#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggr s ILE 20 N 0.00 4.41 -0.24 1.09 1.09 0.13 -4.90 121.20 122.78 1ggr s ILE 20 Ca 0.00 -0.18 -0.10 0.00 -1.10 0.00 0.00 60.65 59.27 1ggr s ILE 20 Cb 0.00 -2.96 -0.05 0.00 -1.06 0.00 0.00 42.46 38.40 1ggr s ILE 20 CO 0.00 0.49 0.15 -1.61 -0.10 0.00 0.00 174.94 173.87 1ggr s GLU 21 N 0.26 4.04 -0.23 2.79 2.02 -1.26 0.27 118.70 126.60 1ggr s GLU 21 Ca 0.01 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.56 1ggr s GLU 21 Cb -0.13 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1ggr s GLU 21 CO 0.01 0.05 0.39 0.42 0.02 0.00 0.00 175.26 176.16 1ggr s ILE 22 N 1.07 5.19 0.15 -1.63 -1.09 0.22 -4.93 121.20 120.18 1ggr s ILE 22 Ca 0.07 0.66 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 1ggr s ILE 22 Cb -0.14 -3.72 -0.07 0.00 -1.58 0.00 0.00 42.46 36.96 1ggr s ILE 22 CO 0.05 0.22 0.49 -0.63 -1.23 0.00 0.00 174.94 173.83 1ggr s ILE 23 N 1.58 4.98 0.03 2.92 -1.09 -0.80 0.40 121.20 129.21 1ggr s ILE 23 Ca 0.18 0.55 -0.31 0.00 -2.23 0.00 0.00 60.65 58.83 1ggr s ILE 23 Cb -0.15 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 1ggr s ILE 23 CO 0.08 0.16 1.93 0.00 -1.23 0.00 0.00 174.94 175.88 1ggr n ALA 24 N 0.52 1.52 0.24 9.38 0.00 0.54 -4.43 120.51 128.28 1ggr n ALA 24 Ca -0.04 0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1ggr n ALA 24 Cb 0.52 -2.62 0.38 0.00 0.00 0.00 0.00 19.45 17.72 1ggr n ALA 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ggr h PRO 25 N 9.87 0.00 -3.81 0.00 0.13 -1.89 0.11 132.00 136.42 1ggr h PRO 25 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1ggr h PRO 25 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1ggr h PRO 25 CO 0.94 0.00 -0.34 -0.48 -0.23 0.00 0.00 178.00 177.89 1ggr s LEU 26 N -6.20 1.27 0.35 1.56 0.05 -1.26 -0.63 118.68 113.81 1ggr s LEU 26 Ca 0.05 -0.68 -0.20 0.00 0.05 0.00 0.00 54.13 53.34 1ggr s LEU 26 Cb 0.07 1.11 -0.10 0.00 -2.05 0.00 0.00 46.19 45.22 1ggr s LEU 26 CO 0.62 -0.77 0.85 -0.44 -0.55 0.00 0.00 176.35 176.06 1ggr s SER 27 N -2.88 6.98 0.00 1.48 0.01 -1.26 -4.10 113.70 113.93 1ggr s SER 27 Ca 0.08 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1ggr s SER 27 Cb 0.04 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1ggr s SER 27 CO -0.09 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1ggr n GLY 28 N -0.13 -0.27 3.34 3.44 0.00 -1.00 -1.38 105.19 109.18 1ggr n GLY 28 Ca 0.04 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1ggr n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ggr s GLU 29 N -2.00 2.78 0.31 1.61 0.41 -0.82 -0.38 118.70 120.61 1ggr s GLU 29 Ca 0.00 -0.80 -0.28 0.00 -0.41 0.00 0.00 54.97 53.48 1ggr s GLU 29 Cb 0.00 -2.34 -0.09 0.00 -1.78 0.00 0.00 34.13 29.92 1ggr s GLU 29 CO 0.00 0.39 1.09 0.42 -0.49 0.00 0.00 175.26 176.67 1ggr s ILE 30 N -0.14 3.52 0.10 -1.63 1.01 0.19 -1.50 121.20 122.75 1ggr s ILE 30 Ca -0.03 1.44 0.04 0.00 0.00 0.00 0.00 60.65 62.10 1ggr s ILE 30 Cb -0.14 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1ggr s ILE 30 CO 0.04 0.27 -0.10 -0.69 0.00 0.00 0.00 174.94 174.46 1ggr s VAL 31 N -1.28 0.99 0.27 2.92 1.01 0.19 -4.67 120.40 119.82 1ggr s VAL 31 Ca 0.48 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1ggr s VAL 31 Cb -0.30 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1ggr s VAL 31 CO 0.38 -0.58 1.20 0.20 0.00 0.00 0.00 175.10 176.31 1ggr s ASN 32 N -2.54 7.05 0.50 3.32 0.02 -1.26 -2.04 114.94 119.99 1ggr s ASN 32 Ca 0.07 2.39 0.28 0.00 -1.02 0.00 0.00 52.86 54.58 1ggr s ASN 32 Cb -0.02 -2.63 1.28 0.00 0.02 0.00 0.00 41.25 39.90 1ggr s ASN 32 CO 0.00 -0.34 1.98 -0.29 0.02 0.00 0.00 177.10 178.47 1ggr h ILE 33 N 3.29 0.47 0.00 0.60 2.10 -1.89 -0.23 117.51 121.85 1ggr h ILE 33 Ca -0.47 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 64.74 1ggr h ILE 33 Cb 1.22 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.46 1ggr h ILE 33 CO 0.69 0.14 0.00 -1.84 -1.08 0.00 0.00 178.15 176.06 1ggr n GLU 34 N -3.45 0.19 -0.37 2.19 0.00 -1.26 -2.61 120.64 115.32 1ggr n GLU 34 Ca -0.01 0.32 0.08 0.00 0.00 0.00 0.00 57.16 57.55 1ggr n GLU 34 Cb 0.31 -1.80 0.26 0.00 0.00 0.00 0.00 31.44 30.21 1ggr n GLU 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ggr n ASP 35 N -2.15 3.35 -4.72 -1.84 8.00 -0.10 -4.88 116.55 114.21 1ggr n ASP 35 Ca 0.04 -2.16 -0.40 0.00 0.71 0.00 0.00 54.79 52.98 1ggr n ASP 35 Cb 0.30 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 1ggr n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ggr s VAL 36 N -1.50 4.99 0.00 2.53 1.01 -1.07 -4.92 120.40 121.43 1ggr s VAL 36 Ca 0.38 1.46 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 1ggr s VAL 36 Cb 0.22 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 1ggr s VAL 36 CO 0.22 0.28 1.92 -0.81 0.00 0.00 0.00 175.10 176.71 1ggr n PRO 37 N 3.58 0.94 -3.54 2.72 -0.04 -1.26 -4.54 135.00 132.86 1ggr n PRO 37 Ca -0.02 -0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 62.92 1ggr n PRO 37 Cb 0.51 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1ggr n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ggr s ASP 38 N 2.38 0.10 0.30 3.54 -1.08 -1.26 -5.03 116.67 115.63 1ggr s ASP 38 Ca 0.28 0.59 -0.02 0.00 -0.52 0.00 0.00 52.55 52.89 1ggr s ASP 38 Cb 0.13 1.12 0.46 0.00 -1.46 0.00 0.00 42.92 43.17 1ggr s ASP 38 CO 0.00 -0.26 1.96 -0.37 0.52 0.00 0.00 175.17 177.02 1ggr h VAL 39 N 6.20 1.21 -0.42 1.11 -1.51 -1.97 0.21 116.25 121.09 1ggr h VAL 39 Ca -0.17 -0.41 -0.03 0.00 -1.23 0.00 0.00 66.70 64.86 1ggr h VAL 39 Cb 1.13 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1ggr h VAL 39 CO 0.19 0.21 0.14 -0.37 -1.23 0.00 0.00 177.57 176.50 1ggr h VAL 40 N 1.07 1.17 0.12 7.19 -1.51 -1.95 0.26 116.25 122.59 1ggr h VAL 40 Ca 0.28 -0.57 -0.24 0.00 -1.23 0.00 0.00 66.70 64.94 1ggr h VAL 40 Cb -0.09 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 1ggr h VAL 40 CO -0.06 0.22 -1.20 -0.26 -1.23 0.00 0.00 177.57 175.04 1ggr h PHE 41 N 0.60 0.45 -0.61 5.19 0.04 -1.78 -1.76 116.94 119.07 1ggr h PHE 41 Ca 0.14 -0.33 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 1ggr h PHE 41 Cb 0.17 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1ggr h PHE 41 CO 0.01 1.47 0.37 0.00 -0.60 0.00 0.00 178.31 179.56 1ggr h ALA 42 N -0.02 1.51 -0.33 2.45 0.00 -0.44 0.12 119.26 122.55 1ggr h ALA 42 Ca -0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ggr h ALA 42 Cb 1.70 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ggr h ALA 42 CO 0.08 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1ggr n GLU 43 N -4.42 1.91 -3.93 0.00 1.02 0.90 -4.53 120.64 111.59 1ggr n GLU 43 Ca 0.06 -1.39 -0.31 0.00 -0.02 0.00 0.00 57.16 55.50 1ggr n GLU 43 Cb 0.07 -1.35 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1ggr n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ggr n LYS 44 N 0.62 -5.18 0.17 3.49 5.02 0.43 -4.84 118.16 117.88 1ggr n LYS 44 Ca 0.15 0.57 0.02 0.00 -2.02 0.00 0.00 58.31 57.03 1ggr n LYS 44 Cb 0.36 -5.44 0.35 0.00 -0.02 0.00 0.00 35.03 30.28 1ggr n LYS 44 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ggr h ILE 45 N -1.97 1.26 -0.00 -0.18 1.08 -1.55 -2.64 117.51 113.51 1ggr h ILE 45 Ca -0.58 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 1ggr h ILE 45 Cb 1.37 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1ggr h ILE 45 CO 0.68 0.36 -0.37 0.52 -0.69 0.00 0.00 178.15 178.65 1ggr n VAL 46 N -4.11 0.00 0.00 1.67 0.31 -1.25 -5.04 118.33 109.90 1ggr n VAL 46 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ggr n VAL 46 Cb 0.40 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1ggr n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggr n GLY 47 N 1.42 0.88 3.45 2.92 0.00 -0.99 -4.48 105.19 108.38 1ggr n GLY 47 Ca 0.09 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1ggr n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggr s ASP 48 N -1.77 3.54 0.00 1.61 2.15 -0.87 -4.46 116.67 116.86 1ggr s ASP 48 Ca 0.00 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1ggr s ASP 48 Cb 0.00 -0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.32 1ggr s ASP 48 CO 0.00 0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 1ggr n GLY 49 N 0.06 -0.79 3.36 2.66 0.00 -1.26 0.19 105.19 109.41 1ggr n GLY 49 Ca -0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1ggr n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ggr s ILE 50 N -3.11 0.37 0.24 -0.61 -5.25 -0.27 -4.44 121.20 108.14 1ggr s ILE 50 Ca 0.00 -2.00 0.11 0.00 -0.99 0.00 0.00 60.65 57.77 1ggr s ILE 50 Cb 0.00 -2.49 -0.05 0.00 2.95 0.00 0.00 42.46 42.87 1ggr s ILE 50 CO 0.00 0.00 -0.20 0.00 -1.79 0.00 0.00 174.94 172.95 1ggr s ALA 51 N -3.52 2.52 -0.05 2.27 0.00 -0.87 0.13 121.76 122.23 1ggr s ALA 51 Ca 0.34 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1ggr s ALA 51 Cb 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ggr s ALA 51 CO 0.18 0.27 -0.06 0.42 0.00 0.00 0.00 175.76 176.57 1ggr s ILE 52 N -2.39 0.64 -0.48 0.00 1.01 -0.44 -0.64 121.20 118.89 1ggr s ILE 52 Ca 0.26 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 1ggr s ILE 52 Cb -0.05 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1ggr s ILE 52 CO 0.12 0.25 0.90 -0.75 0.00 0.00 0.00 174.94 175.46 1ggr s LYS 53 N 0.96 3.45 0.53 2.79 2.36 -0.56 -2.11 119.74 127.15 1ggr s LYS 53 Ca -0.10 -0.01 -0.20 0.00 -2.55 0.00 0.00 55.97 53.11 1ggr s LYS 53 Cb -0.14 -3.97 -0.06 0.00 -1.05 0.00 0.00 37.83 32.61 1ggr s LYS 53 CO 0.00 -1.28 1.10 -1.25 1.55 0.00 0.00 175.35 175.48 1ggr s PRO 54 N 3.72 3.47 0.00 4.03 0.05 -1.26 -1.94 135.00 143.07 1ggr s PRO 54 Ca 0.34 1.54 0.00 0.00 0.05 0.00 0.00 61.00 62.92 1ggr s PRO 54 Cb -0.11 -2.03 0.00 0.00 0.05 0.00 0.00 34.50 32.41 1ggr s PRO 54 CO 0.24 -0.74 0.11 0.25 0.05 0.00 0.00 177.00 176.91 1ggr n THR 55 N -1.23 0.01 -0.65 1.26 -2.24 -0.48 -4.90 114.28 106.06 1ggr n THR 55 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1ggr n THR 55 Cb 0.51 1.78 0.00 0.00 -2.10 0.00 0.00 70.33 70.52 1ggr n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggr n GLY 56 N -0.01 3.33 0.22 3.38 0.00 -1.26 -4.99 105.19 105.88 1ggr n GLY 56 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1ggr n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ggr n ASN 57 N 0.00 0.00 -3.55 1.61 0.23 -1.26 -4.56 115.26 107.73 1ggr n ASN 57 Ca 0.00 -1.38 -0.14 0.00 -0.53 0.00 0.00 54.58 52.53 1ggr n ASN 57 Cb 0.00 -0.08 -0.05 0.00 -2.08 0.00 0.00 39.78 37.58 1ggr n ASN 57 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ggr s LYS 58 N 0.00 1.08 -0.19 -3.83 -2.85 -1.26 -2.19 119.74 110.49 1ggr s LYS 58 Ca 0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 55.97 54.73 1ggr s LYS 58 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1ggr s LYS 58 CO 0.00 -0.40 -0.11 1.41 0.10 0.00 0.00 175.35 176.35 1ggr s MET 59 N -2.54 3.25 0.48 1.78 1.75 0.50 -4.49 119.30 120.02 1ggr s MET 59 Ca -0.05 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 53.74 1ggr s MET 59 Cb -0.01 -2.81 -0.02 0.00 2.84 0.00 0.00 34.83 34.84 1ggr s MET 59 CO -0.02 -0.14 0.21 0.14 -0.65 0.00 0.00 175.02 174.55 1ggr s VAL 60 N 1.26 1.84 0.06 10.11 -7.23 0.19 -0.59 120.40 126.04 1ggr s VAL 60 Ca 0.03 -1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 1ggr s VAL 60 Cb -0.14 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1ggr s VAL 60 CO -0.05 0.00 1.48 0.00 -0.31 0.00 0.00 175.10 176.22 1ggr s ALA 61 N -2.72 3.63 -2.10 1.32 0.00 0.19 -4.57 121.76 117.52 1ggr s ALA 61 Ca 0.31 1.07 0.29 0.00 0.00 0.00 0.00 51.96 53.63 1ggr s ALA 61 Cb 0.02 -3.61 1.32 0.00 0.00 0.00 0.00 23.12 20.84 1ggr s ALA 61 CO 0.18 -0.89 1.90 -0.35 0.00 0.00 0.00 175.76 176.60 1ggr n PRO 62 N 4.99 1.18 -3.68 0.00 -0.04 -1.26 -1.64 135.00 134.55 1ggr n PRO 62 Ca 0.14 -0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 63.02 1ggr n PRO 62 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1ggr n PRO 62 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggr s VAL 63 N -2.15 0.01 -0.08 0.52 -7.23 -1.26 -1.91 120.40 108.30 1ggr s VAL 63 Ca 0.38 -0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 59.66 1ggr s VAL 63 Cb 0.21 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1ggr s VAL 63 CO 0.39 -0.04 0.94 -1.81 -0.31 0.00 0.00 175.10 174.27 1ggr s ASP 64 N -2.85 7.21 0.00 4.85 1.01 -1.26 -3.79 116.67 121.84 1ggr s ASP 64 Ca 0.07 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.81 1ggr s ASP 64 Cb -0.03 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1ggr s ASP 64 CO -0.03 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1ggr n GLY 65 N 3.09 -0.58 3.18 0.21 0.00 -0.50 -0.38 105.19 110.21 1ggr n GLY 65 Ca 0.06 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1ggr n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ggr s THR 66 N -3.22 1.67 0.33 2.61 2.01 -0.06 -0.54 115.64 118.44 1ggr s THR 66 Ca 0.00 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1ggr s THR 66 Cb 0.00 -1.43 -0.10 0.00 0.01 0.00 0.00 72.50 70.98 1ggr s THR 66 CO 0.00 0.47 1.25 -0.63 -0.69 0.00 0.00 174.62 175.02 1ggr s ILE 67 N -0.00 2.91 -0.09 1.82 -1.09 0.12 -2.07 121.20 122.80 1ggr s ILE 67 Ca -0.05 0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 59.18 1ggr s ILE 67 Cb -0.13 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1ggr s ILE 67 CO 0.03 0.20 -0.18 0.61 -1.23 0.00 0.00 174.94 174.37 1ggr n GLY 68 N 0.87 -0.47 2.89 6.18 0.00 0.22 -1.24 105.19 113.64 1ggr n GLY 68 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1ggr n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggr s LYS 69 N -2.06 0.04 -0.16 1.61 2.20 -1.21 -4.36 119.74 115.80 1ggr s LYS 69 Ca -0.15 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1ggr s LYS 69 Cb 0.02 -0.06 -0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1ggr s LYS 69 CO 0.23 -0.06 -0.15 0.42 -0.36 0.00 0.00 175.35 175.42 1ggr s ILE 70 N 0.41 2.68 0.50 5.43 1.01 -1.26 -0.72 121.20 129.26 1ggr s ILE 70 Ca -0.03 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1ggr s ILE 70 Cb -0.05 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.23 1ggr s ILE 70 CO -0.01 0.51 1.33 -0.36 0.00 0.00 0.00 174.94 176.41 1ggr s PHE 71 N 0.81 2.46 -0.23 3.97 0.40 -0.62 -4.85 117.98 119.92 1ggr s PHE 71 Ca -0.05 1.39 0.22 0.00 -0.60 0.00 0.00 56.93 57.89 1ggr s PHE 71 Cb -0.15 -3.73 1.16 0.00 0.51 0.00 0.00 43.02 40.81 1ggr s PHE 71 CO -0.00 -2.59 1.69 0.39 0.70 0.00 0.00 175.22 175.41 1ggr n GLU 72 N -0.69 0.15 -0.17 0.44 1.02 -1.26 0.08 120.64 120.21 1ggr n GLU 72 Ca 0.08 0.60 0.12 0.00 -0.02 0.00 0.00 57.16 57.94 1ggr n GLU 72 Cb 0.45 -1.96 0.25 0.00 -0.02 0.00 0.00 31.44 30.16 1ggr n GLU 72 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ggr n THR 73 N -2.28 0.44 -3.96 2.62 -2.24 -1.26 -4.87 114.28 102.73 1ggr n THR 73 Ca -0.01 -0.66 -0.29 0.00 -2.27 0.00 0.00 64.05 60.82 1ggr n THR 73 Cb 0.07 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1ggr n THR 73 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ggr n ASN 74 N 1.25 -2.68 0.00 3.42 5.03 0.11 -3.78 115.26 118.61 1ggr n ASN 74 Ca 0.19 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1ggr n ASN 74 Cb 0.55 -3.43 0.00 0.00 -1.02 0.00 0.00 39.78 35.88 1ggr n ASN 74 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ggr n HIS 75 N -4.47 0.00 -3.66 3.10 1.44 -1.26 -4.55 115.22 105.81 1ggr n HIS 75 Ca -0.10 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.47 1ggr n HIS 75 Cb 0.58 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.63 1ggr n HIS 75 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ggr s ALA 76 N -0.10 -1.08 0.20 1.59 0.00 -1.26 -2.40 121.76 118.72 1ggr s ALA 76 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1ggr s ALA 76 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1ggr s ALA 76 CO 0.00 -0.39 0.45 -0.59 0.00 0.00 0.00 175.76 175.23 1ggr s PHE 77 N -1.98 0.15 -0.03 0.00 -0.12 -1.04 -1.60 117.98 113.36 1ggr s PHE 77 Ca -0.08 -0.50 0.07 0.00 -0.05 0.00 0.00 56.93 56.36 1ggr s PHE 77 Cb -0.02 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1ggr s PHE 77 CO 0.01 -0.89 -0.23 -1.12 -0.05 0.00 0.00 175.22 172.95 1ggr s SER 78 N -2.94 3.34 0.01 1.98 0.01 0.11 -1.99 113.70 114.21 1ggr s SER 78 Ca 0.15 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1ggr s SER 78 Cb 0.00 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 1ggr s SER 78 CO 0.01 0.32 0.09 -0.51 0.41 0.00 0.00 173.24 173.56 1ggr s ILE 79 N -0.62 0.09 -0.11 1.44 2.07 -1.06 0.73 121.20 123.75 1ggr s ILE 79 Ca 0.10 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.60 1ggr s ILE 79 Cb -0.10 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.10 1ggr s ILE 79 CO -0.00 -0.42 -0.21 -0.70 -1.91 0.00 0.00 174.94 171.70 1ggr s GLU 80 N -1.42 3.14 0.74 3.50 2.12 -0.88 -1.34 118.70 124.55 1ggr s GLU 80 Ca -0.15 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.24 1ggr s GLU 80 Cb -0.08 -2.39 0.05 0.00 0.26 0.00 0.00 34.13 31.96 1ggr s GLU 80 CO 0.01 0.19 1.11 -1.54 -0.54 0.00 0.00 175.26 174.48 1ggr s SER 81 N 0.35 5.00 0.34 -1.70 1.04 0.22 -0.88 113.70 118.07 1ggr s SER 81 Ca -0.17 0.90 0.10 0.00 0.48 0.00 0.00 55.95 57.26 1ggr s SER 81 Cb -0.17 -1.56 0.60 0.00 0.10 0.00 0.00 66.02 64.98 1ggr s SER 81 CO 0.08 -1.58 1.77 0.44 0.98 0.00 0.00 173.24 174.93 1ggr h ASP 82 N -0.79 0.11 0.00 7.02 3.32 -1.05 -2.30 116.42 122.72 1ggr h ASP 82 Ca -0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1ggr h ASP 82 Cb 1.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1ggr h ASP 82 CO 0.64 0.49 0.00 -1.54 -1.72 0.00 0.00 179.24 177.11 1ggr n SER 83 N -4.06 0.00 -0.05 6.45 3.41 -1.26 -4.84 113.62 113.27 1ggr n SER 83 Ca -0.02 -0.74 -0.01 0.00 -0.26 0.00 0.00 58.87 57.85 1ggr n SER 83 Cb 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1ggr n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ggr n GLY 84 N 0.02 0.47 3.75 5.00 0.00 -0.87 -5.05 105.19 108.52 1ggr n GLY 84 Ca 0.07 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1ggr n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggr s VAL 85 N -1.99 5.13 -0.25 1.61 1.01 -1.26 -4.81 120.40 119.84 1ggr s VAL 85 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 1ggr s VAL 85 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1ggr s VAL 85 CO 0.00 0.41 0.31 -1.61 0.00 0.00 0.00 175.10 174.21 1ggr s GLU 86 N 0.10 4.05 0.25 2.72 2.02 -1.26 -0.61 118.70 125.96 1ggr s GLU 86 Ca 0.25 -0.04 0.11 0.00 0.02 0.00 0.00 54.97 55.30 1ggr s GLU 86 Cb -0.16 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1ggr s GLU 86 CO 0.11 -0.15 -0.11 -0.51 0.02 0.00 0.00 175.26 174.62 1ggr s LEU 87 N 1.69 2.88 -0.09 1.80 2.01 -0.45 -1.04 118.68 125.48 1ggr s LEU 87 Ca 0.13 -0.80 -0.09 0.00 0.01 0.00 0.00 54.13 53.38 1ggr s LEU 87 Cb -0.15 -1.44 0.02 0.00 0.01 0.00 0.00 46.19 44.64 1ggr s LEU 87 CO 0.09 0.04 0.26 0.12 1.01 0.00 0.00 176.35 177.87 1ggr s PHE 88 N -2.27 -0.28 -0.04 0.29 5.36 -0.05 -2.56 117.98 118.44 1ggr s PHE 88 Ca 0.29 0.67 0.02 0.00 -0.96 0.00 0.00 56.93 56.95 1ggr s PHE 88 Cb -0.06 0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 1ggr s PHE 88 CO 0.17 -0.15 -0.09 0.08 -1.46 0.00 0.00 175.22 173.77 1ggr s VAL 89 N 0.04 0.81 -0.69 3.12 1.01 -0.84 -1.25 120.40 122.60 1ggr s VAL 89 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1ggr s VAL 89 Cb -0.02 -0.76 0.17 0.00 0.00 0.00 0.00 36.38 35.77 1ggr s VAL 89 CO 0.01 0.27 0.48 -2.28 0.00 0.00 0.00 175.10 173.58 1ggr s HIS 90 N 0.58 3.52 -0.42 5.22 2.46 -1.13 -2.51 115.29 123.00 1ggr s HIS 90 Ca -0.10 -3.32 -0.45 0.00 0.47 0.00 0.00 55.06 51.67 1ggr s HIS 90 Cb -0.13 -2.69 -0.18 0.00 -0.13 0.00 0.00 32.58 29.45 1ggr s HIS 90 CO 0.01 -0.56 1.66 0.34 -2.47 0.00 0.00 174.74 173.72 1ggr n PHE 91 N 2.04 1.86 -2.46 3.88 -0.00 -1.01 -4.07 117.46 117.71 1ggr n PHE 91 Ca 0.19 0.93 0.06 0.00 -0.00 0.00 0.00 57.45 58.63 1ggr n PHE 91 Cb 0.35 -2.31 -0.01 0.00 -0.00 0.00 0.00 39.48 37.50 1ggr n PHE 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ggr n GLY 92 N 4.11 -1.81 3.29 7.13 0.00 0.10 -4.53 105.19 113.47 1ggr n GLY 92 Ca 0.30 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1ggr n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggr s ILE 93 N -0.92 2.33 -1.45 -0.61 -1.09 0.39 -4.59 121.20 115.26 1ggr s ILE 93 Ca 0.00 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1ggr s ILE 93 Cb 0.00 -1.89 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 1ggr s ILE 93 CO 0.00 0.56 0.00 0.47 -1.23 0.00 0.00 174.94 174.74 1ggr n ASP 94 N 3.23 -4.39 0.31 3.58 8.00 -1.26 -4.05 116.55 121.97 1ggr n ASP 94 Ca -0.18 0.23 0.20 0.00 0.71 0.00 0.00 54.79 55.75 1ggr n ASP 94 Cb 0.53 -3.82 0.99 0.00 -0.02 0.00 0.00 41.12 38.79 1ggr n ASP 94 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1ggr h THR 95 N 0.00 0.01 -0.50 -3.53 1.35 -1.81 -2.71 112.91 105.71 1ggr h THR 95 Ca -0.35 -0.23 0.08 0.00 -0.55 0.00 0.00 66.41 65.37 1ggr h THR 95 Cb 1.16 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 1ggr h THR 95 CO 0.44 0.00 0.34 1.62 -0.25 0.00 0.00 175.52 177.68 1ggr h VAL 96 N 0.00 0.91 0.00 6.82 3.04 -1.91 -0.74 116.25 124.37 1ggr h VAL 96 Ca -0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1ggr h VAL 96 Cb 0.23 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1ggr h VAL 96 CO 0.00 0.06 0.07 -0.33 -1.01 0.00 0.00 177.57 176.36 1ggr h GLU 97 N 0.33 0.00 0.00 4.17 4.39 -1.87 -1.23 114.58 120.36 1ggr h GLU 97 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ggr h GLU 97 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1ggr h GLU 97 CO -0.05 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.08 1ggr n LEU 98 N -3.04 0.00 -3.99 1.33 4.32 -0.28 -4.93 117.00 110.42 1ggr n LEU 98 Ca -0.03 0.18 -0.28 0.00 -0.02 0.00 0.00 56.01 55.86 1ggr n LEU 98 Cb 0.13 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 41.74 1ggr n LEU 98 CO 0.19 -0.02 -0.12 0.29 -1.22 0.00 0.00 177.39 176.51 1ggr n LYS 99 N -1.18 -3.76 0.00 3.23 5.02 -0.47 -2.37 118.16 118.63 1ggr n LYS 99 Ca 0.16 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1ggr n LYS 99 Cb 0.18 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1ggr n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ggr n GLY 100 N -1.76 2.00 3.67 0.72 0.00 -1.25 -4.97 105.19 103.60 1ggr n GLY 100 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ggr n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggr s GLU 101 N -0.53 4.15 0.00 1.61 2.12 -1.00 -2.47 118.70 122.59 1ggr s GLU 101 Ca 0.00 2.49 0.00 0.00 0.36 0.00 0.00 54.97 57.82 1ggr s GLU 101 Cb 0.00 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.37 1ggr s GLU 101 CO 0.00 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1ggr n GLY 102 N 4.37 0.24 3.53 -1.50 0.00 -1.26 -4.94 105.19 105.64 1ggr n GLY 102 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1ggr n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggr s PHE 103 N -2.07 2.61 -0.14 1.61 0.08 -1.03 -0.22 117.98 118.81 1ggr s PHE 103 Ca 0.00 -0.23 -0.04 0.00 0.12 0.00 0.00 56.93 56.78 1ggr s PHE 103 Cb 0.00 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.17 1ggr s PHE 103 CO 0.00 0.44 0.11 0.15 -0.10 0.00 0.00 175.22 175.83 1ggr s LYS 104 N -2.40 0.05 0.00 0.44 3.01 0.02 -4.97 119.74 115.89 1ggr s LYS 104 Ca 0.21 0.12 -0.30 0.00 -1.01 0.00 0.00 55.97 54.99 1ggr s LYS 104 Cb -0.10 -1.31 -0.06 0.00 -1.01 0.00 0.00 37.83 35.34 1ggr s LYS 104 CO 0.13 -0.57 1.58 0.50 0.51 0.00 0.00 175.35 177.50 1ggr s ARG 105 N 2.19 4.22 -0.16 1.68 3.52 -1.26 -1.68 118.95 127.46 1ggr s ARG 105 Ca 0.04 2.17 0.07 0.00 -0.13 0.00 0.00 55.73 57.88 1ggr s ARG 105 Cb -0.15 -3.73 -0.15 0.00 -1.56 0.00 0.00 34.95 29.37 1ggr s ARG 105 CO -0.08 -0.73 -0.04 -0.89 -0.81 0.00 0.00 175.30 172.75 1ggr n ILE 106 N 4.98 0.99 -2.80 4.11 2.08 0.15 -4.95 119.36 123.91 1ggr n ILE 106 Ca 0.16 -0.50 -0.21 0.00 0.56 0.00 0.00 62.75 62.75 1ggr n ILE 106 Cb 0.42 -0.86 0.08 0.00 -0.75 0.00 0.00 39.64 38.54 1ggr n ILE 106 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ggr s ALA 107 N -2.35 4.19 0.13 -1.39 0.00 -0.58 -4.98 121.76 116.78 1ggr s ALA 107 Ca -0.15 -1.91 0.10 0.00 0.00 0.00 0.00 51.96 50.01 1ggr s ALA 107 Cb 0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1ggr s ALA 107 CO 0.50 -1.14 -0.22 -1.21 0.00 0.00 0.00 175.76 173.69 1ggr s GLU 108 N -4.89 1.59 0.33 0.00 2.02 -1.26 -5.04 118.70 111.45 1ggr s GLU 108 Ca 0.64 -1.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1ggr s GLU 108 Cb -0.06 -1.99 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 1ggr s GLU 108 CO 0.41 0.46 1.56 -1.21 0.02 0.00 0.00 175.26 176.50 1ggr s GLU 109 N -2.18 4.10 0.00 1.61 2.02 -1.26 -1.30 118.70 121.69 1ggr s GLU 109 Ca 0.17 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.75 1ggr s GLU 109 Cb -0.10 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1ggr s GLU 109 CO 0.08 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1ggr n GLY 110 N 1.41 1.23 3.76 -1.39 0.00 -0.37 -5.01 105.19 104.82 1ggr n GLY 110 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ggr n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ggr s GLN 111 N -0.48 4.30 0.01 1.61 0.74 -0.42 -4.57 119.66 120.85 1ggr s GLN 111 Ca 0.00 2.27 -0.25 0.00 0.05 0.00 0.00 55.36 57.44 1ggr s GLN 111 Cb 0.00 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 1ggr s GLN 111 CO 0.00 -0.33 0.75 0.50 -0.55 0.00 0.00 175.29 175.66 1ggr s ARG 112 N -1.00 4.47 0.05 1.67 3.52 -1.26 0.13 118.95 126.53 1ggr s ARG 112 Ca 0.55 1.01 -0.02 0.00 -0.13 0.00 0.00 55.73 57.15 1ggr s ARG 112 Cb -0.41 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1ggr s ARG 112 CO 0.48 0.21 -0.01 0.14 -0.81 0.00 0.00 175.30 175.31 1ggr s VAL 113 N 0.23 0.21 0.20 7.11 -7.23 0.30 -4.95 120.40 116.27 1ggr s VAL 113 Ca 0.39 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.90 1ggr s VAL 113 Cb -0.20 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1ggr s VAL 113 CO 0.22 -0.95 0.03 -0.54 -0.31 0.00 0.00 175.10 173.54 1ggr s LYS 114 N -3.85 2.47 0.16 4.82 1.02 -1.26 -1.41 119.74 121.69 1ggr s LYS 114 Ca 0.06 -1.14 -0.33 0.00 0.02 0.00 0.00 55.97 54.59 1ggr s LYS 114 Cb 0.07 -2.36 -0.17 0.00 -0.52 0.00 0.00 37.83 34.86 1ggr s LYS 114 CO -0.10 0.44 0.99 0.28 -0.92 0.00 0.00 175.35 176.04 1ggr n VAL 115 N -0.37 1.09 0.00 3.17 0.31 -1.25 -1.35 118.33 119.93 1ggr n VAL 115 Ca -0.09 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1ggr n VAL 115 Cb 0.56 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1ggr n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggr n GLY 116 N 1.85 2.10 3.75 2.92 0.00 -0.65 -4.93 105.19 110.23 1ggr n GLY 116 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ggr n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggr s ASP 117 N -2.39 6.52 0.09 1.61 1.01 -0.45 -4.56 116.67 118.48 1ggr s ASP 117 Ca 0.00 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 55.79 1ggr s ASP 117 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1ggr s ASP 117 CO 0.00 -0.79 1.09 -0.89 0.21 0.00 0.00 175.17 174.79 1ggr s THR 118 N -0.27 4.24 -0.19 -1.27 2.01 -1.26 -0.63 115.64 118.26 1ggr s THR 118 Ca 0.59 1.72 -0.07 0.00 0.31 0.00 0.00 61.69 64.23 1ggr s THR 118 Cb -0.44 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 67.88 1ggr s THR 118 CO 0.49 0.20 -0.23 0.52 -0.69 0.00 0.00 174.62 174.90 1ggr n VAL 119 N 3.34 1.06 -3.77 3.82 0.31 0.25 -4.10 118.33 119.24 1ggr n VAL 119 Ca 0.06 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 1ggr n VAL 119 Cb 0.48 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 31.68 1ggr n VAL 119 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ggr s ILE 120 N -2.36 0.02 0.05 2.52 1.01 -0.96 0.33 121.20 121.82 1ggr s ILE 120 Ca -0.27 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1ggr s ILE 120 Cb 0.10 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1ggr s ILE 120 CO 0.36 -0.10 -0.10 -1.61 0.00 0.00 0.00 174.94 173.49 1ggr s GLU 121 N -0.36 2.30 0.16 2.79 2.02 -0.68 -0.37 118.70 124.56 1ggr s GLU 121 Ca -0.05 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.08 1ggr s GLU 121 Cb -0.03 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 1ggr s GLU 121 CO 0.02 0.55 -0.05 -0.59 0.02 0.00 0.00 175.26 175.21 1ggr s PHE 122 N -1.07 1.26 -0.56 1.61 -0.12 -0.93 -0.80 117.98 117.37 1ggr s PHE 122 Ca 0.18 -0.89 -0.16 0.00 -0.05 0.00 0.00 56.93 56.01 1ggr s PHE 122 Cb -0.11 -0.69 0.13 0.00 -0.63 0.00 0.00 43.02 41.72 1ggr s PHE 122 CO 0.10 -0.06 0.55 0.34 -0.05 0.00 0.00 175.22 176.10 1ggr s ASP 123 N -3.18 6.21 0.07 1.98 -1.08 0.69 -4.68 116.67 116.68 1ggr s ASP 123 Ca 0.20 -1.76 -0.25 0.00 -0.52 0.00 0.00 52.55 50.22 1ggr s ASP 123 Cb 0.05 -2.23 -0.16 0.00 -1.46 0.00 0.00 42.92 39.11 1ggr s ASP 123 CO 0.02 -0.89 1.62 0.25 0.52 0.00 0.00 175.17 176.69 1ggr h LEU 124 N 9.04 -0.16 -0.53 -1.34 5.85 -1.89 -2.25 115.31 124.03 1ggr h LEU 124 Ca -0.28 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1ggr h LEU 124 Cb 1.10 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1ggr h LEU 124 CO 1.04 -0.03 0.32 -0.65 -0.34 0.00 0.00 178.44 178.78 1ggr h PRO 125 N -0.28 0.63 -0.27 5.25 0.11 -1.93 0.41 132.00 135.91 1ggr h PRO 125 Ca -0.02 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.08 1ggr h PRO 125 Cb 0.22 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1ggr h PRO 125 CO 0.03 0.41 0.09 1.25 -0.21 0.00 0.00 178.00 179.58 1ggr h LEU 126 N 0.64 0.10 -0.87 2.35 5.85 -1.98 -1.18 115.31 120.23 1ggr h LEU 126 Ca 0.21 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 1ggr h LEU 126 Cb 0.00 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1ggr h LEU 126 CO -0.08 0.09 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.57 1ggr h LEU 127 N 0.21 0.24 -0.90 2.25 3.38 -0.86 0.16 115.31 119.78 1ggr h LEU 127 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ggr h LEU 127 Cb 0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ggr h LEU 127 CO -0.12 0.68 0.08 -0.33 0.09 0.00 0.00 178.44 178.83 1ggr h GLU 128 N 0.18 0.89 -0.03 1.13 5.08 0.32 0.38 114.58 122.53 1ggr h GLU 128 Ca 0.01 -0.21 -0.22 0.00 -1.00 0.00 0.00 59.36 57.94 1ggr h GLU 128 Cb 0.90 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.05 1ggr h GLU 128 CO 0.07 0.83 -0.83 1.49 -1.00 0.00 0.00 179.01 179.58 1ggr h GLU 129 N 0.84 0.60 0.00 2.33 4.81 -0.76 -3.38 114.58 119.02 1ggr h GLU 129 Ca 0.17 -0.62 -0.26 0.00 -0.13 0.00 0.00 59.36 58.52 1ggr h GLU 129 Cb 0.39 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1ggr h GLU 129 CO 0.01 1.23 -1.98 1.63 -0.73 0.00 0.00 179.01 179.16 1ggr n LYS 130 N -4.02 0.66 -2.75 1.92 4.76 0.50 -4.97 118.16 114.27 1ggr n LYS 130 Ca -0.10 0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 55.04 1ggr n LYS 130 Cb 0.78 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 1ggr n LYS 130 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ggr s ALA 131 N -2.74 3.26 0.32 7.82 0.00 0.13 -4.92 121.76 125.63 1ggr s ALA 131 Ca -0.07 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.51 1ggr s ALA 131 Cb 0.08 -3.20 0.66 0.00 0.00 0.00 0.00 23.12 20.66 1ggr s ALA 131 CO 0.83 0.16 1.88 -0.22 0.00 0.00 0.00 175.76 178.41 1ggr h LYS 132 N 3.51 0.85 -1.81 0.00 1.63 -1.86 -3.43 116.57 115.45 1ggr h LYS 132 Ca -0.46 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1ggr h LYS 132 Cb 1.20 -0.19 -0.23 0.00 -0.60 0.00 0.00 32.23 32.41 1ggr h LYS 132 CO 0.66 0.56 0.30 0.45 -3.45 0.00 0.00 179.45 177.97 1ggr s SER 133 N -5.86 -0.59 0.00 4.20 0.15 -1.26 -4.98 113.70 105.37 1ggr s SER 133 Ca -0.11 0.99 0.26 0.00 0.70 0.00 0.00 55.95 57.79 1ggr s SER 133 Cb 0.21 0.95 0.56 0.00 -1.71 0.00 0.00 66.02 66.04 1ggr s SER 133 CO 0.80 -0.30 1.46 0.35 1.20 0.00 0.00 173.24 176.75 1ggr n THR 134 N 1.95 0.00 -1.67 6.45 -2.24 -1.26 -0.46 114.28 117.04 1ggr n THR 134 Ca -0.14 -0.33 -0.46 0.00 -2.27 0.00 0.00 64.05 60.86 1ggr n THR 134 Cb 0.56 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 1ggr n THR 134 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ggr n LEU 135 N 0.47 3.06 -4.03 3.22 4.77 -1.26 -3.54 117.00 119.70 1ggr n LEU 135 Ca 0.15 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.92 1ggr n LEU 135 Cb 0.46 -1.42 -0.15 0.00 -2.33 0.00 0.00 43.42 39.98 1ggr n LEU 135 CO 0.19 -0.39 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.62 1ggr s THR 136 N 0.52 2.29 0.34 -5.08 2.01 -0.90 -0.72 115.64 114.10 1ggr s THR 136 Ca 0.75 -2.21 -0.28 0.00 0.31 0.00 0.00 61.69 60.26 1ggr s THR 136 Cb -0.68 -2.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1ggr s THR 136 CO 0.43 -0.50 1.17 -2.84 -0.69 0.00 0.00 174.62 172.19 1ggr s PRO 137 N 0.94 4.34 -0.29 4.92 0.02 -1.26 -1.33 135.00 142.35 1ggr s PRO 137 Ca 0.07 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1ggr s PRO 137 Cb -0.19 -2.95 0.08 0.00 0.02 0.00 0.00 34.50 31.46 1ggr s PRO 137 CO -0.07 -0.09 0.01 0.14 -0.33 0.00 0.00 177.00 176.66 1ggr s VAL 138 N -1.27 1.68 0.21 3.83 -7.23 0.34 -2.84 120.40 115.12 1ggr s VAL 138 Ca 0.51 -1.65 0.09 0.00 -1.81 0.00 0.00 61.98 59.11 1ggr s VAL 138 Cb -0.33 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1ggr s VAL 138 CO 0.43 -0.38 -0.18 0.68 -0.31 0.00 0.00 175.10 175.34 1ggr s VAL 139 N 1.26 1.99 -0.21 1.32 -7.23 -0.38 -1.11 120.40 116.04 1ggr s VAL 139 Ca 0.03 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 57.90 1ggr s VAL 139 Cb -0.19 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1ggr s VAL 139 CO -0.11 -0.43 0.30 -0.63 -0.31 0.00 0.00 175.10 173.92 1ggr s ILE 140 N -2.49 5.27 -2.06 -0.62 1.09 0.13 -0.87 121.20 121.64 1ggr s ILE 140 Ca 0.22 0.49 0.23 0.00 -1.10 0.00 0.00 60.65 60.49 1ggr s ILE 140 Cb -0.04 -3.63 0.05 0.00 -1.06 0.00 0.00 42.46 37.78 1ggr s ILE 140 CO 0.09 0.30 1.18 -1.54 -0.10 0.00 0.00 174.94 174.86 1ggr n SER 141 N 4.33 1.94 -1.57 3.58 3.41 -0.20 -2.04 113.62 123.07 1ggr n SER 141 Ca -0.11 -1.46 0.08 0.00 -0.26 0.00 0.00 58.87 57.12 1ggr n SER 141 Cb 0.51 0.40 0.34 0.00 -0.26 0.00 0.00 64.21 65.20 1ggr n SER 141 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ggr n ASN 142 N -0.03 4.66 -0.25 4.04 4.05 -1.26 -4.84 115.26 121.65 1ggr n ASN 142 Ca 0.10 -2.52 0.15 0.00 0.45 0.00 0.00 54.58 52.77 1ggr n ASN 142 Cb 0.46 -0.59 0.29 0.00 1.23 0.00 0.00 39.78 41.17 1ggr n ASN 142 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1ggr n MET 143 N 0.93 -0.05 0.05 1.20 2.81 -1.26 0.12 117.12 120.92 1ggr n MET 143 Ca 0.24 1.06 0.06 0.00 -1.81 0.00 0.00 57.70 57.25 1ggr n MET 143 Cb 0.90 -1.76 0.28 0.00 -0.71 0.00 0.00 33.22 31.94 1ggr n MET 143 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ggr n ASP 144 N -4.88 0.21 -1.08 7.83 8.00 -1.26 -2.14 116.55 123.23 1ggr n ASP 144 Ca 0.21 0.58 0.08 0.00 0.71 0.00 0.00 54.79 56.36 1ggr n ASP 144 Cb 0.69 -0.61 0.26 0.00 -0.02 0.00 0.00 41.12 41.44 1ggr n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ggr n GLU 145 N -1.76 3.22 -5.14 -1.24 1.02 0.32 -4.97 120.64 112.09 1ggr n GLU 145 Ca 0.01 -2.60 -0.29 0.00 -0.02 0.00 0.00 57.16 54.26 1ggr n GLU 145 Cb 0.09 -1.67 -0.16 0.00 -0.02 0.00 0.00 31.44 29.69 1ggr n GLU 145 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ggr s ILE 146 N -1.83 1.85 -0.06 -3.67 -4.36 -0.91 -4.94 121.20 107.28 1ggr s ILE 146 Ca 0.39 -1.02 -0.19 0.00 -0.26 0.00 0.00 60.65 59.57 1ggr s ILE 146 Cb 0.26 -1.54 -0.14 0.00 1.25 0.00 0.00 42.46 42.29 1ggr s ILE 146 CO 0.17 0.51 0.77 0.50 0.24 0.00 0.00 174.94 177.13 1ggr h LYS 147 N 5.51 -0.21 -3.14 0.37 1.63 -1.61 -3.47 116.57 115.65 1ggr h LYS 147 Ca -0.41 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.26 1ggr h LYS 147 Cb 1.13 0.05 -0.23 0.00 -0.60 0.00 0.00 32.23 32.58 1ggr h LYS 147 CO 0.47 0.20 -0.38 -2.00 -3.45 0.00 0.00 179.45 174.29 1ggr s GLU 148 N -3.18 0.45 -0.28 1.90 2.12 -1.19 -4.93 118.70 113.59 1ggr s GLU 148 Ca -0.12 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.27 1ggr s GLU 148 Cb 0.00 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.64 1ggr s GLU 148 CO 0.43 -0.09 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.87 1ggr s LEU 149 N -0.55 3.68 -0.32 2.70 0.20 -1.26 -0.97 118.68 122.16 1ggr s LEU 149 Ca -0.06 -1.14 -0.07 0.00 0.69 0.00 0.00 54.13 53.54 1ggr s LEU 149 Cb -0.04 -1.70 0.02 0.00 -0.43 0.00 0.00 46.19 44.04 1ggr s LEU 149 CO 0.02 -0.22 0.11 -0.63 -0.29 0.00 0.00 176.35 175.34 1ggr s ILE 150 N 1.28 4.01 -0.04 6.68 1.01 -0.29 -5.00 121.20 128.84 1ggr s ILE 150 Ca -0.04 -0.87 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 1ggr s ILE 150 Cb -0.19 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1ggr s ILE 150 CO -0.02 -0.06 0.77 -0.54 0.00 0.00 0.00 174.94 175.09 1ggr s LYS 151 N 1.48 4.47 0.63 2.79 1.02 -1.26 -1.67 119.74 127.19 1ggr s LYS 151 Ca 0.01 1.01 0.03 0.00 0.02 0.00 0.00 55.97 57.04 1ggr s LYS 151 Cb -0.18 -3.44 0.09 0.00 -0.52 0.00 0.00 37.83 33.77 1ggr s LYS 151 CO 0.03 0.06 0.87 -0.51 -0.92 0.00 0.00 175.35 174.88 1ggr s LEU 152 N 0.78 3.11 0.14 3.17 1.43 -0.46 -5.01 118.68 121.84 1ggr s LEU 152 Ca 0.41 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1ggr s LEU 152 Cb -0.19 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1ggr s LEU 152 CO 0.21 -1.53 -0.10 -0.44 0.23 0.00 0.00 176.35 174.72 1ggr s SER 153 N -4.63 1.71 0.00 2.29 0.01 -1.26 -4.96 113.70 106.85 1ggr s SER 153 Ca 0.63 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1ggr s SER 153 Cb -0.07 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1ggr s SER 153 CO 0.41 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ggr n GLY 154 N -0.08 -1.53 3.86 3.44 0.00 -1.26 -4.94 105.19 104.68 1ggr n GLY 154 Ca -0.11 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1ggr n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ggr s SER 155 N -4.00 6.66 0.15 1.61 0.01 -1.26 0.56 113.70 117.43 1ggr s SER 155 Ca 0.00 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.10 1ggr s SER 155 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1ggr s SER 155 CO 0.00 0.27 -0.10 0.68 0.41 0.00 0.00 173.24 174.50 1ggr s VAL 156 N -1.22 1.16 -0.14 3.43 -7.23 0.49 -4.95 120.40 111.94 1ggr s VAL 156 Ca 0.27 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1ggr s VAL 156 Cb -0.15 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.94 1ggr s VAL 156 CO 0.14 -0.72 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.16 1ggr s THR 157 N -3.33 1.67 -0.32 5.32 2.01 -1.26 -2.36 115.64 117.36 1ggr s THR 157 Ca 0.17 -0.72 -0.39 0.00 0.31 0.00 0.00 61.69 61.07 1ggr s THR 157 Cb 0.03 -1.53 -0.17 0.00 0.01 0.00 0.00 72.50 70.84 1ggr s THR 157 CO 0.01 0.47 1.25 0.55 -0.69 0.00 0.00 174.62 176.22 1ggr n VAL 158 N 4.44 0.00 -2.06 3.82 3.14 -1.26 -0.89 118.33 125.52 1ggr n VAL 158 Ca -0.19 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.01 1ggr n VAL 158 Cb 0.51 -0.32 -0.04 0.00 -1.06 0.00 0.00 33.84 32.93 1ggr n VAL 158 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ggr n GLY 159 N 2.88 0.41 1.87 7.55 0.00 0.39 -4.77 105.19 113.53 1ggr n GLY 159 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ggr n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ggr n GLU 160 N -2.67 0.00 -2.97 1.61 4.07 -0.07 -4.72 120.64 115.88 1ggr n GLU 160 Ca -0.21 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.48 1ggr n GLU 160 Cb 0.65 -0.06 -0.05 0.00 -0.06 0.00 0.00 31.44 31.92 1ggr n GLU 160 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1ggr s THR 161 N -2.00 4.93 0.39 6.31 2.01 -0.87 -4.85 115.64 121.55 1ggr s THR 161 Ca 0.00 1.47 -0.27 0.00 0.31 0.00 0.00 61.69 63.20 1ggr s THR 161 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1ggr s THR 161 CO 0.00 0.06 1.39 -2.84 -0.69 0.00 0.00 174.62 172.54 1ggr s PRO 162 N 2.06 4.04 -0.03 4.92 0.02 -1.26 -0.34 135.00 144.40 1ggr s PRO 162 Ca 0.35 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.77 1ggr s PRO 162 Cb -0.16 -2.87 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 1ggr s PRO 162 CO 0.12 -0.51 0.02 1.33 -0.33 0.00 0.00 177.00 177.63 1ggr n VAL 163 N 0.31 0.22 -3.95 3.83 0.24 0.16 -4.78 118.33 114.38 1ggr n VAL 163 Ca 0.02 -0.15 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 1ggr n VAL 163 Cb 0.41 -0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 31.96 1ggr n VAL 163 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ggr s ILE 164 N -2.12 0.10 -0.08 1.34 1.01 -1.21 -1.36 121.20 118.88 1ggr s ILE 164 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1ggr s ILE 164 Cb 0.01 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1ggr s ILE 164 CO 0.16 -0.45 -0.18 -0.13 0.00 0.00 0.00 174.94 174.34 1ggr s ARG 165 N -1.40 2.27 0.13 2.79 0.52 -0.67 -0.61 118.95 121.97 1ggr s ARG 165 Ca -0.15 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 1ggr s ARG 165 Cb -0.09 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1ggr s ARG 165 CO -0.00 0.12 -0.15 0.96 0.02 0.00 0.00 175.30 176.25 1ggr s ILE 166 N 0.44 1.41 0.19 1.52 -4.36 0.14 -1.14 121.20 119.41 1ggr s ILE 166 Ca -0.15 -1.77 0.11 0.00 -0.26 0.00 0.00 60.65 58.59 1ggr s ILE 166 Cb -0.16 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 1ggr s ILE 166 CO 0.06 -0.41 -0.24 -0.75 0.24 0.00 0.00 174.94 173.83 1ggr s LYS 167 N -2.74 1.51 0.00 0.37 2.20 -0.14 0.21 119.74 121.15 1ggr s LYS 167 Ca 0.10 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.19 1ggr s LYS 167 Cb -0.05 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 1ggr s LYS 167 CO 0.04 0.40 0.00 1.17 -0.36 0.00 0.00 175.35 176.59