#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grg h PRO 11 N 0.00 0.00 -2.92 0.00 0.13 -1.90 -3.43 132.00 123.89 3grg h PRO 11 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 3grg h PRO 11 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 3grg h PRO 11 CO 0.00 0.20 -0.55 -1.17 -0.23 0.00 0.00 178.00 176.25 3grg s LEU 12 N -7.87 -0.22 0.03 1.56 0.20 -1.25 -0.37 118.68 110.76 3grg s LEU 12 Ca -0.03 0.53 0.05 0.00 0.69 0.00 0.00 54.13 55.37 3grg s LEU 12 Cb 0.14 0.60 -0.02 0.00 -0.43 0.00 0.00 46.19 46.48 3grg s LEU 12 CO 0.65 -0.24 -0.16 -0.32 -0.29 0.00 0.00 176.35 176.00 3grg s MET 13 N 2.35 1.06 -0.09 1.98 1.75 0.43 -4.32 119.30 122.46 3grg s MET 13 Ca 0.01 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.72 3grg s MET 13 Cb -0.12 -1.09 0.00 0.00 2.84 0.00 0.00 34.83 36.47 3grg s MET 13 CO -0.08 0.28 -0.21 0.08 -0.65 0.00 0.00 175.02 174.44 3grg s VAL 14 N -0.77 1.81 -0.10 10.11 1.01 -0.98 -0.82 120.40 130.65 3grg s VAL 14 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3grg s VAL 14 Cb -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3grg s VAL 14 CO 0.01 0.51 -0.17 -0.75 0.00 0.00 0.00 175.10 174.70 3grg s LYS 15 N 0.43 2.37 -0.17 2.72 2.20 0.01 -0.16 119.74 127.14 3grg s LYS 15 Ca -0.18 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 3grg s LYS 15 Cb -0.17 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 3grg s LYS 15 CO 0.07 0.00 -0.18 0.08 -0.36 0.00 0.00 175.35 174.96 3grg s VAL 16 N 0.80 2.29 -0.09 4.02 1.01 0.51 -0.68 120.40 128.26 3grg s VAL 16 Ca -0.10 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3grg s VAL 16 Cb -0.16 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3grg s VAL 16 CO 0.01 0.53 -0.12 -0.76 0.00 0.00 0.00 175.10 174.76 3grg s LEU 17 N 1.14 2.85 -0.55 3.92 1.43 0.33 -0.98 118.68 126.81 3grg s LEU 17 Ca 0.01 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.65 3grg s LEU 17 Cb -0.14 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3grg s LEU 17 CO -0.08 0.28 1.03 -0.62 0.23 0.00 0.00 176.35 177.19 3grg s ASP 18 N -0.33 6.39 0.17 2.29 -1.08 -0.28 -0.52 116.67 123.31 3grg s ASP 18 Ca 0.04 -0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.19 3grg s ASP 18 Cb -0.13 -2.48 0.89 0.00 -1.46 0.00 0.00 42.92 39.74 3grg s ASP 18 CO 0.02 -1.30 1.81 0.00 0.52 0.00 0.00 175.17 176.22 3grg n ALA 19 N 7.78 2.29 0.02 3.66 0.00 0.05 -1.04 120.51 133.27 3grg n ALA 19 Ca 0.05 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 3grg n ALA 19 Cb 0.48 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 3grg n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3grg h VAL 20 N 0.00 1.45 -0.00 0.00 2.07 -1.91 -3.38 116.25 114.48 3grg h VAL 20 Ca 0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 3grg h VAL 20 Cb 0.69 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 3grg h VAL 20 CO 0.00 0.69 -0.68 0.54 0.02 0.00 0.00 177.57 178.14 3grg n ARG 21 N -4.16 0.36 -3.16 1.57 1.74 -1.22 -5.00 116.66 106.79 3grg n ARG 21 Ca -0.16 -0.27 -0.14 0.00 -0.77 0.00 0.00 57.85 56.51 3grg n ARG 21 Cb 0.79 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.81 3grg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3grg n GLY 22 N 1.46 -0.48 3.39 -0.13 0.00 -0.21 -5.04 105.19 104.19 3grg n GLY 22 Ca 0.06 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 3grg n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3grg s SER 23 N -3.88 1.19 0.46 1.61 1.04 -1.09 -5.02 113.70 108.00 3grg s SER 23 Ca 0.14 -1.59 -0.22 0.00 0.48 0.00 0.00 55.95 54.76 3grg s SER 23 Cb -0.02 0.61 -0.08 0.00 0.10 0.00 0.00 66.02 66.63 3grg s SER 23 CO 0.64 -1.18 1.07 -2.84 0.98 0.00 0.00 173.24 171.90 3grg s PRO 24 N -3.27 3.89 -0.44 4.02 0.02 -1.26 -1.13 135.00 136.82 3grg s PRO 24 Ca 0.35 1.49 -0.24 0.00 0.02 0.00 0.00 61.00 62.62 3grg s PRO 24 Cb 0.01 -2.29 0.02 0.00 0.02 0.00 0.00 34.50 32.27 3grg s PRO 24 CO 0.23 -0.38 0.86 0.00 -0.33 0.00 0.00 177.00 177.38 3grg s ALA 25 N -1.79 3.29 -0.09 -1.55 0.00 -0.15 -4.57 121.76 116.89 3grg s ALA 25 Ca 0.64 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3grg s ALA 25 Cb -0.21 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3grg s ALA 25 CO 0.25 -1.92 0.03 0.42 0.00 0.00 0.00 175.76 174.54 3grg s ILE 26 N 3.50 4.57 -1.54 0.00 1.01 -1.26 -4.13 121.20 123.35 3grg s ILE 26 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 3grg s ILE 26 Cb -0.11 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.43 3grg s ILE 26 CO 0.24 0.61 0.45 0.59 0.00 0.00 0.00 174.94 176.82 3grg n ASN 27 N 2.10 -5.67 -4.80 3.58 3.02 -0.59 -4.93 115.26 107.97 3grg n ASN 27 Ca -0.19 -0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 53.78 3grg n ASN 27 Cb 0.54 -4.63 -0.07 0.00 -0.61 0.00 0.00 39.78 35.01 3grg n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3grg s VAL 28 N -3.09 5.43 0.18 2.41 1.01 -1.26 -4.71 120.40 120.36 3grg s VAL 28 Ca 0.24 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 3grg s VAL 28 Cb -0.11 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 3grg s VAL 28 CO 0.30 0.52 1.13 0.00 0.00 0.00 0.00 175.10 177.05 3grg s ALA 29 N -0.34 3.39 -0.11 5.51 0.00 -1.26 -1.29 121.76 127.66 3grg s ALA 29 Ca 0.13 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.96 3grg s ALA 29 Cb -0.12 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3grg s ALA 29 CO 0.02 -0.26 -0.15 0.08 0.00 0.00 0.00 175.76 175.46 3grg s VAL 30 N -0.20 1.47 -0.13 0.00 1.01 -0.46 -0.93 120.40 121.16 3grg s VAL 30 Ca 0.50 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3grg s VAL 30 Cb -0.30 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3grg s VAL 30 CO 0.35 0.44 -0.07 -1.00 0.00 0.00 0.00 175.10 174.82 3grg s HIS 31 N 1.05 2.95 -0.10 5.22 3.76 0.89 -2.07 115.29 127.00 3grg s HIS 31 Ca -0.05 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 3grg s HIS 31 Cb -0.15 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 3grg s HIS 31 CO -0.03 0.02 -0.04 0.08 -0.85 0.00 0.00 174.74 173.92 3grg s VAL 32 N 0.06 3.95 0.24 -0.90 1.01 0.96 -0.04 120.40 125.68 3grg s VAL 32 Ca -0.02 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3grg s VAL 32 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3grg s VAL 32 CO 0.03 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.23 3grg s PHE 33 N -0.52 1.83 -0.04 5.22 0.40 0.05 -0.32 117.98 124.60 3grg s PHE 33 Ca 0.08 -0.61 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 3grg s PHE 33 Cb -0.12 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.49 3grg s PHE 33 CO 0.02 0.34 -0.10 0.50 0.70 0.00 0.00 175.22 176.68 3grg s ARG 34 N -3.67 1.22 -0.03 0.44 3.52 -0.26 -0.98 118.95 119.19 3grg s ARG 34 Ca 0.26 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 3grg s ARG 34 Cb 0.01 -1.09 -0.06 0.00 -1.56 0.00 0.00 34.95 32.25 3grg s ARG 34 CO 0.09 0.09 1.68 0.21 -0.81 0.00 0.00 175.30 176.56 3grg s LYS 35 N 0.37 4.18 0.66 5.12 2.47 0.02 -0.80 119.74 131.77 3grg s LYS 35 Ca -0.07 2.24 0.01 0.00 -1.56 0.00 0.00 55.97 56.60 3grg s LYS 35 Cb -0.11 -3.96 0.10 0.00 -1.46 0.00 0.00 37.83 32.40 3grg s LYS 35 CO 0.01 -0.84 0.92 0.00 0.16 0.00 0.00 175.35 175.60 3grg s ALA 36 N 3.90 3.91 0.23 3.13 0.00 0.47 -4.75 121.76 128.65 3grg s ALA 36 Ca 0.75 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3grg s ALA 36 Cb -0.35 -1.93 0.39 0.00 0.00 0.00 0.00 23.12 21.23 3grg s ALA 36 CO 0.31 -1.22 1.71 0.00 0.00 0.00 0.00 175.76 176.56 3grg h ALA 37 N -0.29 0.89 -0.17 0.00 0.00 -1.93 -0.85 119.26 116.90 3grg h ALA 37 Ca -0.36 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3grg h ALA 37 Cb 1.28 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3grg h ALA 37 CO 0.43 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 3grg n ASP 38 N -5.09 1.47 0.00 0.00 5.68 -1.26 -4.85 116.55 112.51 3grg n ASP 38 Ca 0.12 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3grg n ASP 38 Cb 0.39 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3grg n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3grg n ASP 39 N 0.09 -0.88 -4.93 -1.12 -0.08 -0.33 -5.03 116.55 104.27 3grg n ASP 39 Ca 0.07 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.10 3grg n ASP 39 Cb 0.29 -0.45 0.03 0.00 2.34 0.00 0.00 41.12 43.33 3grg n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3grg s THR 40 N -3.17 3.33 -0.37 5.18 -4.23 -1.26 -4.74 115.64 110.39 3grg s THR 40 Ca 0.00 -0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.04 3grg s THR 40 Cb 0.00 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.54 3grg s THR 40 CO 0.00 -0.29 0.79 0.26 -0.54 0.00 0.00 174.62 174.84 3grg s TRP 41 N -2.92 3.11 -0.13 3.99 0.52 -1.26 -0.40 118.94 121.85 3grg s TRP 41 Ca 0.54 0.56 -0.13 0.00 0.02 0.00 0.00 56.10 57.10 3grg s TRP 41 Cb -0.10 -3.43 -0.05 0.00 -1.15 0.00 0.00 33.47 28.74 3grg s TRP 41 CO 0.43 -0.75 0.28 -1.83 0.02 0.00 0.00 176.95 175.09 3grg s GLU 42 N 3.14 4.05 0.11 4.98 -1.05 0.02 -4.84 118.70 125.10 3grg s GLU 42 Ca 0.32 0.10 -0.36 0.00 -0.15 0.00 0.00 54.97 54.87 3grg s GLU 42 Cb -0.13 -3.35 -0.16 0.00 -0.44 0.00 0.00 34.13 30.05 3grg s GLU 42 CO 0.17 0.42 1.40 -2.30 0.95 0.00 0.00 175.26 175.90 3grg n PRO 43 N 2.96 1.41 -0.01 -4.83 -0.02 -1.26 -1.10 135.00 132.15 3grg n PRO 43 Ca -0.14 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 3grg n PRO 43 Cb 0.52 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3grg n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3grg n PHE 44 N 2.73 0.00 -3.45 6.00 7.35 0.56 -4.81 117.46 125.84 3grg n PHE 44 Ca 0.18 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.76 3grg n PHE 44 Cb 0.22 -0.05 -0.02 0.00 0.35 0.00 0.00 39.48 39.98 3grg n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3grg s ALA 45 N -2.02 -1.67 0.10 3.13 0.00 -0.97 -5.00 121.76 115.32 3grg s ALA 45 Ca -0.02 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 3grg s ALA 45 Cb 0.01 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3grg s ALA 45 CO 0.02 -0.72 0.40 -1.54 0.00 0.00 0.00 175.76 173.92 3grg s SER 46 N -2.59 -0.25 -0.00 0.00 1.04 -1.26 -0.03 113.70 110.61 3grg s SER 46 Ca 0.01 -0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 3grg s SER 46 Cb -0.01 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.62 3grg s SER 46 CO -0.11 -0.78 0.73 0.61 0.98 0.00 0.00 173.24 174.67 3grg n GLY 47 N 0.04 0.44 3.18 7.32 0.00 -0.88 -4.97 105.19 110.32 3grg n GLY 47 Ca -0.17 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 3grg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grg s LYS 48 N -2.01 1.39 0.50 1.61 1.02 -1.26 -1.35 119.74 119.63 3grg s LYS 48 Ca 0.17 -0.71 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 3grg s LYS 48 Cb -0.01 -1.38 -0.07 0.00 -0.52 0.00 0.00 37.83 35.86 3grg s LYS 48 CO -0.00 0.37 1.16 0.95 -0.92 0.00 0.00 175.35 176.91 3grg s THR 49 N -0.53 3.08 0.66 2.17 -4.23 -0.41 -4.78 115.64 111.59 3grg s THR 49 Ca 0.07 0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 61.21 3grg s THR 49 Cb -0.07 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.58 3grg s THR 49 CO -0.00 -0.07 0.77 -1.54 -0.54 0.00 0.00 174.62 173.24 3grg n SER 50 N -0.87 -0.60 0.31 3.99 3.41 0.56 -1.54 113.62 118.87 3grg n SER 50 Ca 0.09 -1.15 0.18 0.00 -0.26 0.00 0.00 58.87 57.73 3grg n SER 50 Cb 0.49 -0.63 0.99 0.00 -0.26 0.00 0.00 64.21 64.81 3grg n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3grg h GLU 51 N 0.00 0.00 -0.23 4.33 4.39 -1.93 -1.15 114.58 119.98 3grg h GLU 51 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3grg h GLU 51 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3grg h GLU 51 CO 0.18 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.91 3grg n SER 52 N -3.54 1.83 0.00 1.42 3.41 -1.26 -4.80 113.62 110.68 3grg n SER 52 Ca -0.03 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 3grg n SER 52 Cb 0.10 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3grg n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3grg n GLY 53 N 1.14 0.37 3.91 5.00 0.00 -0.44 -4.80 105.19 110.38 3grg n GLY 53 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3grg n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3grg s GLU 54 N -0.54 3.44 -0.28 1.61 2.02 -1.26 -0.36 118.70 123.33 3grg s GLU 54 Ca 0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 3grg s GLU 54 Cb 0.00 -3.06 0.09 0.00 0.10 0.00 0.00 34.13 31.26 3grg s GLU 54 CO 0.00 0.63 0.08 -1.17 0.02 0.00 0.00 175.26 174.82 3grg s LEU 55 N -2.32 1.74 0.32 1.80 0.20 0.77 -0.32 118.68 120.86 3grg s LEU 55 Ca 0.32 -1.38 0.07 0.00 0.69 0.00 0.00 54.13 53.84 3grg s LEU 55 Cb -0.13 -0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 44.88 3grg s LEU 55 CO 0.25 -0.39 0.38 -1.00 -0.29 0.00 0.00 176.35 175.30 3grg s HIS 56 N 1.74 3.09 -0.82 5.38 3.76 -1.26 -2.32 115.29 124.86 3grg s HIS 56 Ca 0.07 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 3grg s HIS 56 Cb -0.17 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3grg s HIS 56 CO -0.22 0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 3grg n GLY 57 N -1.50 0.89 0.34 -2.22 0.00 -1.26 -4.91 105.19 96.53 3grg n GLY 57 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 3grg n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3grg h LEU 58 N 0.00 0.94 -8.36 0.99 3.38 -1.85 -3.47 115.31 106.95 3grg h LEU 58 Ca -0.17 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 3grg h LEU 58 Cb 0.58 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3grg h LEU 58 CO 0.24 0.76 -0.02 0.28 0.09 0.00 0.00 178.44 179.79 3grg s THR 59 N -5.68 0.00 0.25 0.22 -1.32 -1.26 -4.73 115.64 103.12 3grg s THR 59 Ca -0.11 -1.39 0.10 0.00 -1.21 0.00 0.00 61.69 59.09 3grg s THR 59 Cb 0.17 -2.79 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 3grg s THR 59 CO 0.80 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 173.45 3grg s THR 60 N -2.63 2.21 0.29 5.08 -4.23 -1.26 -4.52 115.64 110.59 3grg s THR 60 Ca 0.26 -2.31 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 3grg s THR 60 Cb -0.02 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 71.91 3grg s THR 60 CO 0.18 -0.44 1.80 -0.08 -0.54 0.00 0.00 174.62 175.54 3grg h GLU 61 N 2.45 0.85 -0.19 3.99 4.81 -1.99 -0.53 114.58 123.96 3grg h GLU 61 Ca -0.40 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 3grg h GLU 61 Cb 1.24 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3grg h GLU 61 CO 0.60 0.56 -0.48 1.49 -0.73 0.00 0.00 179.01 180.45 3grg h GLU 62 N 0.87 0.51 0.00 1.92 4.57 -2.04 -3.08 114.58 117.33 3grg h GLU 62 Ca 0.54 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 58.32 3grg h GLU 62 Cb 0.69 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3grg h GLU 62 CO -0.33 0.88 -0.51 0.93 -1.18 0.00 0.00 179.01 178.81 3grg h GLU 63 N 0.41 0.00 -4.16 1.92 5.08 -1.55 -3.39 114.58 112.88 3grg h GLU 63 Ca 0.02 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.64 3grg h GLU 63 Cb 0.99 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.09 3grg h GLU 63 CO 0.09 0.51 1.87 0.34 -1.00 0.00 0.00 179.01 180.81 3grg n PHE 64 N -3.35 3.86 -2.06 4.33 7.35 -0.43 -4.96 117.46 122.20 3grg n PHE 64 Ca 0.01 -3.02 -0.27 0.00 -0.76 0.00 0.00 57.45 53.41 3grg n PHE 64 Cb 0.67 -2.13 0.08 0.00 0.35 0.00 0.00 39.48 38.45 3grg n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3grg s VAL 65 N 1.27 2.23 0.51 -2.13 -7.23 -1.26 -4.96 120.40 108.84 3grg s VAL 65 Ca 0.42 -0.11 -0.21 0.00 -1.81 0.00 0.00 61.98 60.26 3grg s VAL 65 Cb 0.05 -3.03 -0.08 0.00 0.56 0.00 0.00 36.38 33.88 3grg s VAL 65 CO 0.00 -0.04 1.02 -0.62 -0.31 0.00 0.00 175.10 175.16 3grg n GLU 66 N -3.09 1.22 -3.93 4.82 1.02 -1.26 -4.84 120.64 114.57 3grg n GLU 66 Ca 0.08 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3grg n GLU 66 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3grg n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3grg n GLY 67 N 1.18 -1.47 3.42 0.62 0.00 -1.14 -4.99 105.19 102.81 3grg n GLY 67 Ca 0.11 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 3grg n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grg s ILE 68 N -2.94 3.61 0.08 -0.61 1.01 -1.26 0.13 121.20 121.22 3grg s ILE 68 Ca 0.00 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.30 3grg s ILE 68 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3grg s ILE 68 CO 0.00 0.48 -0.25 -0.31 0.00 0.00 0.00 174.94 174.86 3grg s TYR 69 N 0.68 2.16 -0.09 3.97 1.51 0.19 -0.80 117.35 124.96 3grg s TYR 69 Ca -0.03 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 3grg s TYR 69 Cb -0.15 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3grg s TYR 69 CO 0.02 0.20 -0.18 0.21 -1.11 0.00 0.00 175.55 174.70 3grg s LYS 70 N -1.60 2.38 -0.29 -0.62 2.20 -0.15 -1.26 119.74 120.40 3grg s LYS 70 Ca 0.11 -0.64 -0.09 0.00 -0.36 0.00 0.00 55.97 54.99 3grg s LYS 70 Cb -0.10 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3grg s LYS 70 CO 0.04 0.05 0.14 0.08 -0.36 0.00 0.00 175.35 175.29 3grg s VAL 71 N 0.66 4.68 -0.24 4.02 1.01 0.89 -0.77 120.40 130.65 3grg s VAL 71 Ca -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3grg s VAL 71 Cb -0.16 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3grg s VAL 71 CO 0.04 0.19 -0.06 -0.70 0.00 0.00 0.00 175.10 174.57 3grg s GLU 72 N 1.65 3.04 -0.24 2.72 2.12 0.94 -1.02 118.70 127.90 3grg s GLU 72 Ca 0.06 -0.84 -0.07 0.00 0.36 0.00 0.00 54.97 54.47 3grg s GLU 72 Cb -0.16 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3grg s GLU 72 CO 0.07 -0.32 0.07 0.42 -0.54 0.00 0.00 175.26 174.95 3grg s ILE 73 N 1.38 4.36 -0.19 -3.70 1.01 0.12 -0.07 121.20 124.12 3grg s ILE 73 Ca 0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 3grg s ILE 73 Cb -0.16 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 3grg s ILE 73 CO -0.04 0.35 1.27 -1.81 0.00 0.00 0.00 174.94 174.70 3grg s ASP 74 N 1.53 6.90 0.00 3.58 1.01 -0.11 -0.54 116.67 129.04 3grg s ASP 74 Ca 0.06 1.61 0.00 0.00 0.71 0.00 0.00 52.55 54.93 3grg s ASP 74 Cb -0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3grg s ASP 74 CO 0.04 -0.81 0.67 0.35 0.21 0.00 0.00 175.17 175.62 3grg n THR 75 N 5.51 0.45 0.01 -1.27 -2.24 -0.59 -4.61 114.28 111.53 3grg n THR 75 Ca 0.14 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.33 3grg n THR 75 Cb 0.45 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 3grg n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3grg h LYS 76 N 0.00 -0.09 -0.01 -0.78 3.64 -1.62 -3.01 116.57 114.71 3grg h LYS 76 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3grg h LYS 76 Cb 0.48 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3grg h LYS 76 CO 0.00 -0.06 -0.12 -1.13 -2.27 0.00 0.00 179.45 175.87 3grg n SER 77 N -2.91 1.28 0.30 4.20 3.41 -1.26 -4.31 113.62 114.32 3grg n SER 77 Ca -0.01 -1.21 0.19 0.00 -0.26 0.00 0.00 58.87 57.57 3grg n SER 77 Cb 0.05 0.06 1.01 0.00 -0.26 0.00 0.00 64.21 65.08 3grg n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3grg h TYR 78 N 1.82 0.00 -0.02 7.33 3.20 -1.84 -1.68 116.97 125.78 3grg h TYR 78 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3grg h TYR 78 Cb 0.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3grg h TYR 78 CO 0.00 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 177.43 3grg n TRP 79 N -3.46 0.00 -0.27 -3.82 5.03 -1.26 -4.69 117.44 108.97 3grg n TRP 79 Ca -0.02 -0.00 -0.01 0.00 3.03 0.00 0.00 57.50 60.50 3grg n TRP 79 Cb 0.15 -0.00 0.11 0.00 -1.03 0.00 0.00 31.31 30.54 3grg n TRP 79 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 3grg h LYS 80 N 2.88 0.82 0.00 -0.99 1.63 -1.47 -1.18 116.57 118.25 3grg h LYS 80 Ca 0.00 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3grg h LYS 80 Cb 0.61 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3grg h LYS 80 CO 0.00 0.54 -0.03 0.00 -3.45 0.00 0.00 179.45 176.51 3grg h ALA 81 N 1.36 1.14 0.00 5.00 0.00 -1.84 0.65 119.26 125.58 3grg h ALA 81 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3grg h ALA 81 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3grg h ALA 81 CO -0.16 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.41 3grg n LEU 82 N -3.33 0.66 -0.70 0.00 4.77 -0.46 -4.93 117.00 113.01 3grg n LEU 82 Ca -0.02 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.46 3grg n LEU 82 Cb 0.16 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3grg n LEU 82 CO 0.25 -0.23 -0.08 0.61 -1.33 0.00 0.00 177.39 176.60 3grg n GLY 83 N 1.04 0.74 3.27 -0.72 0.00 0.23 -5.02 105.19 104.73 3grg n GLY 83 Ca 0.05 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3grg n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grg s ILE 84 N -2.33 2.36 -0.19 -0.61 1.01 -1.20 -5.05 121.20 115.20 3grg s ILE 84 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 3grg s ILE 84 Cb 0.00 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3grg s ILE 84 CO 0.00 0.55 0.63 -0.55 0.00 0.00 0.00 174.94 175.57 3grg s SER 85 N 0.33 6.70 0.90 3.58 0.15 -1.26 -4.23 113.70 119.87 3grg s SER 85 Ca -0.16 0.85 -0.13 0.00 0.70 0.00 0.00 55.95 57.21 3grg s SER 85 Cb -0.17 -2.35 0.13 0.00 -1.71 0.00 0.00 66.02 61.92 3grg s SER 85 CO 0.08 -0.27 1.17 -2.16 1.20 0.00 0.00 173.24 173.26 3grg s PRO 86 N 1.85 1.23 0.62 5.44 0.04 -1.26 -4.93 135.00 137.99 3grg s PRO 86 Ca 0.29 0.13 0.32 0.00 0.04 0.00 0.00 61.00 61.78 3grg s PRO 86 Cb -0.16 -1.86 1.77 0.00 0.04 0.00 0.00 34.50 34.29 3grg s PRO 86 CO 0.11 -2.11 2.09 0.00 0.04 0.00 0.00 177.00 177.13 3grg h MET 87 N -1.43 0.00 -2.02 4.56 -0.00 -0.75 -3.44 114.93 111.85 3grg h MET 87 Ca -0.48 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.26 3grg h MET 87 Cb 1.32 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 32.73 3grg h MET 87 CO 0.59 0.00 0.41 -1.58 -0.00 0.00 0.00 176.91 176.33 3grg s HIS 88 N -4.43 -0.46 -1.00 -0.10 5.65 -1.26 -5.04 115.29 108.65 3grg s HIS 88 Ca -0.04 0.61 0.12 0.00 0.25 0.00 0.00 55.06 56.00 3grg s HIS 88 Cb 0.13 0.48 0.51 0.00 -1.18 0.00 0.00 32.58 32.52 3grg s HIS 88 CO 0.46 -0.52 1.38 -0.85 -0.65 0.00 0.00 174.74 174.56 3grg n GLU 89 N 0.39 0.00 -4.19 2.88 0.28 -1.26 -4.64 120.64 114.10 3grg n GLU 89 Ca -0.13 0.30 -0.12 0.00 -0.16 0.00 0.00 57.16 57.05 3grg n GLU 89 Cb 0.59 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.86 3grg n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3grg s HIS 90 N -3.00 1.00 -0.22 -1.84 3.76 -1.26 -1.55 115.29 112.18 3grg s HIS 90 Ca 0.06 -0.86 -0.07 0.00 -0.15 0.00 0.00 55.06 54.04 3grg s HIS 90 Cb 0.08 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 3grg s HIS 90 CO 0.22 -0.08 0.06 0.00 -0.85 0.00 0.00 174.74 174.09 3grg s ALA 91 N -3.48 3.23 -0.07 -1.40 0.00 0.30 -4.85 121.76 115.47 3grg s ALA 91 Ca 0.13 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3grg s ALA 91 Cb 0.04 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 3grg s ALA 91 CO -0.03 -0.23 -0.24 -1.21 0.00 0.00 0.00 175.76 174.06 3grg s GLU 92 N 1.13 2.70 -0.09 0.00 8.01 -1.26 0.16 118.70 129.35 3grg s GLU 92 Ca 0.04 -0.88 0.02 0.00 0.01 0.00 0.00 54.97 54.16 3grg s GLU 92 Cb -0.14 -2.23 0.01 0.00 -4.31 0.00 0.00 34.13 27.46 3grg s GLU 92 CO 0.03 0.35 -0.14 0.08 0.01 0.00 0.00 175.26 175.59 3grg s VAL 93 N -0.07 1.33 -0.15 2.63 1.01 -0.19 -4.98 120.40 119.99 3grg s VAL 93 Ca -0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3grg s VAL 93 Cb -0.15 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3grg s VAL 93 CO 0.05 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 174.83 3grg s VAL 94 N 0.92 3.94 0.07 2.92 1.01 -1.26 -0.07 120.40 127.93 3grg s VAL 94 Ca -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3grg s VAL 94 Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3grg s VAL 94 CO 0.00 0.51 -0.07 0.72 0.00 0.00 0.00 175.10 176.25 3grg s PHE 95 N 0.19 0.79 -0.22 5.22 -0.71 -0.39 -4.99 117.98 117.87 3grg s PHE 95 Ca -0.02 -0.69 -0.08 0.00 -1.04 0.00 0.00 56.93 55.10 3grg s PHE 95 Cb -0.14 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 3grg s PHE 95 CO 0.03 -0.11 0.10 0.99 -1.34 0.00 0.00 175.22 174.88 3grg s THR 96 N -2.44 4.78 0.13 -4.49 2.01 -1.26 -0.64 115.64 113.74 3grg s THR 96 Ca 0.01 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.01 3grg s THR 96 Cb -0.03 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3grg s THR 96 CO -0.02 0.38 0.19 0.00 -0.69 0.00 0.00 174.62 174.48 3grg s ALA 97 N 1.05 3.79 0.00 7.40 0.00 0.12 -4.83 121.76 129.29 3grg s ALA 97 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3grg s ALA 97 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3grg s ALA 97 CO 0.04 0.60 0.00 0.09 0.00 0.00 0.00 175.76 176.49 3grg n ASN 98 N -0.20 0.00 0.00 0.00 3.02 -1.26 -2.90 115.26 113.92 3grg n ASN 98 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3grg n ASN 98 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 3grg n ASN 98 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3grg n ASP 99 N 4.65 0.00 0.00 6.41 10.43 -1.26 -4.70 116.55 132.08 3grg n ASP 99 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3grg n ASP 99 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3grg n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3grg n SER 100 N 1.81 0.00 0.00 -2.24 7.64 -1.26 -4.87 113.62 114.71 3grg n SER 100 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 3grg n SER 100 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3grg n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grg n GLY 101 N -0.80 4.42 3.67 0.23 0.00 -1.26 -5.08 105.19 106.38 3grg n GLY 101 Ca 0.00 -0.79 -0.47 0.00 0.00 0.00 0.00 46.02 44.76 3grg n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3grg n PRO 102 N 0.00 2.36 -5.03 1.61 -0.04 -1.26 -4.87 135.00 127.76 3grg n PRO 102 Ca 0.00 0.86 -0.28 0.00 -0.04 0.00 0.00 63.50 64.04 3grg n PRO 102 Cb 0.00 -2.75 -0.16 0.00 -0.04 0.00 0.00 33.50 30.55 3grg n PRO 102 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3grg s ARG 103 N 4.26 1.88 -0.07 0.54 6.06 -1.26 -4.85 118.95 125.52 3grg s ARG 103 Ca 0.92 -0.75 -0.15 0.00 -2.50 0.00 0.00 55.73 53.26 3grg s ARG 103 Cb -0.62 -1.72 -0.05 0.00 0.06 0.00 0.00 34.95 32.61 3grg s ARG 103 CO 0.49 0.39 0.38 1.03 -2.50 0.00 0.00 175.30 175.09 3grg s ARG 104 N -0.30 4.04 -0.14 5.12 0.52 -0.33 -4.88 118.95 122.99 3grg s ARG 104 Ca 0.03 0.31 -0.00 0.00 -0.52 0.00 0.00 55.73 55.55 3grg s ARG 104 Cb -0.10 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 3grg s ARG 104 CO 0.01 0.49 -0.13 0.71 0.02 0.00 0.00 175.30 176.39 3grg s TYR 105 N -0.39 2.80 -0.16 -0.53 1.51 0.50 -1.29 117.35 119.80 3grg s TYR 105 Ca 0.22 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3grg s TYR 105 Cb -0.15 -1.86 0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3grg s TYR 105 CO 0.10 -0.27 -0.18 0.99 -1.11 0.00 0.00 175.55 175.08 3grg s THR 106 N 0.45 2.36 -0.33 -0.71 2.01 0.08 -0.42 115.64 119.08 3grg s THR 106 Ca -0.10 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 60.94 3grg s THR 106 Cb -0.16 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3grg s THR 106 CO 0.05 0.52 0.16 -0.63 -0.69 0.00 0.00 174.62 174.03 3grg s ILE 107 N 1.03 4.54 -0.18 1.82 -1.09 -0.00 -0.49 121.20 126.82 3grg s ILE 107 Ca -0.01 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.79 3grg s ILE 107 Cb -0.15 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3grg s ILE 107 CO -0.05 -0.01 0.01 0.00 -1.23 0.00 0.00 174.94 173.66 3grg s ALA 108 N 1.59 3.15 -0.11 9.38 0.00 -0.51 -0.81 121.76 134.46 3grg s ALA 108 Ca 0.04 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3grg s ALA 108 Cb -0.18 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3grg s ALA 108 CO 0.06 0.04 -0.15 0.00 0.00 0.00 0.00 175.76 175.71 3grg s ALA 109 N 0.65 1.69 -0.42 0.00 0.00 0.15 -0.94 121.76 122.89 3grg s ALA 109 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 3grg s ALA 109 Cb -0.14 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.16 3grg s ALA 109 CO 0.02 -0.10 0.43 -1.64 0.00 0.00 0.00 175.76 174.47 3grg s MET 110 N 1.02 3.10 -0.09 0.00 -1.94 -0.12 -0.52 119.30 120.76 3grg s MET 110 Ca -0.06 -0.76 -0.02 0.00 -1.71 0.00 0.00 55.69 53.14 3grg s MET 110 Cb -0.15 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 32.70 3grg s MET 110 CO -0.02 -0.84 -0.01 -0.51 -0.01 0.00 0.00 175.02 173.63 3grg s LEU 111 N 2.11 3.52 0.09 -0.03 1.43 0.32 -1.91 118.68 124.22 3grg s LEU 111 Ca 0.12 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3grg s LEU 111 Cb -0.17 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3grg s LEU 111 CO 0.13 0.37 -0.01 -0.44 0.23 0.00 0.00 176.35 176.64 3grg s SER 112 N -0.83 0.62 0.39 2.29 0.01 -0.81 -0.77 113.70 114.60 3grg s SER 112 Ca 0.13 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.36 3grg s SER 112 Cb -0.11 0.20 0.78 0.00 0.21 0.00 0.00 66.02 67.10 3grg s SER 112 CO 0.02 -0.61 2.04 -0.65 0.41 0.00 0.00 173.24 174.44 3grg h PRO 113 N 2.99 0.65 -0.08 12.44 0.11 -1.98 -2.95 132.00 143.17 3grg h PRO 113 Ca -0.35 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3grg h PRO 113 Cb 1.17 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3grg h PRO 113 CO 0.63 0.43 -0.12 0.66 -0.21 0.00 0.00 178.00 179.40 3grg n TYR 114 N -4.46 0.27 -3.45 0.65 4.02 -1.26 0.04 117.16 112.96 3grg n TYR 114 Ca 0.05 -1.15 -0.12 0.00 -0.01 0.00 0.00 57.90 56.67 3grg n TYR 114 Cb 0.07 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.13 3grg n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3grg s SER 115 N -2.77 -0.54 0.11 7.72 0.15 -1.12 -4.97 113.70 112.29 3grg s SER 115 Ca 0.36 0.02 -0.25 0.00 0.70 0.00 0.00 55.95 56.79 3grg s SER 115 Cb 0.32 0.58 0.08 0.00 -1.71 0.00 0.00 66.02 65.29 3grg s SER 115 CO 0.01 -0.93 0.69 -0.72 1.20 0.00 0.00 173.24 173.49 3grg s TYR 116 N -3.56 -0.48 -0.19 3.44 1.13 -1.26 -1.93 117.35 114.50 3grg s TYR 116 Ca 0.00 0.29 -0.01 0.00 -1.41 0.00 0.00 57.07 55.94 3grg s TYR 116 Cb -0.01 0.56 0.05 0.00 -1.10 0.00 0.00 41.96 41.46 3grg s TYR 116 CO -0.11 -0.76 -0.01 0.45 -2.51 0.00 0.00 175.55 172.60 3grg s SER 117 N -2.67 3.06 0.00 -0.18 0.15 -0.80 -5.01 113.70 108.24 3grg s SER 117 Ca 0.02 -0.83 0.08 0.00 0.70 0.00 0.00 55.95 55.93 3grg s SER 117 Cb -0.01 -0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 63.45 3grg s SER 117 CO -0.12 -0.25 -0.26 -0.89 1.20 0.00 0.00 173.24 172.93 3grg s THR 118 N 1.68 2.03 -0.02 6.45 2.01 -1.26 -0.95 115.64 125.58 3grg s THR 118 Ca -0.01 -1.18 0.04 0.00 0.31 0.00 0.00 61.69 60.85 3grg s THR 118 Cb -0.17 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 3grg s THR 118 CO -0.07 0.50 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.32 3grg s THR 119 N -0.66 1.19 -0.27 -0.82 2.01 -0.12 -4.99 115.64 111.98 3grg s THR 119 Ca 0.10 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 3grg s THR 119 Cb -0.10 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 3grg s THR 119 CO -0.00 0.34 0.18 0.00 -0.69 0.00 0.00 174.62 174.45 3grg s ALA 120 N -0.19 3.55 -0.27 7.40 0.00 -1.26 -1.42 121.76 129.57 3grg s ALA 120 Ca 0.02 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 3grg s ALA 120 Cb -0.07 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3grg s ALA 120 CO 0.00 -0.46 0.12 0.08 0.00 0.00 0.00 175.76 175.50 3grg s VAL 121 N 1.58 4.66 -0.15 0.00 1.01 0.36 -4.97 120.40 122.89 3grg s VAL 121 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3grg s VAL 121 Cb -0.15 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3grg s VAL 121 CO 0.09 0.28 -0.21 -0.69 0.00 0.00 0.00 175.10 174.58 3grg s VAL 122 N 1.66 2.02 0.12 2.92 1.01 -1.26 -0.74 120.40 126.13 3grg s VAL 122 Ca 0.06 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3grg s VAL 122 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3grg s VAL 122 CO 0.06 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 176.00 3grg s THR 123 N 1.00 1.21 0.00 3.92 -4.23 -0.41 -4.96 115.64 112.17 3grg s THR 123 Ca -0.03 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3grg s THR 123 Cb -0.15 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.16 3grg s THR 123 CO -0.06 -0.50 0.00 -0.46 -0.54 0.00 0.00 174.62 173.06