4.50 0.35 2.42 1.43 -0.22 0.41 118.68 126.03 1rgq s LEU 129 Ca 0.18 1.89 0.24 0.00 -1.03 0.00 0.00 54.13 55.41 1rgq s LEU 129 Cb -0.11 -3.80 0.42 0.00 0.03 0.00 0.00 46.19 42.72 1rgq s LEU 129 CO 0.09 0.05 1.58 -0.07 0.23 0.00 0.00 176.35 178.23 1rgq h LEU 130 N 3.68 0.00 -6.97 1.79 4.07 -1.83 -3.41 115.31 112.64 1rgq h LEU 130 Ca -0.46 -0.01 -0.52 0.00 0.08 0.00 0.00 57.88 56.97 1rgq h LEU 130 Cb 1.20 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.53 1rgq h LEU 130 CO 0.67 0.01 -0.77 -0.44 -1.08 0.00 0.00 178.44 176.82 1rgq s SER 131 N -5.64 3.23 -0.14 -0.43 0.01 -1.26 -5.12 113.70 104.36 1rgq s SER 131 Ca 0.07 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.93 1rgq s SER 131 Cb 0.08 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 1rgq s SER 131 CO 0.67 -0.40 1.95 -2.16 0.41 0.00 0.00 173.24 173.71 1rgq s PRO 132 N 2.01 3.66 0.20 12.44 0.04 -1.26 -5.01 135.00 147.08 1rgq s PRO 132 Ca 0.06 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.25 1rgq s PRO 132 Cb -0.16 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 1rgq s PRO 132 CO -0.25 -1.49 0.19 1.03 0.04 0.00 0.00 177.00 176.53 1rgq s ARG 133 N 5.22 3.01 0.70 4.56 3.00 -1.02 -4.88 118.95 129.54 1rgq s ARG 133 Ca 0.87 -0.89 -0.14 0.00 0.00 0.00 0.00 55.73 55.56 1rgq s ARG 133 Cb -0.33 -2.67 0.02 0.00 0.00 0.00 0.00 34.95 31.97 1rgq s ARG 133 CO 0.35 0.46 1.13 -1.25 0.00 0.00 0.00 175.30 175.99 1rgq s PRO 134 N -3.44 2.52 0.35 3.54 0.04 -1.26 0.24 135.00 136.99 1rgq s PRO 134 Ca 0.32 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1rgq s PRO 134 Cb -0.09 -1.91 0.77 0.00 0.04 0.00 0.00 34.50 33.31 1rgq s PRO 134 CO 0.25 -1.48 1.89 0.97 0.04 0.00 0.00 177.00 178.66 1rgq h ILE 135 N -0.21 0.90 -0.97 0.56 2.10 -1.08 -2.73 117.51 116.06 1rgq h ILE 135 Ca -0.47 -0.26 0.09 0.00 1.08 0.00 0.00 64.86 65.31 1rgq h ILE 135 Cb 1.26 0.09 -0.08 0.00 -1.09 0.00 0.00 36.82 37.00 1rgq h ILE 135 CO 0.52 0.14 0.61 0.77 -1.08 0.00 0.00 178.15 179.11 1rgq h SER 136 N 0.74 0.94 -0.52 2.19 4.64 -1.93 -1.89 113.55 117.72 1rgq h SER 136 Ca 0.42 0.03 0.11 0.00 -0.47 0.00 0.00 61.79 61.88 1rgq h SER 136 Cb 0.57 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1rgq h SER 136 CO -0.18 0.55 0.36 0.22 -0.87 0.00 0.00 176.83 176.91 1rgq h TYR 137 N 1.04 0.26 0.00 4.77 3.20 -1.87 -1.55 116.97 122.82 1rgq h TYR 137 Ca 0.45 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.33 1rgq h TYR 137 Cb 0.33 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1rgq h TYR 137 CO -0.01 0.12 -1.16 1.28 -1.64 0.00 0.00 178.16 176.75 1rgq n LEU 138 N -4.45 0.65 -4.67 2.82 7.99 -0.75 -4.89 117.00 113.69 1rgq n LEU 138 Ca 0.09 -0.22 -0.42 0.00 -0.01 0.00 0.00 56.01 55.45 1rgq n LEU 138 Cb 0.42 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.65 1rgq n LEU 138 CO 0.35 0.13 1.52 -0.54 -1.51 0.00 0.00 177.39 177.33 1rgq s LYS 139 N -3.16 4.15 0.00 3.23 -0.14 -0.59 -2.03 119.74 121.20 1rgq s LYS 139 Ca 0.04 2.54 0.00 0.00 -1.36 0.00 0.00 55.97 57.19 1rgq s LYS 139 Cb 0.15 -3.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 1rgq s LYS 139 CO 0.84 -0.89 0.00 0.41 -0.76 0.00 0.00 175.35 174.95 1rgq n GLY 140 N 4.36 0.69 1.23 -3.33 0.00 -1.26 -4.93 105.19 101.96 1rgq n GLY 140 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1rgq n GLY 140 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgq n SER 141 N 0.00 3.98 -4.74 1.61 7.64 -0.86 -4.06 113.62 117.19 1rgq n SER 141 Ca 0.00 -2.22 -0.41 0.00 1.01 0.00 0.00 58.87 57.25 1rgq n SER 141 Cb 0.00 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 1rgq n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rgq s SER 142 N -1.04 7.31 0.00 6.43 0.01 -1.26 -2.81 113.70 122.34 1rgq s SER 142 Ca 0.43 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.73 1rgq s SER 142 Cb 0.25 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1rgq s SER 142 CO 0.25 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1rgq n GLY 143 N 2.07 0.49 3.89 3.44 0.00 0.77 -0.23 105.19 115.63 1rgq n GLY 143 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1rgq n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rgq s GLY 144 N -1.26 1.59 0.34 -0.02 0.00 -1.12 -3.07 107.32 103.77 1rgq s GLY 144 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 44.72 44.08 1rgq s GLY 144 CO 0.00 -0.15 0.55 2.56 0.00 0.00 0.00 173.10 176.06 1rgq s PRO 145 N -5.56 3.50 -0.25 2.90 0.04 -1.26 -0.80 135.00 133.57 1rgq s PRO 145 Ca 0.62 -0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.39 1rgq s PRO 145 Cb -0.11 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.83 1rgq s PRO 145 CO 0.49 0.15 -0.07 -0.51 0.04 0.00 0.00 177.00 177.10 1rgq s LEU 146 N -4.23 3.07 0.21 -3.56 1.02 0.20 -2.73 118.68 112.66 1rgq s LEU 146 Ca 0.40 -1.33 0.00 0.00 0.02 0.00 0.00 54.13 53.23 1rgq s LEU 146 Cb -0.10 -1.37 -0.04 0.00 0.02 0.00 0.00 46.19 44.71 1rgq s LEU 146 CO 0.36 -0.22 0.38 -0.76 0.02 0.00 0.00 176.35 176.12 1rgq s LEU 147 N 1.24 4.24 0.60 1.79 1.43 0.09 -0.59 118.68 127.47 1rgq s LEU 147 Ca -0.06 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1rgq s LEU 147 Cb -0.19 -3.11 0.08 0.00 0.03 0.00 0.00 46.19 43.00 1rgq s LEU 147 CO -0.06 -0.05 0.82 0.00 0.23 0.00 0.00 176.35 177.29 1rgq h PRO 149 N -0.00 0.00 -0.00 0.00 0.11 -1.91 -0.10 132.00 130.10 1rgq h PRO 149 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1rgq h PRO 149 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1rgq h PRO 149 CO 0.43 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.81 1rgq n ALA 150 N -1.71 3.32 -0.57 -0.75 0.00 -1.26 -4.92 120.51 114.62 1rgq n ALA 150 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1rgq n ALA 150 Cb 0.17 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1rgq n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgq n GLY 151 N 1.49 0.76 3.80 0.00 0.00 -0.05 -5.05 105.19 106.15 1rgq n GLY 151 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1rgq n GLY 151 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rgq s HIS 152 N -2.71 3.56 -0.08 1.61 3.76 -1.26 -4.77 115.29 115.40 1rgq s HIS 152 Ca 0.00 1.60 -0.30 0.00 -0.15 0.00 0.00 55.06 56.21 1rgq s HIS 152 Cb 0.00 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.85 1rgq s HIS 152 CO 0.00 0.16 1.47 0.00 -0.85 0.00 0.00 174.74 175.52 1rgq s ALA 153 N -1.76 3.63 -0.22 -1.40 0.00 -0.77 -1.58 121.76 119.65 1rgq s ALA 153 Ca 0.52 0.77 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1rgq s ALA 153 Cb -0.15 -3.67 -0.20 0.00 0.00 0.00 0.00 23.12 19.09 1rgq s ALA 153 CO 0.20 -1.22 -0.04 0.28 0.00 0.00 0.00 175.76 174.98 1rgq n VAL 154 N 5.27 1.52 -3.91 0.00 0.31 0.24 -0.95 118.33 120.82 1rgq n VAL 154 Ca 0.15 -0.65 0.02 0.00 -0.01 0.00 0.00 64.34 63.85 1rgq n VAL 154 Cb 0.44 -1.26 0.01 0.00 -0.91 0.00 0.00 33.84 32.11 1rgq n VAL 154 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rgq s GLY 155 N -6.11 -0.17 -0.17 2.92 0.00 -1.14 -1.41 107.32 101.23 1rgq s GLY 155 Ca -0.27 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.56 1rgq s GLY 155 CO 0.68 4.31 -0.04 1.08 0.00 0.00 0.00 173.10 179.13 1rgq s LEU 156 N -3.61 3.14 0.03 0.66 1.02 0.17 -0.63 118.68 119.46 1rgq s LEU 156 Ca 0.26 -0.20 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 1rgq s LEU 156 Cb 0.00 -1.77 -0.09 0.00 0.02 0.00 0.00 46.19 44.36 1rgq s LEU 156 CO -0.01 0.12 1.98 0.12 0.02 0.00 0.00 176.35 178.58 1rgq s PHE 157 N 0.67 1.27 -0.12 0.29 5.36 0.02 -1.07 117.98 124.41 1rgq s PHE 157 Ca -0.02 -0.43 -0.12 0.00 -0.96 0.00 0.00 56.93 55.39 1rgq s PHE 157 Cb -0.14 -4.24 -0.04 0.00 -0.34 0.00 0.00 43.02 38.26 1rgq s PHE 157 CO 0.02 -5.53 -0.24 -2.13 -1.46 0.00 0.00 175.22 165.88 1rgq n ARG 158 N 7.59 0.36 -3.78 10.12 0.63 -0.31 -0.16 116.66 131.10 1rgq n ARG 158 Ca 0.20 0.14 -0.11 0.00 -0.92 0.00 0.00 57.85 57.16 1rgq n ARG 158 Cb 0.41 -1.13 -0.08 0.00 0.45 0.00 0.00 32.46 32.11 1rgq n ARG 158 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rgq s ALA 159 N -2.92 -0.58 -0.05 5.13 0.00 -1.04 -4.79 121.76 117.51 1rgq s ALA 159 Ca -0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 1rgq s ALA 159 Cb 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1rgq s ALA 159 CO 0.29 -0.38 0.17 0.00 0.00 0.00 0.00 175.76 175.84 1rgq s ALA 160 N -2.46 3.92 -0.49 0.00 0.00 -1.26 -0.65 121.76 120.81 1rgq s ALA 160 Ca -0.06 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 1rgq s ALA 160 Cb -0.01 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1rgq s ALA 160 CO -0.03 0.70 0.87 0.08 0.00 0.00 0.00 175.76 177.38 1rgq s VAL 161 N -1.22 4.52 -0.13 0.00 1.01 -0.48 -4.94 120.40 119.15 1rgq s VAL 161 Ca 0.23 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1rgq s VAL 161 Cb -0.12 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1rgq s VAL 161 CO 0.13 -0.90 -0.06 0.00 0.00 0.00 0.00 175.10 174.27 1rgq s THR 163 N 0.08 0.32 0.00 0.00 -4.23 -0.94 -4.83 115.64 106.04 1rgq s THR 163 Ca -0.01 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1rgq s THR 163 Cb -0.14 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.98 1rgq s THR 163 CO 0.03 -0.03 0.00 0.54 -0.54 0.00 0.00 174.62 174.62 1rgq n ARG 164 N 5.14 -0.35 0.00 3.99 1.74 -1.26 -2.59 116.66 123.34 1rgq n ARG 164 Ca -0.08 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1rgq n ARG 164 Cb 0.49 -3.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.36 1rgq n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rgq n GLY 165 N -1.70 0.55 3.67 -0.13 0.00 -1.26 -5.08 105.19 101.24 1rgq n GLY 165 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1rgq n GLY 165 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgq s VAL 166 N -2.00 4.48 -0.23 1.61 -7.23 -1.07 -0.44 120.40 115.52 1rgq s VAL 166 Ca 0.00 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.88 1rgq s VAL 166 Cb 0.00 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 1rgq s VAL 166 CO 0.00 0.56 0.23 0.42 -0.31 0.00 0.00 175.10 176.00 1rgq s THR 167 N -0.48 5.32 -0.09 5.32 -4.23 0.14 -2.22 115.64 119.39 1rgq s THR 167 Ca 0.09 0.33 0.15 0.00 -1.18 0.00 0.00 61.69 61.08 1rgq s THR 167 Cb -0.12 -3.56 -0.22 0.00 1.34 0.00 0.00 72.50 69.94 1rgq s THR 167 CO 0.02 0.32 0.19 0.29 -0.54 0.00 0.00 174.62 174.90 1rgq n LYS 168 N 4.31 1.07 -4.19 3.99 5.02 -1.15 -2.43 118.16 124.78 1rgq n LYS 168 Ca -0.13 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 1rgq n LYS 168 Cb 0.52 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 1rgq n LYS 168 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rgq s ALA 169 N -2.71 1.08 0.12 7.82 0.00 -1.25 -1.05 121.76 125.76 1rgq s ALA 169 Ca -0.07 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1rgq s ALA 169 Cb 0.07 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.52 1rgq s ALA 169 CO 0.64 -0.61 -0.10 0.14 0.00 0.00 0.00 175.76 175.83 1rgq s VAL 170 N -4.15 1.04 -0.06 0.00 -7.23 0.12 -1.39 120.40 108.72 1rgq s VAL 170 Ca 0.38 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1rgq s VAL 170 Cb 0.06 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 1rgq s VAL 170 CO 0.12 -0.65 -0.20 -0.62 -0.31 0.00 0.00 175.10 173.44 1rgq s ASP 171 N -2.79 2.54 0.21 4.85 -1.08 0.17 -1.92 116.67 118.64 1rgq s ASP 171 Ca 0.11 -0.43 0.01 0.00 -0.52 0.00 0.00 52.55 51.71 1rgq s ASP 171 Cb -0.00 -0.89 -0.05 0.00 -1.46 0.00 0.00 42.92 40.52 1rgq s ASP 171 CO 0.00 0.16 0.07 0.72 0.52 0.00 0.00 175.17 176.63 1rgq s PHE 172 N 0.17 1.30 -0.35 -5.34 -0.71 -0.75 -1.17 117.98 111.12 1rgq s PHE 172 Ca -0.09 -1.16 -0.10 0.00 -1.04 0.00 0.00 56.93 54.53 1rgq s PHE 172 Cb -0.14 -0.73 0.01 0.00 -1.21 0.00 0.00 43.02 40.95 1rgq s PHE 172 CO 0.04 -0.36 0.19 0.42 -1.34 0.00 0.00 175.22 174.17 1rgq s ILE 173 N -3.82 4.58 0.62 -4.49 1.01 -0.23 -4.68 121.20 114.19 1rgq s ILE 173 Ca 0.32 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 1rgq s ILE 173 Cb 0.07 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 1rgq s ILE 173 CO 0.09 -0.12 1.13 -2.16 0.00 0.00 0.00 174.94 173.88 1rgq s PRO 174 N 1.57 2.95 0.59 2.79 0.04 -1.26 -0.65 135.00 141.03 1rgq s PRO 174 Ca 0.03 1.52 0.28 0.00 0.04 0.00 0.00 61.00 62.88 1rgq s PRO 174 Cb -0.18 -1.96 1.67 0.00 0.04 0.00 0.00 34.50 34.06 1rgq s PRO 174 CO 0.06 -1.15 2.12 -0.39 0.04 0.00 0.00 177.00 177.69 1rgq h VAL 175 N 0.47 0.50 0.00 -0.36 -1.51 -1.55 -1.89 116.25 111.90 1rgq h VAL 175 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1rgq h VAL 175 Cb 1.26 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1rgq h VAL 175 CO 0.55 0.00 0.00 1.05 -1.23 0.00 0.00 177.57 177.94 1rgq h GLU 176 N 0.00 0.00 0.13 5.19 9.09 -1.92 -1.06 114.58 126.01 1rgq h GLU 176 Ca 0.07 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.19 1rgq h GLU 176 Cb 0.41 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1rgq h GLU 176 CO -0.00 0.00 -1.38 -0.91 0.05 0.00 0.00 179.01 176.77 1rgq h ASN 177 N 0.00 0.42 -0.30 3.06 4.21 -1.71 -3.01 115.58 118.24 1rgq h ASN 177 Ca 0.00 -0.50 -0.16 0.00 1.21 0.00 0.00 56.30 56.86 1rgq h ASN 177 Cb 0.41 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1rgq h ASN 177 CO 0.00 1.40 -0.42 -0.07 -1.29 0.00 0.00 177.43 177.06 1rgq h LEU 178 N 0.07 0.89 -1.38 1.61 3.38 -1.47 -2.88 115.31 115.54 1rgq h LEU 178 Ca -0.19 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.23 1rgq h LEU 178 Cb 2.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1rgq h LEU 178 CO 0.19 1.22 -0.25 -0.33 0.09 0.00 0.00 178.44 179.35 1rgq h GLU 179 N 0.59 0.00 0.15 1.13 5.08 -1.30 -2.97 114.58 117.26 1rgq h GLU 179 Ca 0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.06 1rgq h GLU 179 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1rgq h GLU 179 CO 0.10 0.25 -1.68 1.79 -1.00 0.00 0.00 179.01 178.47 1rgq h THR 180 N 0.00 1.00 0.00 1.13 1.35 -1.56 -3.25 112.91 111.58 1rgq h THR 180 Ca -0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1rgq h THR 180 Cb 0.62 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1rgq h THR 180 CO 0.03 0.83 0.00 0.74 -0.25 0.00 0.00 175.52 176.87 1rgq h THR 181 N 0.09 0.00 0.16 6.82 2.02 -1.42 -1.58 112.91 119.00 1rgq h THR 181 Ca -0.31 -0.04 -0.35 0.00 0.77 0.00 0.00 66.41 66.49 1rgq h THR 181 Cb 2.06 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1rgq h THR 181 CO 0.16 0.00 -1.79 0.24 0.37 0.00 0.00 175.52 174.50 1rgq h MET 182 N 0.00 0.35 0.00 6.66 2.07 -1.61 -3.33 114.93 119.06 1rgq h MET 182 Ca 0.00 -0.59 0.00 0.00 -2.07 0.00 0.00 59.70 57.04 1rgq h MET 182 Cb 0.04 0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1rgq h MET 182 CO 0.00 1.26 0.00 0.54 1.07 0.00 0.00 176.91 179.78 1rgq n ARG 183 N -3.54 0.08 0.00 1.72 1.74 -0.61 -5.14 116.66 110.91 1rgq n ARG 183 Ca -0.25 0.40 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 1rgq n ARG 183 Cb 1.07 -1.68 0.72 0.00 -1.02 0.00 0.00 32.46 31.55 1rgq n ARG 183 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56