#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4gr1 s ALA 19 N 0.00 3.30 0.00 3.52 0.00 -1.17 -4.89 121.76 122.52 4gr1 s ALA 19 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 4gr1 s ALA 19 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 4gr1 s ALA 19 CO 0.00 0.01 -0.07 0.45 0.00 0.00 0.00 175.76 176.15 4gr1 s SER 20 N -0.43 4.64 0.34 0.00 0.15 -1.26 -1.21 113.70 115.92 4gr1 s SER 20 Ca 0.45 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 57.00 4gr1 s SER 20 Cb -0.26 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.93 4gr1 s SER 20 CO 0.32 0.29 0.14 -0.31 1.20 0.00 0.00 173.24 174.88 4gr1 s TYR 21 N -0.99 1.70 -0.03 3.44 1.51 -0.49 -4.94 117.35 117.55 4gr1 s TYR 21 Ca 0.17 -1.30 0.12 0.00 -1.01 0.00 0.00 57.07 55.05 4gr1 s TYR 21 Cb -0.11 -0.99 -0.18 0.00 -0.11 0.00 0.00 41.96 40.56 4gr1 s TYR 21 CO 0.07 -0.40 0.91 -0.44 -1.11 0.00 0.00 175.55 174.59 4gr1 h ASP 22 N 2.07 0.00 -2.63 2.29 3.45 0.02 -3.37 116.42 118.25 4gr1 h ASP 22 Ca -0.35 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.10 4gr1 h ASP 22 Cb 1.26 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.79 4gr1 h ASP 22 CO 0.55 0.87 -0.18 -0.47 -1.57 0.00 0.00 179.24 178.44 4gr1 s TYR 23 N -2.72 -0.99 -0.18 4.55 5.04 -1.01 -3.70 117.35 118.34 4gr1 s TYR 23 Ca -0.02 1.88 -0.03 0.00 -2.44 0.00 0.00 57.07 56.46 4gr1 s TYR 23 Cb 0.09 0.54 -0.02 0.00 0.35 0.00 0.00 41.96 42.91 4gr1 s TYR 23 CO 0.81 -0.52 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.94 4gr1 s LEU 24 N 2.20 3.08 -0.23 6.97 1.43 -1.06 -1.54 118.68 129.52 4gr1 s LEU 24 Ca -0.07 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 4gr1 s LEU 24 Cb -0.09 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.39 4gr1 s LEU 24 CO -0.17 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.76 4gr1 s VAL 25 N 0.75 2.93 -0.52 -1.59 1.01 -0.74 -0.08 120.40 122.15 4gr1 s VAL 25 Ca -0.02 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 4gr1 s VAL 25 Cb -0.15 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.89 4gr1 s VAL 25 CO 0.02 0.31 0.65 -0.63 0.00 0.00 0.00 175.10 175.45 4gr1 s ILE 26 N 1.37 4.85 0.00 2.22 1.01 0.11 -0.17 121.20 130.58 4gr1 s ILE 26 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.13 4gr1 s ILE 26 Cb -0.15 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.98 4gr1 s ILE 26 CO -0.05 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.63 4gr1 n GLY 27 N 5.19 3.69 2.41 6.18 0.00 -0.61 0.28 105.19 122.33 4gr1 n GLY 27 Ca -0.07 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 4gr1 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gr1 n GLY 28 N 0.00 5.95 0.00 -0.02 0.00 -1.24 -4.22 105.19 105.67 4gr1 n GLY 28 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.50 4gr1 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gr1 n GLY 29 N -0.70 2.95 0.26 -0.02 0.00 -1.26 -1.82 105.19 104.60 4gr1 n GLY 29 Ca 0.52 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 4gr1 n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 4gr1 h SER 30 N 0.00 -0.72 -0.05 1.61 0.02 -1.93 -1.54 113.55 110.93 4gr1 h SER 30 Ca 0.00 0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 4gr1 h SER 30 Cb 0.00 0.35 0.01 0.00 0.14 0.00 0.00 62.40 62.90 4gr1 h SER 30 CO 0.00 -0.26 -0.67 1.23 -1.14 0.00 0.00 176.83 175.99 4gr1 h GLY 31 N -0.22 0.60 0.78 -3.77 0.00 -1.87 -2.98 103.07 95.61 4gr1 h GLY 31 Ca 0.14 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 4gr1 h GLY 31 CO -0.39 0.84 -0.03 -1.33 0.00 0.00 0.00 176.54 175.64 4gr1 h GLY 32 N 0.12 -0.09 0.55 4.60 0.00 -1.71 -2.16 103.07 104.38 4gr1 h GLY 32 Ca -0.07 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.32 4gr1 h GLY 32 CO 0.13 -0.03 -0.20 1.41 0.00 0.00 0.00 176.54 177.85 4gr1 h LEU 33 N -0.30 -0.59 -1.00 3.11 3.38 -1.43 -1.12 115.31 117.36 4gr1 h LEU 33 Ca -0.01 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.08 4gr1 h LEU 33 Cb 0.27 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 4gr1 h LEU 33 CO 0.01 -0.27 0.65 0.00 0.09 0.00 0.00 178.44 178.92 4gr1 h ALA 34 N 0.54 1.32 0.10 1.53 0.00 -1.49 -1.00 119.26 120.26 4gr1 h ALA 34 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 4gr1 h ALA 34 Cb 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.83 4gr1 h ALA 34 CO -0.17 0.55 -0.05 1.03 0.00 0.00 0.00 179.25 180.61 4gr1 h SER 35 N 1.26 -0.11 -0.30 0.00 0.87 -1.29 -2.81 113.55 111.18 4gr1 h SER 35 Ca 0.40 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 4gr1 h SER 35 Cb -0.01 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 4gr1 h SER 35 CO -0.12 0.18 0.19 0.00 -0.53 0.00 0.00 176.83 176.54 4gr1 h ALA 36 N 0.46 0.38 -0.59 6.23 0.00 -1.00 -0.78 119.26 123.96 4gr1 h ALA 36 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 4gr1 h ALA 36 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 4gr1 h ALA 36 CO 0.02 -0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.52 4gr1 h ARG 37 N 0.40 0.74 -0.17 0.00 3.08 -1.25 -0.01 114.38 117.17 4gr1 h ARG 37 Ca 0.11 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 4gr1 h ARG 37 Cb -0.02 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.87 4gr1 h ARG 37 CO -0.02 0.49 -0.76 -0.09 -1.07 0.00 0.00 179.97 178.52 4gr1 h ARG 38 N 0.77 0.80 -0.24 0.04 9.65 -1.28 -2.54 114.38 121.57 4gr1 h ARG 38 Ca 0.23 -0.64 0.03 0.00 -1.10 0.00 0.00 59.98 58.49 4gr1 h ARG 38 Cb -0.04 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 4gr1 h ARG 38 CO -0.07 1.25 0.07 0.00 2.80 0.00 0.00 179.97 184.02 4gr1 h ALA 39 N 0.57 0.26 -0.75 2.80 0.00 -0.88 -2.49 119.26 118.78 4gr1 h ALA 39 Ca -0.05 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 4gr1 h ALA 39 Cb 1.39 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 4gr1 h ALA 39 CO 0.16 -0.35 0.46 0.00 0.00 0.00 0.00 179.25 179.52 4gr1 h ALA 40 N 1.16 1.00 -0.27 0.00 0.00 -0.87 -0.59 119.26 119.68 4gr1 h ALA 40 Ca 0.11 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.08 4gr1 h ALA 40 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 4gr1 h ALA 40 CO -0.12 0.21 0.24 0.93 0.00 0.00 0.00 179.25 180.51 4gr1 h GLU 41 N 0.87 0.00 -0.00 0.00 5.08 -1.02 0.94 114.58 120.44 4gr1 h GLU 41 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 4gr1 h GLU 41 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 4gr1 h GLU 41 CO -0.14 0.00 -0.11 1.28 -1.00 0.00 0.00 179.01 179.04 4gr1 n LEU 42 N -4.06 0.46 0.00 1.33 4.77 -0.25 -4.89 117.00 114.36 4gr1 n LEU 42 Ca 0.04 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 4gr1 n LEU 42 Cb 0.39 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 4gr1 n LEU 42 CO 0.31 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 4gr1 n GLY 43 N 1.28 0.75 3.76 -0.72 0.00 0.32 -4.98 105.19 105.61 4gr1 n GLY 43 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 4gr1 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gr1 s ALA 44 N -2.00 2.89 -0.48 4.61 0.00 -1.06 -4.97 121.76 120.75 4gr1 s ALA 44 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 4gr1 s ALA 44 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.73 4gr1 s ALA 44 CO 0.00 -0.95 0.45 0.50 0.00 0.00 0.00 175.76 175.76 4gr1 s ARG 45 N -2.82 3.02 0.16 0.00 6.06 -1.26 -4.36 118.95 119.73 4gr1 s ARG 45 Ca 0.67 -1.22 0.09 0.00 -2.50 0.00 0.00 55.73 52.78 4gr1 s ARG 45 Cb -0.33 -4.12 -0.04 0.00 0.06 0.00 0.00 34.95 30.52 4gr1 s ARG 45 CO 0.39 -1.07 -0.15 0.00 -2.50 0.00 0.00 175.30 171.97 4gr1 s ALA 46 N 1.89 2.78 0.01 6.12 0.00 -1.26 0.75 121.76 132.05 4gr1 s ALA 46 Ca 0.07 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.61 4gr1 s ALA 46 Cb -0.23 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 4gr1 s ALA 46 CO 0.08 0.51 -0.11 0.00 0.00 0.00 0.00 175.76 176.25 4gr1 s ALA 47 N -1.47 0.87 -0.21 0.00 0.00 -0.59 -1.83 121.76 118.53 4gr1 s ALA 47 Ca 0.21 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 4gr1 s ALA 47 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 4gr1 s ALA 47 CO 0.12 0.18 -0.00 0.08 0.00 0.00 0.00 175.76 176.14 4gr1 s VAL 48 N -0.53 3.89 -0.13 0.00 1.01 0.49 -1.79 120.40 123.34 4gr1 s VAL 48 Ca 0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 4gr1 s VAL 48 Cb -0.06 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 4gr1 s VAL 48 CO 0.00 0.42 0.36 -0.69 0.00 0.00 0.00 175.10 175.19 4gr1 s VAL 49 N 1.14 5.24 -0.08 2.92 1.01 0.76 -0.04 120.40 131.35 4gr1 s VAL 49 Ca 0.03 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 4gr1 s VAL 49 Cb -0.14 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.59 4gr1 s VAL 49 CO 0.01 0.40 0.18 -0.70 0.00 0.00 0.00 175.10 175.00 4gr1 s GLU 50 N 0.28 0.11 0.02 2.72 2.56 -0.70 -1.58 118.70 122.12 4gr1 s GLU 50 Ca 0.20 0.47 0.22 0.00 0.00 0.00 0.00 54.97 55.86 4gr1 s GLU 50 Cb -0.14 -0.17 -0.22 0.00 2.00 0.00 0.00 34.13 35.60 4gr1 s GLU 50 CO 0.07 -0.20 0.69 -1.13 -0.56 0.00 0.00 175.26 174.13 4gr1 n SER 51 N 4.50 0.33 0.00 -1.70 3.41 -0.95 -0.30 113.62 118.91 4gr1 n SER 51 Ca -0.21 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 4gr1 n SER 51 Cb 0.51 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 4gr1 n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 4gr1 n HIS 52 N -2.21 0.00 -4.83 7.33 8.25 -1.26 -4.56 115.22 117.95 4gr1 n HIS 52 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 4gr1 n HIS 52 Cb 0.52 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 4gr1 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 4gr1 s LYS 53 N 2.69 2.49 0.75 -0.41 1.02 -1.26 -5.00 119.74 120.01 4gr1 s LYS 53 Ca 0.00 -0.71 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 4gr1 s LYS 53 Cb 0.00 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 34.97 4gr1 s LYS 53 CO 0.00 0.62 1.21 -0.51 -0.92 0.00 0.00 175.35 175.75 4gr1 s LEU 54 N -0.83 3.28 0.00 3.17 1.43 -1.26 -2.78 118.68 121.68 4gr1 s LEU 54 Ca 0.12 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 4gr1 s LEU 54 Cb -0.11 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.52 4gr1 s LEU 54 CO 0.01 -2.36 0.00 0.61 0.23 0.00 0.00 176.35 174.84 4gr1 n GLY 55 N 0.45 2.18 7.00 -3.19 0.00 -0.75 -4.79 105.19 106.08 4gr1 n GLY 55 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 4gr1 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gr1 n GLY 56 N -0.02 0.92 0.15 -0.02 0.00 -1.12 -3.54 105.19 101.56 4gr1 n GLY 56 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 4gr1 n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 4gr1 h THR 57 N 0.00 1.13 -0.15 2.61 2.02 -1.94 -2.82 112.91 113.76 4gr1 h THR 57 Ca 0.00 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.87 4gr1 h THR 57 Cb 0.00 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 4gr1 h THR 57 CO 0.00 0.13 -0.09 0.00 0.37 0.00 0.00 175.52 175.94 4gr1 h VAL 59 N -0.08 1.43 0.02 0.00 2.07 -1.62 -1.34 116.25 116.72 4gr1 h VAL 59 Ca 0.09 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 4gr1 h VAL 59 Cb 0.21 2.26 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 4gr1 h VAL 59 CO -0.20 0.36 -0.39 0.78 0.02 0.00 0.00 177.57 178.14 4gr1 h ASN 60 N -0.43 0.31 -0.24 0.57 2.35 -1.46 -3.39 115.58 113.30 4gr1 h ASN 60 Ca 0.00 -0.81 -0.21 0.00 -0.55 0.00 0.00 56.30 54.73 4gr1 h ASN 60 Cb 0.62 -0.10 -0.39 0.00 0.05 0.00 0.00 38.32 38.50 4gr1 h ASN 60 CO 0.01 1.09 -1.08 1.33 -1.65 0.00 0.00 177.43 177.13 4gr1 n VAL 61 N -4.40 0.70 0.00 2.81 0.24 -0.69 -4.80 118.33 112.20 4gr1 n VAL 61 Ca -0.10 -2.05 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 4gr1 n VAL 61 Cb 0.58 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 4gr1 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 4gr1 n GLY 62 N -0.12 4.13 0.39 7.63 0.00 -0.25 -4.79 105.19 112.19 4gr1 n GLY 62 Ca 0.06 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 4gr1 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gr1 h VAL 64 N 0.00 0.00 -0.54 0.00 2.07 -1.62 -1.35 116.25 114.81 4gr1 h VAL 64 Ca 0.22 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.85 4gr1 h VAL 64 Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 4gr1 h VAL 64 CO -0.92 0.00 0.37 1.55 0.02 0.00 0.00 177.57 178.59 4gr1 h PRO 65 N -0.20 0.24 0.25 1.57 0.13 -1.75 -2.28 132.00 129.97 4gr1 h PRO 65 Ca -0.02 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 4gr1 h PRO 65 Cb 0.14 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 4gr1 h PRO 65 CO 0.03 0.16 -0.20 -0.22 -0.23 0.00 0.00 178.00 177.54 4gr1 h LYS 66 N 0.25 -0.45 -0.63 0.86 3.11 -1.18 -2.61 116.57 115.92 4gr1 h LYS 66 Ca 0.25 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.07 4gr1 h LYS 66 Cb 0.67 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.97 4gr1 h LYS 66 CO -0.05 -0.30 0.18 -0.22 -2.81 0.00 0.00 179.45 176.25 4gr1 h LYS 67 N -0.47 0.97 -0.14 1.90 1.63 -0.70 0.14 116.57 119.90 4gr1 h LYS 67 Ca -0.01 -0.20 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 4gr1 h LYS 67 Cb 0.42 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 4gr1 h LYS 67 CO -0.02 0.84 0.05 0.28 -3.45 0.00 0.00 179.45 177.16 4gr1 h VAL 68 N 0.93 0.97 -0.70 2.00 2.07 -1.40 -0.81 116.25 119.32 4gr1 h VAL 68 Ca 0.21 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 4gr1 h VAL 68 Cb 0.29 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 4gr1 h VAL 68 CO -0.01 0.02 0.27 0.24 0.02 0.00 0.00 177.57 178.12 4gr1 h MET 69 N 0.12 1.03 -0.61 1.57 2.86 -1.02 -2.22 114.93 116.66 4gr1 h MET 69 Ca 0.06 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 4gr1 h MET 69 Cb 0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 4gr1 h MET 69 CO -0.06 0.84 0.09 2.35 1.06 0.00 0.00 176.91 181.20 4gr1 h TRP 70 N 1.01 1.09 -0.18 -0.22 7.01 -0.46 -1.11 115.95 123.10 4gr1 h TRP 70 Ca 0.23 -0.15 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 4gr1 h TRP 70 Cb 0.20 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 4gr1 h TRP 70 CO 0.02 0.94 -0.10 -0.91 -2.79 0.00 0.00 178.44 175.59 4gr1 h ASN 71 N 0.93 0.26 -0.11 2.65 2.35 -1.04 0.13 115.58 120.74 4gr1 h ASN 71 Ca 0.19 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 4gr1 h ASN 71 Cb 0.44 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 4gr1 h ASN 71 CO 0.01 0.39 0.03 0.74 -1.65 0.00 0.00 177.43 176.95 4gr1 h THR 72 N 0.26 1.20 -0.62 2.81 2.02 -1.10 -2.60 112.91 114.89 4gr1 h THR 72 Ca 0.06 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 4gr1 h THR 72 Cb 0.34 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 4gr1 h THR 72 CO 0.02 0.18 0.37 0.00 0.37 0.00 0.00 175.52 176.46 4gr1 h ALA 73 N 0.81 0.79 -0.83 6.16 0.00 -0.49 -2.31 119.26 123.39 4gr1 h ALA 73 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.99 4gr1 h ALA 73 Cb 0.26 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 4gr1 h ALA 73 CO 0.00 0.26 0.54 0.28 0.00 0.00 0.00 179.25 180.34 4gr1 h VAL 74 N 0.83 0.88 -0.64 0.00 2.07 -0.74 -1.00 116.25 117.67 4gr1 h VAL 74 Ca 0.22 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 4gr1 h VAL 74 Cb -0.02 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 4gr1 h VAL 74 CO -0.04 0.12 0.05 -0.74 0.02 0.00 0.00 177.57 176.99 4gr1 h HIS 75 N 0.68 1.17 -0.16 1.57 2.76 -1.02 -1.15 115.15 118.99 4gr1 h HIS 75 Ca 0.40 -0.18 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 4gr1 h HIS 75 Cb 0.60 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 4gr1 h HIS 75 CO -0.00 1.00 -0.08 1.03 -1.30 0.00 0.00 177.93 178.58 4gr1 h SER 76 N 1.00 -0.27 -0.45 3.26 0.87 -0.87 -1.25 113.55 115.85 4gr1 h SER 76 Ca 0.19 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 4gr1 h SER 76 Cb 0.50 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 4gr1 h SER 76 CO 0.02 -0.11 -0.16 -0.33 -0.53 0.00 0.00 176.83 175.72 4gr1 h GLU 77 N -0.07 0.91 -0.71 2.24 5.08 -1.29 -2.93 114.58 117.81 4gr1 h GLU 77 Ca 0.09 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 4gr1 h GLU 77 Cb 0.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 4gr1 h GLU 77 CO -0.21 1.02 0.21 0.74 -1.00 0.00 0.00 179.01 179.78 4gr1 h PHE 78 N 0.74 1.16 -0.21 4.33 0.05 -1.20 -2.10 116.94 119.70 4gr1 h PHE 78 Ca 0.11 -0.12 0.06 0.00 3.82 0.00 0.00 57.97 61.84 4gr1 h PHE 78 Cb 0.72 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 4gr1 h PHE 78 CO 0.05 0.93 0.20 1.98 -0.18 0.00 0.00 178.31 181.29 4gr1 h MET 79 N 1.06 0.00 0.00 1.51 1.85 -1.11 0.09 114.93 118.32 4gr1 h MET 79 Ca 0.23 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.27 4gr1 h MET 79 Cb 0.33 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 4gr1 h MET 79 CO -0.00 0.00 -0.25 0.45 -0.40 0.00 0.00 176.91 176.71 4gr1 h HIS 80 N 0.00 0.00 -0.01 1.39 3.86 -1.20 -2.70 115.15 116.50 4gr1 h HIS 80 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 4gr1 h HIS 80 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 4gr1 h HIS 80 CO 0.00 0.25 -0.12 -0.25 0.86 0.00 0.00 177.93 178.67 4gr1 n ASP 81 N -3.87 0.80 -0.13 2.45 10.43 0.01 -4.53 116.55 121.72 4gr1 n ASP 81 Ca -0.02 -0.90 -0.04 0.00 2.57 0.00 0.00 54.79 56.40 4gr1 n ASP 81 Cb 0.34 0.01 0.02 0.00 1.84 0.00 0.00 41.12 43.32 4gr1 n ASP 81 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 4gr1 h HIS 82 N 1.07 -0.18 -0.63 1.24 2.76 -1.38 -2.01 115.15 116.03 4gr1 h HIS 82 Ca 0.00 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 4gr1 h HIS 82 Cb 0.40 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 4gr1 h HIS 82 CO 0.00 -0.16 0.04 0.00 -1.30 0.00 0.00 177.93 176.51 4gr1 h ALA 83 N 1.41 0.84 -0.01 5.26 0.00 -1.80 -1.36 119.26 123.60 4gr1 h ALA 83 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 4gr1 h ALA 83 Cb 0.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 4gr1 h ALA 83 CO -0.41 0.65 0.05 -0.44 0.00 0.00 0.00 179.25 179.10 4gr1 h ASP 84 N 0.99 0.00 -0.72 0.00 3.45 -1.66 -2.34 116.42 116.15 4gr1 h ASP 84 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 4gr1 h ASP 84 Cb 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 4gr1 h ASP 84 CO 0.02 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.47 4gr1 n TYR 85 N -3.19 1.16 0.00 4.55 4.02 -0.54 -4.88 117.16 118.28 4gr1 n TYR 85 Ca -0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.33 4gr1 n TYR 85 Cb 0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 4gr1 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 4gr1 n GLY 86 N 1.52 0.76 3.94 2.72 0.00 -0.88 -5.07 105.19 108.19 4gr1 n GLY 86 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 4gr1 n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4gr1 s PHE 87 N -2.00 1.97 0.05 1.61 0.08 -1.04 -5.03 117.98 113.62 4gr1 s PHE 87 Ca 0.00 -0.68 -0.09 0.00 0.12 0.00 0.00 56.93 56.29 4gr1 s PHE 87 Cb 0.00 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.29 4gr1 s PHE 87 CO 0.00 -0.55 0.35 -2.14 -0.10 0.00 0.00 175.22 172.78 4gr1 s PRO 88 N -4.35 3.70 0.15 0.24 0.02 -1.26 -4.03 135.00 129.47 4gr1 s PRO 88 Ca 0.47 0.09 -0.34 0.00 0.02 0.00 0.00 61.00 61.24 4gr1 s PRO 88 Cb -0.04 -3.03 -0.16 0.00 0.02 0.00 0.00 34.50 31.29 4gr1 s PRO 88 CO 0.29 0.60 1.21 0.45 -0.33 0.00 0.00 177.00 179.22 4gr1 n SER 89 N 1.01 1.43 -4.72 2.53 2.88 -1.26 -4.65 113.62 110.84 4gr1 n SER 89 Ca -0.09 1.14 -0.38 0.00 -1.33 0.00 0.00 58.87 58.21 4gr1 n SER 89 Cb 0.52 -1.21 -0.06 0.00 -0.75 0.00 0.00 64.21 62.71 4gr1 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4gr1 n GLU 91 N 3.77 0.02 0.00 0.00 0.28 -1.26 -5.04 120.64 118.41 4gr1 n GLU 91 Ca -0.08 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 4gr1 n GLU 91 Cb 0.52 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.88 4gr1 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 4gr1 n GLY 92 N 1.49 3.93 3.67 -1.84 0.00 -1.26 -5.06 105.19 106.12 4gr1 n GLY 92 Ca 0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 4gr1 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4gr1 s LYS 93 N 4.20 4.17 0.21 1.61 -2.85 -1.26 -5.00 119.74 120.82 4gr1 s LYS 93 Ca 0.00 2.37 -0.30 0.00 -1.00 0.00 0.00 55.97 57.04 4gr1 s LYS 93 Cb 0.00 -3.95 -0.09 0.00 -2.06 0.00 0.00 37.83 31.74 4gr1 s LYS 93 CO 0.00 -0.86 1.25 0.12 0.10 0.00 0.00 175.35 175.97 4gr1 s PHE 94 N 3.83 3.32 -0.38 1.78 5.36 -1.26 -5.00 117.98 125.63 4gr1 s PHE 94 Ca 0.79 1.34 -0.08 0.00 -0.96 0.00 0.00 56.93 58.01 4gr1 s PHE 94 Cb -0.38 -3.52 0.06 0.00 -0.34 0.00 0.00 43.02 38.83 4gr1 s PHE 94 CO 0.34 -1.54 0.19 1.21 -1.46 0.00 0.00 175.22 173.96 4gr1 s ASN 95 N 0.14 5.51 0.23 6.13 3.84 -1.26 -4.93 114.94 124.60 4gr1 s ASN 95 Ca 0.54 -1.32 -0.07 0.00 0.21 0.00 0.00 52.86 52.22 4gr1 s ASN 95 Cb -0.35 -1.94 0.28 0.00 -0.55 0.00 0.00 41.25 38.69 4gr1 s ASN 95 CO 0.39 -0.44 1.86 -0.25 -2.79 0.00 0.00 177.10 175.87 4gr1 h TRP 96 N 8.32 0.96 0.00 0.43 2.91 -1.95 -3.07 115.95 123.55 4gr1 h TRP 96 Ca -0.23 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.77 4gr1 h TRP 96 Cb 1.08 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.42 4gr1 h TRP 96 CO 0.60 0.51 -0.25 0.07 -1.03 0.00 0.00 178.44 178.34 4gr1 h ARG 97 N 0.97 0.00 0.32 2.65 0.11 -1.92 -0.30 114.38 116.20 4gr1 h ARG 97 Ca 0.35 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.41 4gr1 h ARG 97 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 4gr1 h ARG 97 CO -0.15 0.25 -0.16 0.28 0.10 0.00 0.00 179.97 180.29 4gr1 h VAL 98 N 0.00 0.68 0.00 0.08 2.07 -1.92 -1.46 116.25 115.71 4gr1 h VAL 98 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 4gr1 h VAL 98 Cb 0.57 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 4gr1 h VAL 98 CO 0.03 0.00 -0.54 -0.29 0.02 0.00 0.00 177.57 176.79 4gr1 h ILE 99 N -0.43 1.03 -0.17 4.57 6.09 -1.62 -2.99 117.51 123.99 4gr1 h ILE 99 Ca -0.04 -2.16 -0.17 0.00 -1.37 0.00 0.00 64.86 61.12 4gr1 h ILE 99 Cb 0.33 2.30 -0.00 0.00 0.47 0.00 0.00 36.82 39.92 4gr1 h ILE 99 CO 0.07 0.53 -0.61 0.50 -3.07 0.00 0.00 178.15 175.57 4gr1 h LYS 100 N 0.00 0.58 -0.50 2.19 3.64 -0.72 -1.18 116.57 120.58 4gr1 h LYS 100 Ca -0.01 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 4gr1 h LYS 100 Cb 1.26 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 4gr1 h LYS 100 CO 0.07 1.01 0.11 0.93 -2.27 0.00 0.00 179.45 179.30 4gr1 h GLU 101 N 0.43 0.81 -0.19 1.90 5.08 -1.26 -1.80 114.58 119.54 4gr1 h GLU 101 Ca -0.01 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 4gr1 h GLU 101 Cb 1.18 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 4gr1 h GLU 101 CO 0.12 0.79 -0.21 0.87 -1.00 0.00 0.00 179.01 179.58 4gr1 h LYS 102 N 0.69 0.34 -0.19 2.33 1.57 -1.37 -2.26 116.57 117.69 4gr1 h LYS 102 Ca 0.15 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 4gr1 h LYS 102 Cb 0.36 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 4gr1 h LYS 102 CO 0.00 0.55 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.22 4gr1 h ARG 103 N 0.31 0.42 -0.78 3.15 2.43 -1.04 -2.52 114.38 116.34 4gr1 h ARG 103 Ca 0.05 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 4gr1 h ARG 103 Cb 0.56 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 4gr1 h ARG 103 CO 0.04 0.74 0.39 -0.44 -1.51 0.00 0.00 179.97 179.18 4gr1 h ASP 104 N 0.10 1.01 -0.50 -3.80 3.32 -1.10 -2.04 116.42 113.40 4gr1 h ASP 104 Ca 0.04 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 4gr1 h ASP 104 Cb 0.63 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 4gr1 h ASP 104 CO 0.03 0.84 0.14 0.00 -1.72 0.00 0.00 179.24 178.53 4gr1 h ALA 105 N 1.32 0.66 -0.97 3.45 0.00 -1.39 -1.33 119.26 121.00 4gr1 h ALA 105 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.00 4gr1 h ALA 105 Cb 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 4gr1 h ALA 105 CO -0.04 0.34 0.64 -0.92 0.00 0.00 0.00 179.25 179.27 4gr1 h TYR 106 N 0.69 1.21 -0.41 0.00 3.20 -0.97 0.52 116.97 121.22 4gr1 h TYR 106 Ca 0.16 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 4gr1 h TYR 106 Cb 0.31 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 4gr1 h TYR 106 CO 0.02 0.74 -0.18 0.28 -1.64 0.00 0.00 178.16 177.38 4gr1 h VAL 107 N 1.29 1.27 -0.46 1.81 2.07 -1.25 -2.16 116.25 118.81 4gr1 h VAL 107 Ca 0.36 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 4gr1 h VAL 107 Cb -0.11 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 4gr1 h VAL 107 CO -0.09 0.43 0.18 0.28 0.02 0.00 0.00 177.57 178.39 4gr1 h SER 108 N 0.68 0.64 -0.50 0.57 0.02 -0.04 -1.33 113.55 113.59 4gr1 h SER 108 Ca 0.10 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.96 4gr1 h SER 108 Cb 0.67 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 4gr1 h SER 108 CO 0.05 0.64 0.15 0.03 -1.14 0.00 0.00 176.83 176.55 4gr1 h ARG 109 N 0.61 0.29 -0.52 3.45 3.08 -0.75 -2.21 114.38 118.33 4gr1 h ARG 109 Ca 0.15 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 4gr1 h ARG 109 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 4gr1 h ARG 109 CO -0.01 0.19 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.97 4gr1 h LEU 110 N 0.30 0.90 -1.39 3.04 3.38 -1.10 -2.58 115.31 117.86 4gr1 h LEU 110 Ca 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 4gr1 h LEU 110 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 4gr1 h LEU 110 CO -0.28 0.98 0.22 0.78 0.09 0.00 0.00 178.44 180.23 4gr1 h ASN 111 N 0.84 0.57 0.88 -0.43 -0.26 -0.64 -1.58 115.58 114.96 4gr1 h ASN 111 Ca 0.15 -0.05 -0.18 0.00 -0.56 0.00 0.00 56.30 55.66 4gr1 h ASN 111 Cb 0.55 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 4gr1 h ASN 111 CO 0.03 0.49 -0.84 0.00 -1.06 0.00 0.00 177.43 176.05 4gr1 h ALA 112 N 1.60 0.59 -0.61 -0.83 0.00 -1.12 -2.53 119.26 116.36 4gr1 h ALA 112 Ca 0.16 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 4gr1 h ALA 112 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 4gr1 h ALA 112 CO -0.02 1.05 0.20 0.82 0.00 0.00 0.00 179.25 181.30 4gr1 h ILE 113 N 0.00 1.24 -0.59 0.00 2.04 -1.19 -1.63 117.51 117.38 4gr1 h ILE 113 Ca -0.01 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 4gr1 h ILE 113 Cb 1.51 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 4gr1 h ILE 113 CO 0.11 0.31 0.17 1.88 0.00 0.00 0.00 178.15 180.62 4gr1 h TYR 114 N 0.88 0.96 -0.45 1.37 -1.99 -1.17 0.27 116.97 116.84 4gr1 h TYR 114 Ca 0.20 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 4gr1 h TYR 114 Cb 0.28 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 4gr1 h TYR 114 CO 0.02 0.81 0.23 0.37 -0.00 0.00 0.00 178.16 179.59 4gr1 h GLN 115 N 0.84 0.63 -0.43 4.88 4.15 -1.29 -2.08 115.11 121.80 4gr1 h GLN 115 Ca 0.19 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 4gr1 h GLN 115 Cb 0.31 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 4gr1 h GLN 115 CO -0.00 0.52 0.02 -0.97 -1.93 0.00 0.00 178.83 176.47 4gr1 h ASN 116 N 0.58 0.64 -0.68 -0.69 -0.00 -1.11 -1.31 115.58 113.02 4gr1 h ASN 116 Ca 0.16 -0.13 0.01 0.00 -0.00 0.00 0.00 56.30 56.33 4gr1 h ASN 116 Cb 0.09 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.20 4gr1 h ASN 116 CO -0.02 0.70 0.45 0.78 -0.00 0.00 0.00 177.43 179.33 4gr1 h ASN 117 N 0.65 0.78 0.11 1.15 -0.26 -0.36 -0.56 115.58 117.08 4gr1 h ASN 117 Ca 0.13 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 4gr1 h ASN 117 Cb 0.37 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 4gr1 h ASN 117 CO 0.01 0.56 -0.05 -0.07 -1.06 0.00 0.00 177.43 176.82 4gr1 h LEU 118 N 0.92 -0.13 -0.19 1.61 3.38 -0.63 -2.83 115.31 117.44 4gr1 h LEU 118 Ca 0.25 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.95 4gr1 h LEU 118 Cb -0.10 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 4gr1 h LEU 118 CO -0.06 0.28 -0.32 0.71 0.09 0.00 0.00 178.44 179.15 4gr1 h THR 119 N -0.56 0.28 -0.07 0.22 1.35 -0.86 -0.07 112.91 113.21 4gr1 h THR 119 Ca -0.02 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.86 4gr1 h THR 119 Cb 0.45 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 4gr1 h THR 119 CO 0.03 0.00 0.12 0.11 -0.25 0.00 0.00 175.52 175.53 4gr1 h LYS 120 N -0.36 0.00 -0.00 4.72 1.57 -1.09 0.31 116.57 121.72 4gr1 h LYS 120 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 4gr1 h LYS 120 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 4gr1 h LYS 120 CO -0.39 0.00 -0.39 0.43 -0.57 0.00 0.00 179.45 178.53 4gr1 n SER 121 N -3.48 0.84 -0.99 0.86 7.64 -0.10 -4.93 113.62 113.45 4gr1 n SER 121 Ca -0.01 -0.65 -0.09 0.00 1.01 0.00 0.00 58.87 59.13 4gr1 n SER 121 Cb 0.21 0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 4gr1 n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 4gr1 n HIS 122 N -1.01 -0.39 -3.08 1.43 8.25 0.10 -4.90 115.22 115.61 4gr1 n HIS 122 Ca 0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 4gr1 n HIS 122 Cb 0.35 -2.23 -0.05 0.00 1.12 0.00 0.00 29.99 29.18 4gr1 n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 4gr1 s ILE 123 N -2.43 5.06 0.27 1.59 1.01 -0.83 -4.74 121.20 121.13 4gr1 s ILE 123 Ca 0.00 1.37 -0.28 0.00 0.00 0.00 0.00 60.65 61.74 4gr1 s ILE 123 Cb 0.00 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 4gr1 s ILE 123 CO 0.00 0.25 0.94 -0.70 0.00 0.00 0.00 174.94 175.43 4gr1 s GLU 124 N 0.87 4.74 -0.26 2.79 2.12 -0.76 -4.51 118.70 123.68 4gr1 s GLU 124 Ca 0.36 1.42 -0.06 0.00 0.36 0.00 0.00 54.97 57.04 4gr1 s GLU 124 Cb -0.17 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 4gr1 s GLU 124 CO 0.17 0.42 0.04 0.42 -0.54 0.00 0.00 175.26 175.77 4gr1 s ILE 125 N -1.36 3.92 -0.26 -3.70 1.01 -1.26 -0.38 121.20 119.17 4gr1 s ILE 125 Ca 0.45 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 4gr1 s ILE 125 Cb -0.23 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 4gr1 s ILE 125 CO 0.29 0.27 0.10 -0.63 0.00 0.00 0.00 174.94 174.96 4gr1 s ILE 126 N 1.53 4.48 -0.14 2.92 1.01 0.95 -4.92 121.20 127.04 4gr1 s ILE 126 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 4gr1 s ILE 126 Cb -0.16 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 4gr1 s ILE 126 CO 0.01 0.28 0.41 -0.13 0.00 0.00 0.00 174.94 175.51 4gr1 s ARG 127 N 1.63 4.29 0.00 2.79 3.00 -1.26 -1.72 118.95 127.68 4gr1 s ARG 127 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 55.73 56.10 4gr1 s ARG 127 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 34.95 31.35 4gr1 s ARG 127 CO 0.05 0.16 0.00 0.41 0.00 0.00 0.00 175.30 175.92 4gr1 n GLY 128 N 3.39 0.99 3.60 -3.53 0.00 0.59 -4.90 105.19 105.33 4gr1 n GLY 128 Ca -0.09 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 4gr1 n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 4gr1 s HIS 129 N -1.23 3.23 0.21 1.61 2.46 -1.26 -2.24 115.29 118.06 4gr1 s HIS 129 Ca 0.00 0.02 -0.03 0.00 0.47 0.00 0.00 55.06 55.52 4gr1 s HIS 129 Cb 0.00 -2.21 -0.05 0.00 -0.13 0.00 0.00 32.58 30.19 4gr1 s HIS 129 CO 0.00 -0.02 0.44 0.00 -2.47 0.00 0.00 174.74 172.69 4gr1 s ALA 130 N 1.02 3.75 -0.10 1.58 0.00 -1.26 -4.44 121.76 122.31 4gr1 s ALA 130 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 4gr1 s ALA 130 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.88 4gr1 s ALA 130 CO 0.04 0.45 0.34 0.00 0.00 0.00 0.00 175.76 176.59 4gr1 s ALA 131 N -1.87 -0.85 0.77 0.00 0.00 -1.13 -4.66 121.76 114.02 4gr1 s ALA 131 Ca 0.41 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 4gr1 s ALA 131 Cb -0.11 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.65 4gr1 s ALA 131 CO 0.28 -0.19 1.11 -0.06 0.00 0.00 0.00 175.76 176.90 4gr1 s PHE 132 N -0.19 2.42 0.44 0.00 0.40 -0.19 -1.09 117.98 119.77 4gr1 s PHE 132 Ca -0.03 1.59 0.07 0.00 -0.60 0.00 0.00 56.93 57.96 4gr1 s PHE 132 Cb -0.03 -3.14 -0.02 0.00 0.51 0.00 0.00 43.02 40.34 4gr1 s PHE 132 CO 0.01 -1.97 0.34 0.95 0.70 0.00 0.00 175.22 175.26 4gr1 s THR 133 N -2.69 2.39 0.41 0.64 -4.23 0.43 -4.77 115.64 107.81 4gr1 s THR 133 Ca 0.64 -1.45 0.17 0.00 -1.18 0.00 0.00 61.69 59.87 4gr1 s THR 133 Cb -0.19 -2.83 0.17 0.00 1.34 0.00 0.00 72.50 70.99 4gr1 s THR 133 CO 0.53 0.00 1.95 0.77 -0.54 0.00 0.00 174.62 177.32 4gr1 h SER 134 N 1.06 0.00 -2.22 3.99 4.64 -1.87 -3.43 113.55 115.72 4gr1 h SER 134 Ca -0.41 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.30 4gr1 h SER 134 Cb 1.27 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.50 4gr1 h SER 134 CO 0.60 0.24 -0.40 0.47 -0.87 0.00 0.00 176.83 176.87 4gr1 n ASP 135 N -4.08 -0.85 0.00 4.97 10.43 -1.26 -4.95 116.55 120.81 4gr1 n ASP 135 Ca -0.02 0.94 0.00 0.00 2.57 0.00 0.00 54.79 58.28 4gr1 n ASP 135 Cb 0.30 -1.10 0.00 0.00 1.84 0.00 0.00 41.12 42.16 4gr1 n ASP 135 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 4gr1 n PRO 136 N 0.68 0.00 -2.18 -0.24 -0.02 -1.26 -4.36 135.00 127.62 4gr1 n PRO 136 Ca 0.12 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 4gr1 n PRO 136 Cb 0.38 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 4gr1 n PRO 136 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 4gr1 s LYS 137 N -2.69 4.35 -0.26 -0.52 -2.85 -1.26 -4.83 119.74 111.68 4gr1 s LYS 137 Ca 0.00 2.09 -0.39 0.00 -1.00 0.00 0.00 55.97 56.67 4gr1 s LYS 137 Cb 0.00 -3.20 -0.15 0.00 -2.06 0.00 0.00 37.83 32.42 4gr1 s LYS 137 CO 0.00 -0.32 1.79 -2.30 0.10 0.00 0.00 175.35 174.62 4gr1 n PRO 138 N 2.95 1.31 -3.81 1.78 -0.02 -1.26 -4.92 135.00 131.03 4gr1 n PRO 138 Ca 0.08 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 4gr1 n PRO 138 Cb 0.42 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 4gr1 n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 4gr1 s THR 139 N 3.83 0.03 0.31 3.45 2.01 -1.26 -4.40 115.64 119.61 4gr1 s THR 139 Ca 0.98 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.83 4gr1 s THR 139 Cb -1.00 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 4gr1 s THR 139 CO 0.63 -0.13 0.13 0.27 -0.69 0.00 0.00 174.62 174.83 4gr1 s ILE 140 N -0.45 3.33 -0.05 1.82 -4.36 -1.01 -0.43 121.20 120.04 4gr1 s ILE 140 Ca -0.06 -1.68 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 4gr1 s ILE 140 Cb -0.04 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.66 4gr1 s ILE 140 CO 0.01 -0.24 -0.16 -0.70 0.24 0.00 0.00 174.94 174.09 4gr1 s GLU 141 N -3.82 1.83 -0.21 0.37 2.12 -0.25 -1.13 118.70 117.61 4gr1 s GLU 141 Ca 0.36 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 55.10 4gr1 s GLU 141 Cb -0.04 -1.54 0.07 0.00 0.26 0.00 0.00 34.13 32.87 4gr1 s GLU 141 CO 0.23 0.17 0.06 0.08 -0.54 0.00 0.00 175.26 175.25 4gr1 s VAL 142 N 0.24 0.44 -0.85 3.70 1.01 -0.29 -2.85 120.40 121.80 4gr1 s VAL 142 Ca -0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 4gr1 s VAL 142 Cb -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.21 4gr1 s VAL 142 CO 0.03 -0.31 0.72 -1.20 0.00 0.00 0.00 175.10 174.34 4gr1 n SER 143 N 5.07 -2.47 0.00 3.32 7.64 -1.26 -2.86 113.62 123.07 4gr1 n SER 143 Ca -0.08 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.38 4gr1 n SER 143 Cb 0.46 -3.73 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 4gr1 n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4gr1 n GLY 144 N -1.16 2.37 3.90 0.23 0.00 -1.26 -4.99 105.19 104.29 4gr1 n GLY 144 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 4gr1 n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4gr1 s LYS 145 N 0.00 3.61 0.11 1.61 1.02 -1.13 -5.07 119.74 119.88 4gr1 s LYS 145 Ca 0.00 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 55.90 4gr1 s LYS 145 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 4gr1 s LYS 145 CO 0.00 0.43 0.17 0.15 -0.92 0.00 0.00 175.35 175.17 4gr1 s LYS 146 N -2.88 3.14 0.03 1.68 1.02 -1.26 -1.14 119.74 120.33 4gr1 s LYS 146 Ca 0.41 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.69 4gr1 s LYS 146 Cb -0.12 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 4gr1 s LYS 146 CO 0.26 0.55 0.10 0.71 -0.92 0.00 0.00 175.35 176.05 4gr1 s TYR 147 N -1.58 0.17 0.14 3.18 2.02 -0.28 -3.07 117.35 117.94 4gr1 s TYR 147 Ca 0.32 -0.44 -0.15 0.00 -0.37 0.00 0.00 57.07 56.43 4gr1 s TYR 147 Cb -0.12 -0.13 0.03 0.00 -0.40 0.00 0.00 41.96 41.34 4gr1 s TYR 147 CO 0.25 -0.35 0.40 -0.08 -1.57 0.00 0.00 175.55 174.20 4gr1 s THR 148 N -2.37 0.07 -0.01 -0.71 -1.32 -0.35 -2.41 115.64 108.54 4gr1 s THR 148 Ca -0.07 -0.77 -0.28 0.00 -1.21 0.00 0.00 61.69 59.36 4gr1 s THR 148 Cb -0.02 -1.35 0.10 0.00 -1.51 0.00 0.00 72.50 69.71 4gr1 s THR 148 CO -0.03 -0.30 0.82 0.00 -2.21 0.00 0.00 174.62 172.90 4gr1 s ALA 149 N -3.84 -1.79 -0.89 11.08 0.00 -1.26 -1.40 121.76 123.65 4gr1 s ALA 149 Ca 0.06 1.06 0.27 0.00 0.00 0.00 0.00 51.96 53.35 4gr1 s ALA 149 Cb 0.02 0.24 1.05 0.00 0.00 0.00 0.00 23.12 24.42 4gr1 s ALA 149 CO -0.09 -0.59 1.84 -0.35 0.00 0.00 0.00 175.76 176.57 4gr1 n PRO 150 N 0.07 0.09 -3.79 0.00 -0.04 -1.26 -4.54 135.00 125.53 4gr1 n PRO 150 Ca -0.12 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.18 4gr1 n PRO 150 Cb 0.61 -1.61 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 4gr1 n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 4gr1 s HIS 151 N -3.05 1.17 -0.17 0.54 3.76 -1.24 -4.53 115.29 111.77 4gr1 s HIS 151 Ca 0.12 -0.78 -0.02 0.00 -0.15 0.00 0.00 55.06 54.23 4gr1 s HIS 151 Cb 0.16 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.77 4gr1 s HIS 151 CO 0.52 -0.55 -0.09 0.42 -0.85 0.00 0.00 174.74 174.19 4gr1 s ILE 152 N 1.81 3.20 -0.24 0.60 1.01 0.08 -2.58 121.20 125.08 4gr1 s ILE 152 Ca 0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 4gr1 s ILE 152 Cb -0.15 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 4gr1 s ILE 152 CO -0.07 0.48 0.07 -0.22 0.00 0.00 0.00 174.94 175.20 4gr1 s LEU 153 N 0.85 3.54 -0.25 2.97 2.96 0.88 -1.36 118.68 128.28 4gr1 s LEU 153 Ca -0.03 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.59 4gr1 s LEU 153 Cb -0.15 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 4gr1 s LEU 153 CO 0.01 0.01 0.40 -0.63 -1.32 0.00 0.00 176.35 174.81 4gr1 s ILE 154 N 1.36 5.17 -0.32 6.68 1.01 0.28 0.06 121.20 135.44 4gr1 s ILE 154 Ca 0.05 0.65 0.18 0.00 0.00 0.00 0.00 60.65 61.53 4gr1 s ILE 154 Cb -0.15 -3.72 0.46 0.00 0.01 0.00 0.00 42.46 39.06 4gr1 s ILE 154 CO 0.04 0.18 1.00 0.00 0.00 0.00 0.00 174.94 176.16 4gr1 n ALA 155 N 5.11 3.16 1.75 9.38 0.00 0.14 -2.50 120.51 137.55 4gr1 n ALA 155 Ca -0.08 -2.92 0.10 0.00 0.00 0.00 0.00 53.44 50.54 4gr1 n ALA 155 Cb 0.51 -0.94 0.50 0.00 0.00 0.00 0.00 19.45 19.52 4gr1 n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 4gr1 n THR 156 N -0.17 0.06 -4.92 0.00 -2.24 -1.20 -4.38 114.28 101.44 4gr1 n THR 156 Ca 0.08 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 4gr1 n THR 156 Cb 0.82 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 4gr1 n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4gr1 n GLY 157 N 0.90 1.01 0.00 3.38 0.00 -1.26 -4.64 105.19 104.59 4gr1 n GLY 157 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.51 4gr1 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gr1 n GLY 158 N 0.00 4.47 3.42 -0.02 0.00 -1.26 -1.21 105.19 110.59 4gr1 n GLY 158 Ca 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 4gr1 n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 4gr1 s MET 159 N -1.43 1.25 0.21 1.61 -1.94 0.19 -4.75 119.30 114.45 4gr1 s MET 159 Ca 0.00 -1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 52.66 4gr1 s MET 159 Cb 0.00 0.44 -0.09 0.00 2.01 0.00 0.00 34.83 37.20 4gr1 s MET 159 CO 0.00 -0.49 1.29 -2.14 -0.01 0.00 0.00 175.02 173.66 4gr1 s PRO 160 N -3.92 4.41 0.09 2.03 0.02 -1.26 0.15 135.00 136.52 4gr1 s PRO 160 Ca 0.13 2.03 -0.25 0.00 0.02 0.00 0.00 61.00 62.92 4gr1 s PRO 160 Cb 0.01 -3.19 -0.06 0.00 0.02 0.00 0.00 34.50 31.28 4gr1 s PRO 160 CO -0.02 -0.21 0.78 0.45 -0.33 0.00 0.00 177.00 177.67 4gr1 s SER 161 N 0.23 7.29 0.11 2.53 0.15 -0.44 -4.66 113.70 118.91 4gr1 s SER 161 Ca 0.55 1.53 0.08 0.00 0.70 0.00 0.00 55.95 58.82 4gr1 s SER 161 Cb -0.36 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.43 4gr1 s SER 161 CO 0.39 0.08 -0.20 0.42 1.20 0.00 0.00 173.24 175.13 4gr1 s THR 162 N -0.44 1.69 0.51 6.45 -4.23 -1.26 -4.58 115.64 113.78 4gr1 s THR 162 Ca 0.38 -1.56 -0.19 0.00 -1.18 0.00 0.00 61.69 59.14 4gr1 s THR 162 Cb -0.22 -1.55 -0.07 0.00 1.34 0.00 0.00 72.50 72.00 4gr1 s THR 162 CO 0.24 -0.09 1.04 -2.84 -0.54 0.00 0.00 174.62 172.43 4gr1 s PRO 163 N -1.97 3.70 0.03 3.99 0.02 -1.26 -5.01 135.00 134.51 4gr1 s PRO 163 Ca 0.07 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 4gr1 s PRO 163 Cb -0.10 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 4gr1 s PRO 163 CO 0.04 -0.50 1.09 -1.01 -0.33 0.00 0.00 177.00 176.29 4gr1 s HIS 164 N -2.13 3.55 0.50 6.54 3.76 -1.26 -4.67 115.29 121.59 4gr1 s HIS 164 Ca 0.66 1.50 0.28 0.00 -0.15 0.00 0.00 55.06 57.35 4gr1 s HIS 164 Cb -0.16 -3.27 1.38 0.00 1.11 0.00 0.00 32.58 31.64 4gr1 s HIS 164 CO 0.24 -0.65 1.88 1.49 -0.85 0.00 0.00 174.74 176.85 4gr1 h GLU 165 N 6.75 0.10 0.00 1.40 4.57 -1.96 0.52 114.58 125.97 4gr1 h GLU 165 Ca -0.41 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 4gr1 h GLU 165 Cb 1.22 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 4gr1 h GLU 165 CO 0.78 0.07 -0.10 0.66 -1.18 0.00 0.00 179.01 179.23 4gr1 h SER 166 N 0.11 0.00 0.00 1.04 4.64 -2.00 -3.03 113.55 114.31 4gr1 h SER 166 Ca 0.45 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.45 4gr1 h SER 166 Cb 1.59 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.62 4gr1 h SER 166 CO -0.06 0.10 -2.32 0.00 -0.87 0.00 0.00 176.83 173.69 4gr1 n GLN 167 N -4.36 0.73 -3.49 4.77 10.64 0.16 -4.78 117.38 121.04 4gr1 n GLN 167 Ca -0.03 -0.03 -0.26 0.00 -1.83 0.00 0.00 57.00 54.85 4gr1 n GLN 167 Cb 0.18 -1.51 -0.13 0.00 -0.86 0.00 0.00 30.24 27.92 4gr1 n GLN 167 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 4gr1 s ILE 168 N -2.61 -0.12 0.31 -0.39 1.01 0.00 -4.96 121.20 114.44 4gr1 s ILE 168 Ca -0.10 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 4gr1 s ILE 168 Cb 0.07 -0.99 -0.11 0.00 0.01 0.00 0.00 42.46 41.44 4gr1 s ILE 168 CO 0.83 -0.71 1.49 -2.84 0.00 0.00 0.00 174.94 173.71 4gr1 s PRO 169 N 1.98 4.18 -0.08 2.79 0.02 -1.15 -1.71 135.00 141.02 4gr1 s PRO 169 Ca 0.11 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.60 4gr1 s PRO 169 Cb -0.17 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.32 4gr1 s PRO 169 CO -0.29 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 4gr1 n GLY 170 N 1.49 0.48 0.30 0.52 0.00 -1.25 -0.66 105.19 106.07 4gr1 n GLY 170 Ca 0.05 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.66 4gr1 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gr1 h ALA 171 N 0.00 2.13 0.00 4.61 0.00 -1.62 -2.26 119.26 122.12 4gr1 h ALA 171 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 4gr1 h ALA 171 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 4gr1 h ALA 171 CO 0.02 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 4gr1 n SER 172 N -4.49 0.00 -0.00 0.00 3.41 -1.26 -1.69 113.62 109.59 4gr1 n SER 172 Ca 0.01 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 4gr1 n SER 172 Cb 0.24 -0.19 0.38 0.00 -0.26 0.00 0.00 64.21 64.39 4gr1 n SER 172 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 4gr1 n LEU 173 N -1.19 0.33 -5.00 1.04 4.77 -0.85 -4.85 117.00 111.26 4gr1 n LEU 173 Ca 0.09 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 56.06 4gr1 n LEU 173 Cb 0.10 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 4gr1 n LEU 173 CO 0.10 0.08 0.10 -0.83 -1.33 0.00 0.00 177.39 175.52 4gr1 s GLY 174 N -3.00 1.73 0.49 -0.72 0.00 -0.68 -4.72 107.32 100.42 4gr1 s GLY 174 Ca 0.12 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.36 4gr1 s GLY 174 CO 0.64 -1.41 0.23 -0.26 0.00 0.00 0.00 173.10 172.30 4gr1 s ILE 175 N -2.25 1.78 0.10 0.90 -4.36 0.75 -4.93 121.20 113.19 4gr1 s ILE 175 Ca 0.49 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 4gr1 s ILE 175 Cb -0.10 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.15 4gr1 s ILE 175 CO 0.32 0.00 0.01 0.35 0.24 0.00 0.00 174.94 175.86 4gr1 n THR 176 N -1.45 0.00 0.17 8.37 -2.24 -1.26 -0.93 114.28 116.93 4gr1 n THR 176 Ca -0.06 -0.45 0.10 0.00 -2.27 0.00 0.00 64.05 61.38 4gr1 n THR 176 Cb 0.65 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.51 4gr1 n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 4gr1 h SER 177 N 0.21 0.06 0.04 3.42 4.64 -1.97 -1.27 113.55 118.68 4gr1 h SER 177 Ca -0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 4gr1 h SER 177 Cb 0.24 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 4gr1 h SER 177 CO 0.13 0.04 -0.03 0.44 -0.87 0.00 0.00 176.83 176.54 4gr1 h ASP 178 N 0.07 -0.09 0.24 4.97 5.19 -1.95 -2.13 116.42 122.73 4gr1 h ASP 178 Ca 0.08 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 4gr1 h ASP 178 Cb 0.22 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 4gr1 h ASP 178 CO -0.01 -0.06 -0.22 1.23 -3.12 0.00 0.00 179.24 177.06 4gr1 h GLY 179 N -0.08 0.00 1.94 2.75 0.00 -1.63 -2.54 103.07 103.51 4gr1 h GLY 179 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 4gr1 h GLY 179 CO -0.01 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.77 4gr1 h PHE 180 N 0.00 0.07 -0.00 5.60 3.04 -0.64 -1.79 116.94 123.22 4gr1 h PHE 180 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 4gr1 h PHE 180 Cb 0.41 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.89 4gr1 h PHE 180 CO 0.00 0.09 -0.30 1.19 -2.02 0.00 0.00 178.31 177.28 4gr1 n PHE 181 N -4.47 0.00 0.87 0.41 3.72 -0.96 -2.68 117.46 114.35 4gr1 n PHE 181 Ca -0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.48 4gr1 n PHE 181 Cb 0.13 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.29 4gr1 n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 4gr1 n GLN 182 N -1.39 0.08 -1.80 -1.08 6.02 -0.70 -5.00 117.38 113.51 4gr1 n GLN 182 Ca 0.07 -0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.65 4gr1 n GLN 182 Cb 0.33 -1.51 0.03 0.00 1.02 0.00 0.00 30.24 30.11 4gr1 n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 4gr1 s LEU 183 N -3.21 4.02 -0.07 1.08 1.43 -1.05 -4.91 118.68 115.96 4gr1 s LEU 183 Ca 0.07 2.86 0.14 0.00 -1.03 0.00 0.00 54.13 56.17 4gr1 s LEU 183 Cb 0.16 -4.06 -0.21 0.00 0.03 0.00 0.00 46.19 42.11 4gr1 s LEU 183 CO 0.85 -1.32 0.21 -0.62 0.23 0.00 0.00 176.35 175.70 4gr1 n GLU 184 N -0.50 0.98 -4.43 1.70 1.02 -1.26 -5.00 120.64 113.16 4gr1 n GLU 184 Ca 0.07 -0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 4gr1 n GLU 184 Cb 0.43 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 4gr1 n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 4gr1 s GLU 185 N -2.76 1.55 -0.27 3.49 0.41 -1.26 -4.18 118.70 115.68 4gr1 s GLU 185 Ca -0.06 -1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 52.47 4gr1 s GLU 185 Cb 0.07 -1.41 0.01 0.00 -1.78 0.00 0.00 34.13 31.03 4gr1 s GLU 185 CO 0.62 0.19 1.12 -1.17 -0.49 0.00 0.00 175.26 175.53 4gr1 s LEU 186 N -3.44 4.01 0.27 1.80 2.96 -1.26 -4.99 118.68 118.02 4gr1 s LEU 186 Ca 0.28 1.25 -0.31 0.00 -0.22 0.00 0.00 54.13 55.13 4gr1 s LEU 186 Cb -0.01 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.02 4gr1 s LEU 186 CO 0.12 -0.83 1.61 -0.81 -1.32 0.00 0.00 176.35 175.12 4gr1 n PRO 187 N 6.73 2.65 -0.02 0.98 -0.04 -1.26 -4.92 135.00 139.11 4gr1 n PRO 187 Ca 0.13 0.95 -0.09 0.00 -0.04 0.00 0.00 63.50 64.44 4gr1 n PRO 187 Cb 0.46 -2.73 0.07 0.00 -0.04 0.00 0.00 33.50 31.26 4gr1 n PRO 187 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 4gr1 h GLY 188 N 5.18 0.67 -6.42 0.55 0.00 -1.94 -3.41 103.07 97.71 4gr1 h GLY 188 Ca -0.46 -0.71 -0.38 0.00 0.00 0.00 0.00 47.33 45.78 4gr1 h GLY 188 CO 0.83 0.64 -0.76 -1.60 0.00 0.00 0.00 176.54 175.65 4gr1 s ARG 189 N -4.18 0.53 0.01 4.80 6.06 -1.26 -1.80 118.95 123.12 4gr1 s ARG 189 Ca -0.08 0.02 0.01 0.00 -2.50 0.00 0.00 55.73 53.18 4gr1 s ARG 189 Cb 0.12 -0.67 -0.01 0.00 0.06 0.00 0.00 34.95 34.45 4gr1 s ARG 189 CO 0.84 -0.13 -0.05 -1.54 -2.50 0.00 0.00 175.30 171.91 4gr1 s SER 190 N 1.10 0.58 -0.11 -2.12 1.04 -0.22 -1.19 113.70 112.78 4gr1 s SER 190 Ca -0.09 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.09 4gr1 s SER 190 Cb -0.14 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.99 4gr1 s SER 190 CO -0.01 -0.06 -0.10 -0.69 0.98 0.00 0.00 173.24 173.36 4gr1 s VAL 191 N -0.62 1.12 -0.14 5.02 1.01 0.37 -1.36 120.40 125.80 4gr1 s VAL 191 Ca -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 4gr1 s VAL 191 Cb -0.05 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 4gr1 s VAL 191 CO -0.00 0.38 -0.04 -0.63 0.00 0.00 0.00 175.10 174.80 4gr1 s ILE 192 N 1.45 3.84 -0.30 2.22 1.01 0.48 -0.82 121.20 129.08 4gr1 s ILE 192 Ca 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 4gr1 s ILE 192 Cb -0.13 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.69 4gr1 s ILE 192 CO -0.06 0.52 0.08 -0.69 0.00 0.00 0.00 174.94 174.78 4gr1 s VAL 193 N 0.11 3.84 0.00 2.92 1.01 -0.48 0.62 120.40 128.43 4gr1 s VAL 193 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.14 4gr1 s VAL 193 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.22 4gr1 s VAL 193 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 4gr1 n GLY 194 N 4.84 4.06 0.00 4.51 0.00 -0.77 -0.58 105.19 117.25 4gr1 n GLY 194 Ca -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.68 4gr1 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gr1 n ALA 195 N -1.65 2.03 -1.94 4.61 0.00 -1.26 -4.62 120.51 117.68 4gr1 n ALA 195 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 4gr1 n ALA 195 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 4gr1 n ALA 195 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 4gr1 s GLY 196 N -0.54 1.82 0.35 0.00 0.00 -1.26 0.17 107.32 107.86 4gr1 s GLY 196 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.38 4gr1 s GLY 196 CO 0.00 -0.55 1.98 0.10 0.00 0.00 0.00 173.10 174.63 4gr1 h TYR 197 N -1.70 0.70 -0.20 1.90 -0.00 -1.97 -0.77 116.97 114.93 4gr1 h TYR 197 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.28 4gr1 h TYR 197 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 37.71 4gr1 h TYR 197 CO -1.41 0.50 0.08 0.82 -0.00 0.00 0.00 178.16 178.14 4gr1 h ILE 198 N 0.73 1.16 0.06 -0.90 2.04 -1.94 0.14 117.51 118.81 4gr1 h ILE 198 Ca 0.19 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.58 4gr1 h ILE 198 Cb 0.03 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 4gr1 h ILE 198 CO -0.03 0.16 -0.30 0.00 0.00 0.00 0.00 178.15 177.98 4gr1 h ALA 199 N 0.92 -0.47 -0.47 1.87 0.00 -1.75 0.54 119.26 119.90 4gr1 h ALA 199 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 4gr1 h ALA 199 Cb 0.18 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 4gr1 h ALA 199 CO -0.01 -0.82 0.20 0.28 0.00 0.00 0.00 179.25 178.90 4gr1 h VAL 200 N -0.48 0.90 -0.05 0.00 2.07 -0.79 -0.27 116.25 117.63 4gr1 h VAL 200 Ca 0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 4gr1 h VAL 200 Cb 0.54 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 4gr1 h VAL 200 CO -0.21 0.07 0.00 -0.33 0.02 0.00 0.00 177.57 177.13 4gr1 h GLU 201 N 0.40 0.09 -0.29 1.57 5.08 -0.08 -1.98 114.58 119.37 4gr1 h GLU 201 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 4gr1 h GLU 201 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 4gr1 h GLU 201 CO -0.18 0.34 0.19 0.52 -1.00 0.00 0.00 179.01 178.88 4gr1 h MET 202 N -0.18 0.38 -0.93 2.33 0.00 0.27 -2.59 114.93 114.21 4gr1 h MET 202 Ca 0.02 -0.02 0.16 0.00 0.00 0.00 0.00 59.70 59.85 4gr1 h MET 202 Cb 0.30 -0.09 -0.10 0.00 0.00 0.00 0.00 31.60 31.72 4gr1 h MET 202 CO 0.00 0.26 0.53 0.00 0.00 0.00 0.00 176.91 177.70 4gr1 h ALA 203 N 1.10 1.45 -0.27 6.32 0.00 -0.93 -2.25 119.26 124.68 4gr1 h ALA 203 Ca 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 4gr1 h ALA 203 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 4gr1 h ALA 203 CO -0.02 -0.02 -0.27 0.78 0.00 0.00 0.00 179.25 179.72 4gr1 h GLY 204 N 0.74 0.57 0.49 0.00 0.00 -1.11 -1.92 103.07 101.84 4gr1 h GLY 204 Ca 0.51 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 4gr1 h GLY 204 CO -0.35 0.44 -0.23 -2.22 0.00 0.00 0.00 176.54 174.18 4gr1 h ILE 205 N 0.46 1.51 -0.66 2.60 2.04 -1.25 -2.99 117.51 119.22 4gr1 h ILE 205 Ca 0.06 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.10 4gr1 h ILE 205 Cb 0.71 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 4gr1 h ILE 205 CO 0.05 0.50 0.42 -0.07 0.00 0.00 0.00 178.15 179.05 4gr1 h LEU 206 N -0.44 0.78 0.43 1.44 3.38 -1.40 -2.26 115.31 117.24 4gr1 h LEU 206 Ca -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 4gr1 h LEU 206 Cb 0.94 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 4gr1 h LEU 206 CO 0.05 0.59 -0.21 -1.28 0.09 0.00 0.00 178.44 177.68 4gr1 h SER 207 N 0.90 -0.49 -0.56 -0.43 0.87 -1.47 0.97 113.55 113.34 4gr1 h SER 207 Ca 0.24 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 4gr1 h SER 207 Cb -0.06 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 4gr1 h SER 207 CO -0.05 -0.24 0.37 0.00 -0.53 0.00 0.00 176.83 176.38 4gr1 h ALA 208 N -0.21 1.75 -0.00 6.23 0.00 -1.49 -1.50 119.26 124.03 4gr1 h ALA 208 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 4gr1 h ALA 208 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 4gr1 h ALA 208 CO 0.10 0.18 -0.03 1.28 0.00 0.00 0.00 179.25 180.78 4gr1 n LEU 209 N -4.47 0.08 0.00 0.00 4.77 -0.86 -4.82 117.00 111.70 4gr1 n LEU 209 Ca 0.07 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 4gr1 n LEU 209 Cb 0.16 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 4gr1 n LEU 209 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 4gr1 n GLY 210 N 1.32 0.86 3.76 -0.72 0.00 -0.56 -4.85 105.19 104.99 4gr1 n GLY 210 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 4gr1 n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4gr1 s SER 211 N -1.89 7.15 -0.68 1.61 0.15 0.29 -4.95 113.70 115.37 4gr1 s SER 211 Ca 0.00 2.36 -0.27 0.00 0.70 0.00 0.00 55.95 58.74 4gr1 s SER 211 Cb 0.00 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 4gr1 s SER 211 CO 0.00 -0.25 1.21 -0.75 1.20 0.00 0.00 173.24 174.66 4gr1 s LYS 212 N -1.41 3.28 -0.08 5.44 2.20 -0.74 -4.24 119.74 124.19 4gr1 s LYS 212 Ca 0.46 -0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 4gr1 s LYS 212 Cb -0.34 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 31.82 4gr1 s LYS 212 CO 0.43 -1.96 -0.08 0.99 -0.36 0.00 0.00 175.35 174.37 4gr1 s THR 213 N 5.30 3.55 0.05 3.43 2.01 -1.26 -1.06 115.64 127.67 4gr1 s THR 213 Ca 0.36 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.92 4gr1 s THR 213 Cb -0.09 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 4gr1 s THR 213 CO 0.18 0.58 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.99 4gr1 s SER 214 N -0.60 3.13 -0.22 3.53 0.01 -0.47 -1.22 113.70 117.87 4gr1 s SER 214 Ca 0.09 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.76 4gr1 s SER 214 Cb -0.12 -0.27 0.05 0.00 0.21 0.00 0.00 66.02 65.89 4gr1 s SER 214 CO 0.02 0.24 -0.12 -0.22 0.41 0.00 0.00 173.24 173.57 4gr1 s LEU 215 N -1.32 2.76 -0.41 2.44 2.96 0.37 -0.39 118.68 125.09 4gr1 s LEU 215 Ca 0.12 -1.08 -0.17 0.00 -0.22 0.00 0.00 54.13 52.78 4gr1 s LEU 215 Cb -0.10 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.20 4gr1 s LEU 215 CO 0.02 -0.14 0.40 -0.32 -1.32 0.00 0.00 176.35 174.99 4gr1 s MET 216 N 1.25 3.11 -0.05 1.98 -2.45 0.20 -0.79 119.30 122.55 4gr1 s MET 216 Ca -0.04 -0.79 0.05 0.00 -1.25 0.00 0.00 55.69 53.67 4gr1 s MET 216 Cb -0.17 -3.96 -0.02 0.00 1.25 0.00 0.00 34.83 31.93 4gr1 s MET 216 CO -0.08 -0.80 -0.20 0.96 1.05 0.00 0.00 175.02 175.94 4gr1 s ILE 217 N 2.03 2.51 -1.00 10.11 -4.36 -1.04 -1.85 121.20 127.58 4gr1 s ILE 217 Ca 0.11 -0.92 0.19 0.00 -0.26 0.00 0.00 60.65 59.76 4gr1 s ILE 217 Cb -0.17 -1.94 0.16 0.00 1.25 0.00 0.00 42.46 41.76 4gr1 s ILE 217 CO 0.13 0.58 1.62 0.54 0.24 0.00 0.00 174.94 178.05 4gr1 n ARG 218 N 2.55 0.00 0.00 0.37 1.74 -1.25 -1.70 116.66 118.37 4gr1 n ARG 218 Ca -0.17 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 4gr1 n ARG 218 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 4gr1 n ARG 218 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 4gr1 n HIS 219 N -1.50 0.00 0.43 -1.55 8.25 -1.26 -3.96 115.22 115.63 4gr1 n HIS 219 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 4gr1 n HIS 219 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 4gr1 n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 4gr1 n ASP 220 N 0.00 0.69 -3.98 0.41 3.85 -1.26 -0.17 116.55 116.08 4gr1 n ASP 220 Ca 0.00 -0.84 -0.09 0.00 -0.71 0.00 0.00 54.79 53.15 4gr1 n ASP 220 Cb 0.00 0.82 -0.10 0.00 -1.35 0.00 0.00 41.12 40.49 4gr1 n ASP 220 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 4gr1 s LYS 221 N -1.68 0.54 0.42 0.11 1.02 -1.26 -4.97 119.74 113.92 4gr1 s LYS 221 Ca 0.05 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.20 4gr1 s LYS 221 Cb 0.07 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.58 4gr1 s LYS 221 CO 0.33 -0.12 0.63 0.14 -0.92 0.00 0.00 175.35 175.41 4gr1 s VAL 222 N -2.75 4.19 -1.38 3.17 -7.23 -1.26 -4.56 120.40 110.57 4gr1 s VAL 222 Ca -0.04 -0.56 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 4gr1 s VAL 222 Cb -0.00 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 33.43 4gr1 s VAL 222 CO -0.05 -0.35 0.84 0.18 -0.31 0.00 0.00 175.10 175.41 4gr1 n LEU 223 N -1.98 -2.97 0.09 1.32 4.77 0.13 -4.50 117.00 113.86 4gr1 n LEU 223 Ca 0.00 -0.78 0.08 0.00 -0.03 0.00 0.00 56.01 55.28 4gr1 n LEU 223 Cb 0.57 -2.67 0.39 0.00 -2.33 0.00 0.00 43.42 39.38 4gr1 n LEU 223 CO 0.47 0.44 0.75 0.54 -1.33 0.00 0.00 177.39 178.26 4gr1 n ARG 224 N -4.46 0.10 0.00 3.23 1.74 -1.26 -1.94 116.66 114.07 4gr1 n ARG 224 Ca -0.16 0.48 0.14 0.00 -0.77 0.00 0.00 57.85 57.53 4gr1 n ARG 224 Cb 0.62 -1.75 0.45 0.00 -1.02 0.00 0.00 32.46 30.75 4gr1 n ARG 224 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 4gr1 n SER 225 N -1.95 1.44 -4.92 0.55 3.41 -1.26 -4.90 113.62 105.99 4gr1 n SER 225 Ca 0.01 -1.34 -0.26 0.00 -0.26 0.00 0.00 58.87 57.01 4gr1 n SER 225 Cb 0.11 0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 4gr1 n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 4gr1 s PHE 226 N -2.16 3.13 0.54 7.33 0.40 -0.82 -5.00 117.98 121.40 4gr1 s PHE 226 Ca 0.33 0.58 -0.21 0.00 -0.60 0.00 0.00 56.93 57.03 4gr1 s PHE 226 Cb 0.20 -2.91 -0.06 0.00 0.51 0.00 0.00 43.02 40.77 4gr1 s PHE 226 CO 0.39 -1.04 1.20 -3.47 0.70 0.00 0.00 175.22 173.01 4gr1 n ASP 227 N -2.71 1.98 0.22 1.36 2.03 -1.26 -4.68 116.55 113.48 4gr1 n ASP 227 Ca 0.06 0.94 0.15 0.00 0.52 0.00 0.00 54.79 56.47 4gr1 n ASP 227 Cb 0.59 -1.49 0.71 0.00 -0.72 0.00 0.00 41.12 40.20 4gr1 n ASP 227 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 4gr1 h SER 228 N 1.22 0.00 -0.03 1.67 4.64 -1.93 -1.69 113.55 117.42 4gr1 h SER 228 Ca -0.49 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 4gr1 h SER 228 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 4gr1 h SER 228 CO 0.55 0.00 -0.44 -0.03 -0.87 0.00 0.00 176.83 176.04 4gr1 h MET 229 N 0.00 0.57 0.06 4.77 -1.53 -2.00 -2.36 114.93 114.45 4gr1 h MET 229 Ca 0.00 -0.31 -0.25 0.00 -3.44 0.00 0.00 59.70 55.70 4gr1 h MET 229 Cb 0.25 0.02 0.02 0.00 -0.55 0.00 0.00 31.60 31.33 4gr1 h MET 229 CO 0.00 0.91 -1.03 0.82 0.14 0.00 0.00 176.91 177.75 4gr1 h ILE 230 N 0.46 1.33 -0.12 1.77 1.08 -1.66 -1.75 117.51 118.62 4gr1 h ILE 230 Ca 0.03 -2.33 -0.07 0.00 -0.39 0.00 0.00 64.86 62.11 4gr1 h ILE 230 Cb 0.96 2.63 -0.01 0.00 -3.07 0.00 0.00 36.82 37.33 4gr1 h ILE 230 CO 0.09 0.70 -0.24 0.77 -0.69 0.00 0.00 178.15 178.78 4gr1 h SER 231 N 0.18 0.20 -0.01 1.72 4.64 -1.40 0.16 113.55 119.04 4gr1 h SER 231 Ca -0.15 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 4gr1 h SER 231 Cb 1.71 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 4gr1 h SER 231 CO 0.20 0.45 -0.04 0.74 -0.87 0.00 0.00 176.83 177.31 4gr1 h THR 232 N 0.19 1.48 -0.59 2.95 2.02 -1.44 -2.24 112.91 115.28 4gr1 h THR 232 Ca 0.03 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 65.66 4gr1 h THR 232 Cb 0.53 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 4gr1 h THR 232 CO 0.04 0.39 0.08 -1.13 0.37 0.00 0.00 175.52 175.27 4gr1 h ASN 233 N -0.55 0.91 -0.39 4.18 -1.24 -1.23 -2.39 115.58 114.87 4gr1 h ASN 233 Ca -0.00 -0.21 -0.07 0.00 0.71 0.00 0.00 56.30 56.73 4gr1 h ASN 233 Cb 0.66 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 4gr1 h ASN 233 CO 0.01 0.92 0.01 0.00 -1.29 0.00 0.00 177.43 177.08 4gr1 h THR 235 N 0.72 1.30 -0.26 0.00 2.02 -1.02 -2.16 112.91 113.52 4gr1 h THR 235 Ca 0.14 -1.54 -0.11 0.00 0.77 0.00 0.00 66.41 65.67 4gr1 h THR 235 Cb 0.43 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 4gr1 h THR 235 CO 0.02 0.48 -0.27 -0.33 0.37 0.00 0.00 175.52 175.79 4gr1 h GLU 236 N 0.39 0.63 -0.32 6.66 5.08 -1.15 -2.78 114.58 123.09 4gr1 h GLU 236 Ca 0.04 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 4gr1 h GLU 236 Cb 0.86 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 4gr1 h GLU 236 CO 0.07 0.94 -0.14 0.93 -1.00 0.00 0.00 179.01 179.81 4gr1 h GLU 237 N 0.35 0.56 -0.61 2.33 4.39 -1.22 0.13 114.58 120.52 4gr1 h GLU 237 Ca 0.04 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.57 4gr1 h GLU 237 Cb 0.83 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 4gr1 h GLU 237 CO 0.07 0.69 0.39 -0.07 -1.16 0.00 0.00 179.01 178.93 4gr1 h LEU 238 N 0.52 0.67 -0.35 1.33 3.38 -1.30 -1.71 115.31 117.85 4gr1 h LEU 238 Ca 0.09 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 4gr1 h LEU 238 Cb 0.55 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 4gr1 h LEU 238 CO 0.03 0.48 -0.33 -0.33 0.09 0.00 0.00 178.44 178.39 4gr1 h GLU 239 N 0.80 0.84 0.00 1.13 5.08 -0.92 -2.00 114.58 119.51 4gr1 h GLU 239 Ca 0.23 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 4gr1 h GLU 239 Cb -0.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 4gr1 h GLU 239 CO -0.06 1.08 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.06 4gr1 h ASN 240 N 0.64 0.00 -0.26 1.42 2.35 -0.76 -2.15 115.58 116.81 4gr1 h ASN 240 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 4gr1 h ASN 240 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 4gr1 h ASN 240 CO 0.08 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.92 4gr1 n ALA 241 N -2.15 2.48 -0.16 -0.83 0.00 -0.67 -4.95 120.51 114.22 4gr1 n ALA 241 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.71 4gr1 n ALA 241 Cb 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.70 4gr1 n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4gr1 n GLY 242 N 1.28 0.81 3.72 0.00 0.00 -0.81 -4.85 105.19 105.35 4gr1 n GLY 242 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 4gr1 n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4gr1 s VAL 243 N -2.10 5.05 -0.45 1.61 1.01 -0.79 -4.72 120.40 120.01 4gr1 s VAL 243 Ca 0.00 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 4gr1 s VAL 243 Cb 0.00 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.40 4gr1 s VAL 243 CO 0.00 0.27 0.71 -0.70 0.00 0.00 0.00 175.10 175.38 4gr1 s GLU 244 N 0.70 3.31 -0.40 2.72 2.12 -0.36 -4.21 118.70 122.59 4gr1 s GLU 244 Ca 0.36 -0.31 -0.22 0.00 0.36 0.00 0.00 54.97 55.16 4gr1 s GLU 244 Cb -0.17 -3.96 0.01 0.00 0.26 0.00 0.00 34.13 30.27 4gr1 s GLU 244 CO 0.17 -1.08 0.70 0.08 -0.54 0.00 0.00 175.26 174.58 4gr1 s VAL 245 N 3.03 4.79 -0.71 3.70 1.01 -1.26 -0.48 120.40 130.48 4gr1 s VAL 245 Ca 0.25 0.50 -0.23 0.00 0.00 0.00 0.00 61.98 62.50 4gr1 s VAL 245 Cb -0.14 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.13 4gr1 s VAL 245 CO 0.20 -0.49 1.05 -0.76 0.00 0.00 0.00 175.10 175.10 4gr1 s LEU 246 N 2.94 4.22 0.58 3.92 1.43 0.03 -4.96 118.68 126.83 4gr1 s LEU 246 Ca 0.26 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 4gr1 s LEU 246 Cb -0.14 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 4gr1 s LEU 246 CO 0.18 -1.47 1.03 -0.54 0.23 0.00 0.00 176.35 175.78 4gr1 s LYS 247 N 4.24 3.51 -1.02 1.70 1.02 -1.26 -2.51 119.74 125.42 4gr1 s LYS 247 Ca 0.26 1.08 -0.06 0.00 0.02 0.00 0.00 55.97 57.27 4gr1 s LYS 247 Cb -0.14 -2.07 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 4gr1 s LYS 247 CO 0.08 -0.64 0.27 1.19 -0.92 0.00 0.00 175.35 175.33 4gr1 n PHE 248 N -2.01 -1.69 -4.29 3.18 3.01 0.76 -4.71 117.46 111.71 4gr1 n PHE 248 Ca 0.08 0.27 -0.24 0.00 1.01 0.00 0.00 57.45 58.57 4gr1 n PHE 248 Cb 0.53 -2.44 -0.08 0.00 -0.01 0.00 0.00 39.48 37.49 4gr1 n PHE 248 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 4gr1 s SER 249 N -2.44 4.48 0.05 4.37 0.01 -0.83 -1.14 113.70 118.20 4gr1 s SER 249 Ca 0.25 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.71 4gr1 s SER 249 Cb -0.13 -0.83 0.04 0.00 0.21 0.00 0.00 66.02 65.31 4gr1 s SER 249 CO 0.31 0.04 0.44 0.00 0.41 0.00 0.00 173.24 174.44 4gr1 s GLN 250 N -3.38 0.96 0.08 12.44 -2.07 -0.72 -3.76 119.66 123.22 4gr1 s GLN 250 Ca 0.29 -0.34 -0.25 0.00 -1.82 0.00 0.00 55.36 53.25 4gr1 s GLN 250 Cb -0.07 0.43 -0.06 0.00 -1.09 0.00 0.00 33.01 32.22 4gr1 s GLN 250 CO 0.19 -0.34 0.76 0.08 -1.32 0.00 0.00 175.29 174.66 4gr1 s VAL 251 N -2.51 4.63 -0.13 3.63 1.01 -1.26 -1.61 120.40 124.16 4gr1 s VAL 251 Ca -0.05 1.63 0.10 0.00 0.00 0.00 0.00 61.98 63.66 4gr1 s VAL 251 Cb -0.01 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 4gr1 s VAL 251 CO -0.02 0.42 0.03 1.17 0.00 0.00 0.00 175.10 176.69 4gr1 n LYS 252 N 2.41 1.85 -3.58 2.72 4.81 0.40 -4.91 118.16 121.86 4gr1 n LYS 252 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.32 4gr1 n LYS 252 Cb 0.50 -1.32 -0.05 0.00 0.02 0.00 0.00 35.03 34.18 4gr1 n LYS 252 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 4gr1 s GLU 253 N -2.30 0.51 -0.04 1.64 -1.05 -1.12 -4.31 118.70 112.03 4gr1 s GLU 253 Ca -0.07 0.07 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 4gr1 s GLU 253 Cb 0.04 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 4gr1 s GLU 253 CO 0.50 -0.17 -0.19 0.08 0.95 0.00 0.00 175.26 176.44 4gr1 s VAL 254 N -1.32 1.53 0.00 1.83 1.01 0.16 -0.87 120.40 122.75 4gr1 s VAL 254 Ca 0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 4gr1 s VAL 254 Cb -0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 4gr1 s VAL 254 CO -0.01 0.44 0.03 -1.59 0.00 0.00 0.00 175.10 173.96 4gr1 s LYS 255 N -0.06 0.25 -0.49 2.72 -2.85 -0.34 -3.92 119.74 115.06 4gr1 s LYS 255 Ca -0.02 -0.33 -0.25 0.00 -1.00 0.00 0.00 55.97 54.37 4gr1 s LYS 255 Cb -0.11 0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.79 4gr1 s LYS 255 CO 0.02 -0.05 0.91 0.21 0.10 0.00 0.00 175.35 176.55 4gr1 s LYS 256 N -0.91 3.46 0.51 1.78 2.47 -1.26 0.26 119.74 126.04 4gr1 s LYS 256 Ca -0.10 0.00 0.08 0.00 -1.56 0.00 0.00 55.97 54.39 4gr1 s LYS 256 Cb -0.06 -3.97 0.08 0.00 -1.46 0.00 0.00 37.83 32.42 4gr1 s LYS 256 CO -0.00 -1.29 0.63 0.25 0.16 0.00 0.00 175.35 175.10 4gr1 n THR 257 N 6.32 0.00 0.27 3.43 -2.24 -0.34 -4.95 114.28 116.77 4gr1 n THR 257 Ca 0.04 -1.79 0.10 0.00 -2.27 0.00 0.00 64.05 60.14 4gr1 n THR 257 Cb 0.48 -0.44 0.73 0.00 -2.10 0.00 0.00 70.33 69.00 4gr1 n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 4gr1 h LEU 258 N 0.00 0.00 -5.84 3.22 3.38 -1.98 -3.26 115.31 110.83 4gr1 h LEU 258 Ca -0.26 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.22 4gr1 h LEU 258 Cb 1.12 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.53 4gr1 h LEU 258 CO 0.38 0.01 -0.97 -1.20 0.09 0.00 0.00 178.44 176.75 4gr1 n SER 259 N -4.26 -0.54 0.00 -0.43 7.64 -1.26 -5.10 113.62 109.66 4gr1 n SER 259 Ca -0.03 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.09 4gr1 n SER 259 Cb 0.10 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 4gr1 n SER 259 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4gr1 n GLY 260 N 1.66 0.20 3.54 0.23 0.00 -1.23 -4.38 105.19 105.22 4gr1 n GLY 260 Ca 0.20 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 4gr1 n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4gr1 s LEU 261 N 0.00 2.85 -0.16 0.99 1.43 0.82 -1.20 118.68 123.41 4gr1 s LEU 261 Ca 0.00 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 4gr1 s LEU 261 Cb 0.00 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.83 4gr1 s LEU 261 CO 0.00 0.05 -0.09 -0.70 0.23 0.00 0.00 176.35 175.84 4gr1 s GLU 262 N -3.32 1.84 -0.22 1.70 2.12 0.14 -0.04 118.70 120.91 4gr1 s GLU 262 Ca 0.28 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 54.99 4gr1 s GLU 262 Cb -0.07 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 4gr1 s GLU 262 CO 0.16 -0.33 0.11 0.08 -0.54 0.00 0.00 175.26 174.73 4gr1 s VAL 263 N 1.56 4.97 -0.24 3.70 1.01 0.36 -1.20 120.40 130.56 4gr1 s VAL 263 Ca 0.03 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 4gr1 s VAL 263 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 4gr1 s VAL 263 CO -0.09 0.39 0.14 -0.44 0.00 0.00 0.00 175.10 175.11 4gr1 s SER 264 N 0.86 5.93 0.07 3.32 0.01 -0.05 0.21 113.70 124.05 4gr1 s SER 264 Ca 0.05 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.42 4gr1 s SER 264 Cb -0.13 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 4gr1 s SER 264 CO 0.03 0.05 -0.14 0.00 0.41 0.00 0.00 173.24 173.59 4gr1 s MET 265 N 1.14 0.80 -0.19 12.44 0.23 0.23 -0.46 119.30 133.50 4gr1 s MET 265 Ca 0.07 -0.95 -0.07 0.00 -1.03 0.00 0.00 55.69 53.70 4gr1 s MET 265 Cb -0.14 -0.79 -0.04 0.00 -1.53 0.00 0.00 34.83 32.33 4gr1 s MET 265 CO 0.05 0.17 0.07 0.08 -2.03 0.00 0.00 175.02 173.36 4gr1 s VAL 266 N -1.31 4.73 -0.20 5.16 1.01 -0.64 -0.27 120.40 128.88 4gr1 s VAL 266 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 4gr1 s VAL 266 Cb -0.10 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 4gr1 s VAL 266 CO 0.02 0.44 -0.04 -0.89 0.00 0.00 0.00 175.10 174.63 4gr1 s THR 267 N 0.58 3.51 -0.57 3.92 2.01 0.32 -1.75 115.64 123.67 4gr1 s THR 267 Ca 0.03 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.64 4gr1 s THR 267 Cb -0.13 -2.58 0.23 0.00 0.01 0.00 0.00 72.50 70.03 4gr1 s THR 267 CO 0.01 0.44 0.60 0.00 -0.69 0.00 0.00 174.62 174.98 4gr1 n ALA 268 N 4.50 3.41 -1.91 7.40 0.00 -0.29 -1.56 120.51 132.05 4gr1 n ALA 268 Ca -0.18 -4.21 -0.41 0.00 0.00 0.00 0.00 53.44 48.64 4gr1 n ALA 268 Cb 0.51 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 4gr1 n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 4gr1 s VAL 269 N -1.70 2.96 0.08 0.00 1.01 -1.26 -4.88 120.40 116.61 4gr1 s VAL 269 Ca 0.35 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 4gr1 s VAL 269 Cb 0.11 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 4gr1 s VAL 269 CO -0.09 0.14 1.11 -2.84 0.00 0.00 0.00 175.10 173.43 4gr1 s PRO 270 N -0.54 4.52 0.00 2.72 0.02 -1.26 -2.64 135.00 137.81 4gr1 s PRO 270 Ca 0.56 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.24 4gr1 s PRO 270 Cb -0.39 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 30.78 4gr1 s PRO 270 CO 0.42 -0.10 0.00 0.41 -0.33 0.00 0.00 177.00 177.41 4gr1 n GLY 271 N 2.78 1.45 3.38 0.52 0.00 -1.26 -5.07 105.19 106.99 4gr1 n GLY 271 Ca 0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 4gr1 n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 4gr1 s ARG 272 N -2.00 1.20 0.31 1.61 3.52 -1.08 -5.12 118.95 117.38 4gr1 s ARG 272 Ca 0.00 -0.56 -0.27 0.00 -0.13 0.00 0.00 55.73 54.76 4gr1 s ARG 272 Cb 0.00 0.54 -0.09 0.00 -1.56 0.00 0.00 34.95 33.84 4gr1 s ARG 272 CO 0.00 -0.50 0.99 -0.51 -0.81 0.00 0.00 175.30 174.46 4gr1 s LEU 273 N -2.77 4.42 0.50 -0.88 1.43 -1.26 -4.73 118.68 115.39 4gr1 s LEU 273 Ca 0.02 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 54.86 4gr1 s LEU 273 Cb 0.00 -3.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 4gr1 s LEU 273 CO -0.13 -0.09 1.28 -0.81 0.23 0.00 0.00 176.35 176.83 4gr1 n PRO 274 N 0.81 1.73 -4.24 1.29 -0.04 -1.26 -4.78 135.00 128.51 4gr1 n PRO 274 Ca 0.01 0.63 -0.18 0.00 -0.04 0.00 0.00 63.50 63.92 4gr1 n PRO 274 Cb 0.48 -2.45 -0.15 0.00 -0.04 0.00 0.00 33.50 31.34 4gr1 n PRO 274 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 4gr1 s VAL 275 N -1.27 0.56 -0.13 0.52 0.11 -0.60 -4.97 120.40 114.61 4gr1 s VAL 275 Ca 0.67 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 4gr1 s VAL 275 Cb -0.46 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 4gr1 s VAL 275 CO 0.53 0.18 0.08 -0.04 -3.33 0.00 0.00 175.10 172.53 4gr1 s MET 276 N 0.22 3.47 0.03 1.54 -1.94 -1.26 -0.52 119.30 120.84 4gr1 s MET 276 Ca -0.03 -0.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.72 4gr1 s MET 276 Cb -0.07 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 4gr1 s MET 276 CO -0.00 0.62 -0.09 0.99 -0.01 0.00 0.00 175.02 176.53 4gr1 s THR 277 N -0.61 0.69 -0.13 2.05 2.01 0.63 -4.96 115.64 115.32 4gr1 s THR 277 Ca 0.12 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 4gr1 s THR 277 Cb -0.12 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 4gr1 s THR 277 CO 0.02 -0.11 0.08 -0.04 -0.69 0.00 0.00 174.62 173.89 4gr1 s MET 278 N -1.01 3.46 -0.26 4.92 -1.94 -1.26 -0.60 119.30 122.61 4gr1 s MET 278 Ca -0.03 -0.26 -0.02 0.00 -1.71 0.00 0.00 55.69 53.67 4gr1 s MET 278 Cb -0.07 -3.09 0.03 0.00 2.01 0.00 0.00 34.83 33.71 4gr1 s MET 278 CO 0.00 0.62 -0.04 0.42 -0.01 0.00 0.00 175.02 176.01 4gr1 s ILE 279 N -0.61 2.94 0.21 2.53 1.01 0.55 -4.94 121.20 122.89 4gr1 s ILE 279 Ca 0.12 -1.08 0.06 0.00 0.00 0.00 0.00 60.65 59.75 4gr1 s ILE 279 Cb -0.12 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 4gr1 s ILE 279 CO 0.02 0.13 0.14 -2.16 0.00 0.00 0.00 174.94 173.07 4gr1 s PRO 280 N 1.32 2.81 -0.95 2.79 0.04 -1.26 0.14 135.00 139.88 4gr1 s PRO 280 Ca -0.01 -1.02 -0.04 0.00 0.04 0.00 0.00 61.00 59.97 4gr1 s PRO 280 Cb -0.17 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.83 4gr1 s PRO 280 CO -0.04 0.44 0.82 -0.25 0.04 0.00 0.00 177.00 178.01 4gr1 n ASP 281 N -0.71 -4.13 -4.66 6.66 10.43 -0.69 -4.97 116.55 118.49 4gr1 n ASP 281 Ca -0.08 -0.41 -0.39 0.00 2.57 0.00 0.00 54.79 56.48 4gr1 n ASP 281 Cb 0.56 -3.81 -0.07 0.00 1.84 0.00 0.00 41.12 39.65 4gr1 n ASP 281 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 4gr1 s VAL 282 N -3.24 5.10 -0.05 2.53 1.01 0.94 -4.68 120.40 122.00 4gr1 s VAL 282 Ca 0.28 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 4gr1 s VAL 282 Cb -0.12 -3.85 -0.31 0.00 0.00 0.00 0.00 36.38 32.09 4gr1 s VAL 282 CO 0.53 0.17 0.77 0.44 0.00 0.00 0.00 175.10 177.01 4gr1 h ASP 283 N 7.44 0.55 -3.20 3.32 3.45 -1.55 0.23 116.42 126.67 4gr1 h ASP 283 Ca -0.34 -0.91 -0.51 0.00 0.43 0.00 0.00 57.03 55.70 4gr1 h ASP 283 Cb 1.15 -0.18 -0.37 0.00 -0.56 0.00 0.00 39.33 39.37 4gr1 h ASP 283 CO 0.74 1.61 -0.79 0.00 -1.57 0.00 0.00 179.24 179.22 4gr1 s LEU 285 N 1.77 3.80 -0.23 0.00 2.96 -1.26 -0.48 118.68 125.24 4gr1 s LEU 285 Ca 0.05 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 4gr1 s LEU 285 Cb -0.13 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.70 4gr1 s LEU 285 CO -0.08 -0.17 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.45 4gr1 s LEU 286 N 1.53 2.86 -0.24 -0.68 0.20 0.00 -0.17 118.68 122.17 4gr1 s LEU 286 Ca 0.03 -0.88 -0.27 0.00 0.69 0.00 0.00 54.13 53.70 4gr1 s LEU 286 Cb -0.17 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 4gr1 s LEU 286 CO 0.03 -0.09 0.94 0.26 -0.29 0.00 0.00 176.35 177.20 4gr1 s TRP 287 N 1.27 3.31 -0.40 5.38 0.52 -0.11 -1.38 118.94 127.54 4gr1 s TRP 287 Ca 0.00 1.28 0.12 0.00 0.02 0.00 0.00 56.10 57.52 4gr1 s TRP 287 Cb -0.16 -3.19 0.40 0.00 -1.15 0.00 0.00 33.47 29.37 4gr1 s TRP 287 CO -0.07 -0.46 0.91 0.00 0.02 0.00 0.00 176.95 177.35 4gr1 n ALA 288 N 6.21 3.51 0.47 0.98 0.00 0.26 -4.29 120.51 127.64 4gr1 n ALA 288 Ca 0.09 -3.69 0.11 0.00 0.00 0.00 0.00 53.44 49.95 4gr1 n ALA 288 Cb 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 4gr1 n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 4gr1 n ILE 289 N -0.07 0.15 -0.98 0.00 -5.35 -1.25 -4.23 119.36 107.63 4gr1 n ILE 289 Ca 0.23 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 4gr1 n ILE 289 Cb 0.67 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 4gr1 n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 4gr1 n GLY 290 N 1.35 -2.37 3.13 3.28 0.00 -1.26 -5.01 105.19 104.31 4gr1 n GLY 290 Ca 0.01 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 4gr1 n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4gr1 s ARG 291 N -1.96 1.03 0.08 1.61 1.81 -1.26 -1.32 118.95 118.94 4gr1 s ARG 291 Ca 0.00 -0.64 0.07 0.00 -1.72 0.00 0.00 55.73 53.44 4gr1 s ARG 291 Cb 0.00 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 33.44 4gr1 s ARG 291 CO 0.00 0.27 -0.13 0.54 -0.68 0.00 0.00 175.30 175.30 4gr1 s VAL 292 N -0.60 3.18 0.41 3.52 0.11 0.40 -4.81 120.40 122.61 4gr1 s VAL 292 Ca 0.04 -1.23 -0.24 0.00 -2.93 0.00 0.00 61.98 57.62 4gr1 s VAL 292 Cb -0.07 -2.44 -0.09 0.00 -1.53 0.00 0.00 36.38 32.25 4gr1 s VAL 292 CO 0.00 0.19 1.04 -2.16 -3.33 0.00 0.00 175.10 170.85 4gr1 s PRO 293 N -1.93 4.14 -1.06 1.54 0.04 -1.26 -0.64 135.00 135.83 4gr1 s PRO 293 Ca 0.19 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 4gr1 s PRO 293 Cb -0.11 -2.49 0.21 0.00 0.04 0.00 0.00 34.50 32.15 4gr1 s PRO 293 CO 0.10 -0.16 1.15 1.21 0.04 0.00 0.00 177.00 179.34 4gr1 s ASN 294 N -1.63 7.02 0.00 6.66 3.84 -0.35 -4.50 114.94 125.98 4gr1 s ASN 294 Ca 0.59 -2.96 0.00 0.00 0.21 0.00 0.00 52.86 50.69 4gr1 s ASN 294 Cb -0.21 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 4gr1 s ASN 294 CO 0.26 -0.62 0.01 0.35 -2.79 0.00 0.00 177.10 174.31 4gr1 n THR 295 N 4.04 0.00 -0.16 -5.21 -2.24 -1.26 -4.75 114.28 104.70 4gr1 n THR 295 Ca 0.26 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.85 4gr1 n THR 295 Cb 0.44 1.03 0.06 0.00 -2.10 0.00 0.00 70.33 69.75 4gr1 n THR 295 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 4gr1 h LYS 296 N 0.00 0.36 -0.73 -0.78 3.11 -1.89 -2.67 116.57 113.96 4gr1 h LYS 296 Ca 0.00 -0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.66 4gr1 h LYS 296 Cb 0.01 -0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 31.07 4gr1 h LYS 296 CO 0.00 0.24 0.20 -0.25 -2.81 0.00 0.00 179.45 176.83 4gr1 n ASP 297 N -4.99 4.91 0.03 4.20 8.00 -1.26 -4.35 116.55 123.10 4gr1 n ASP 297 Ca 0.05 -3.08 0.12 0.00 0.71 0.00 0.00 54.79 52.58 4gr1 n ASP 297 Cb 0.19 -0.72 0.13 0.00 -0.02 0.00 0.00 41.12 40.69 4gr1 n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 4gr1 n LEU 298 N 0.06 0.62 -2.39 0.64 4.77 -1.01 -4.70 117.00 114.99 4gr1 n LEU 298 Ca 0.36 0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 4gr1 n LEU 298 Cb 1.30 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 42.25 4gr1 n LEU 298 CO 0.39 0.04 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.26 4gr1 n SER 299 N -1.88 -5.23 -0.25 -1.43 7.64 -1.26 -1.02 113.62 110.18 4gr1 n SER 299 Ca 0.03 -0.20 0.01 0.00 1.01 0.00 0.00 58.87 59.73 4gr1 n SER 299 Cb 0.41 -4.11 0.14 0.00 -1.01 0.00 0.00 64.21 59.63 4gr1 n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 4gr1 h LEU 300 N -0.96 0.46 -2.56 -3.43 3.38 -1.91 0.18 115.31 110.48 4gr1 h LEU 300 Ca -0.43 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.61 4gr1 h LEU 300 Cb 1.30 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 4gr1 h LEU 300 CO 0.46 0.26 0.13 -0.55 0.09 0.00 0.00 178.44 178.84 4gr1 h ASN 301 N 0.60 0.00 0.66 -0.43 -1.07 -1.89 0.18 115.58 113.64 4gr1 h ASN 301 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 4gr1 h ASN 301 Cb 0.37 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 4gr1 h ASN 301 CO -0.27 0.00 0.00 0.11 0.07 0.00 0.00 177.43 177.34 4gr1 h LYS 302 N 0.00 0.00 -0.00 4.14 1.57 -1.29 -2.10 116.57 118.88 4gr1 h LYS 302 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 4gr1 h LYS 302 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 4gr1 h LYS 302 CO -0.00 0.00 -0.32 1.28 -0.57 0.00 0.00 179.45 179.84 4gr1 n LEU 303 N -2.84 0.88 -0.90 2.94 4.77 0.53 -4.79 117.00 117.60 4gr1 n LEU 303 Ca -0.00 -0.65 -0.07 0.00 -0.03 0.00 0.00 56.01 55.26 4gr1 n LEU 303 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 4gr1 n LEU 303 CO 0.23 0.19 -0.06 0.61 -1.33 0.00 0.00 177.39 177.02 4gr1 n GLY 304 N 1.04 0.15 3.73 -0.72 0.00 -0.65 -4.98 105.19 103.76 4gr1 n GLY 304 Ca 0.03 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 4gr1 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4gr1 s ILE 305 N -2.47 3.36 0.17 -0.61 1.01 -1.08 -4.91 121.20 116.67 4gr1 s ILE 305 Ca 0.03 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 4gr1 s ILE 305 Cb -0.01 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 4gr1 s ILE 305 CO 0.04 0.15 1.14 -1.10 0.00 0.00 0.00 174.94 175.17 4gr1 s GLN 306 N 0.04 4.55 0.31 2.79 -0.21 -1.26 -4.70 119.66 121.18 4gr1 s GLN 306 Ca 0.57 1.78 0.04 0.00 0.02 0.00 0.00 55.36 57.76 4gr1 s GLN 306 Cb -0.35 -3.27 -0.06 0.00 1.00 0.00 0.00 33.01 30.33 4gr1 s GLN 306 CO 0.37 -0.00 0.04 0.95 -2.12 0.00 0.00 175.29 174.53 4gr1 s THR 307 N -0.10 1.20 0.35 -0.19 -4.23 -1.26 -1.64 115.64 109.78 4gr1 s THR 307 Ca 0.51 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 4gr1 s THR 307 Cb -0.30 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 70.88 4gr1 s THR 307 CO 0.35 -0.05 0.48 -0.90 -0.54 0.00 0.00 174.62 173.96 4gr1 n ASP 308 N -0.65 0.65 0.00 3.99 5.68 -0.39 -4.85 116.55 120.98 4gr1 n ASP 308 Ca -0.03 -1.55 0.11 0.00 -0.50 0.00 0.00 54.79 52.83 4gr1 n ASP 308 Cb 0.66 -0.31 0.58 0.00 -1.14 0.00 0.00 41.12 40.91 4gr1 n ASP 308 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 4gr1 n ASP 309 N -2.96 0.00 -0.51 -1.12 5.68 -1.26 -2.20 116.55 114.18 4gr1 n ASP 309 Ca 0.08 -0.13 0.13 0.00 -0.50 0.00 0.00 54.79 54.37 4gr1 n ASP 309 Cb 0.28 -0.25 0.26 0.00 -1.14 0.00 0.00 41.12 40.28 4gr1 n ASP 309 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 4gr1 n LYS 310 N -1.25 1.44 -0.06 0.11 4.76 -1.26 -4.92 118.16 116.99 4gr1 n LYS 310 Ca 0.12 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 4gr1 n LYS 310 Cb 0.17 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 4gr1 n LYS 310 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 4gr1 n GLY 311 N 1.32 0.70 3.77 0.72 0.00 -0.93 -4.49 105.19 106.28 4gr1 n GLY 311 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 4gr1 n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4gr1 s HIS 312 N -2.07 2.90 0.08 1.61 3.76 -1.26 -4.63 115.29 115.69 4gr1 s HIS 312 Ca 0.00 1.50 -0.25 0.00 -0.15 0.00 0.00 55.06 56.16 4gr1 s HIS 312 Cb 0.00 -3.49 -0.06 0.00 1.11 0.00 0.00 32.58 30.14 4gr1 s HIS 312 CO 0.00 -1.67 0.77 0.42 -0.85 0.00 0.00 174.74 173.42 4gr1 s ILE 313 N -1.40 4.62 -0.01 0.60 1.01 -0.92 -1.26 121.20 123.84 4gr1 s ILE 313 Ca 0.60 1.66 -0.18 0.00 0.00 0.00 0.00 60.65 62.73 4gr1 s ILE 313 Cb -0.33 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 4gr1 s ILE 313 CO 0.41 0.41 0.50 -0.63 0.00 0.00 0.00 174.94 175.62 4gr1 s ILE 314 N -0.37 4.97 0.26 2.92 -1.09 -0.65 -4.48 121.20 122.76 4gr1 s ILE 314 Ca 0.38 1.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.85 4gr1 s ILE 314 Cb -0.21 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 4gr1 s ILE 314 CO 0.24 0.49 0.16 0.68 -1.23 0.00 0.00 174.94 175.28 4gr1 s VAL 315 N -0.54 0.15 0.00 2.92 -7.23 -1.25 -4.39 120.40 110.06 4gr1 s VAL 315 Ca 0.27 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 4gr1 s VAL 315 Cb -0.17 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.25 4gr1 s VAL 315 CO 0.15 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.04 4gr1 n ASP 316 N -0.72 0.46 0.10 4.85 3.85 -0.15 -4.90 116.55 120.04 4gr1 n ASP 316 Ca 0.03 -0.97 0.10 0.00 -0.71 0.00 0.00 54.79 53.24 4gr1 n ASP 316 Cb 0.65 0.00 0.43 0.00 -1.35 0.00 0.00 41.12 40.85 4gr1 n ASP 316 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 4gr1 n GLU 317 N -0.74 0.13 -0.24 0.11 0.28 -1.26 -1.27 120.64 117.64 4gr1 n GLU 317 Ca 0.00 0.44 0.08 0.00 -0.16 0.00 0.00 57.16 57.51 4gr1 n GLU 317 Cb 0.00 -1.78 0.21 0.00 1.43 0.00 0.00 31.44 31.30 4gr1 n GLU 317 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 4gr1 n PHE 318 N -2.02 0.64 -1.04 -1.84 3.01 -1.26 -4.50 117.46 110.45 4gr1 n PHE 318 Ca 0.01 -0.49 -0.02 0.00 1.01 0.00 0.00 57.45 57.97 4gr1 n PHE 318 Cb 0.16 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 4gr1 n PHE 318 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 4gr1 n GLN 319 N 0.92 -0.30 -2.70 -1.08 1.13 -0.40 -4.97 117.38 109.98 4gr1 n GLN 319 Ca 0.16 0.31 -0.35 0.00 -1.94 0.00 0.00 57.00 55.19 4gr1 n GLN 319 Cb 0.49 -3.73 -0.06 0.00 0.11 0.00 0.00 30.24 27.06 4gr1 n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 4gr1 s ASN 320 N -2.40 6.86 0.60 1.08 0.01 -1.26 -2.43 114.94 117.39 4gr1 s ASN 320 Ca 0.00 1.84 -0.01 0.00 -0.71 0.00 0.00 52.86 53.98 4gr1 s ASN 320 Cb 0.00 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.16 4gr1 s ASN 320 CO 0.00 -0.41 0.43 0.35 -1.51 0.00 0.00 177.10 175.95 4gr1 n THR 321 N -0.34 0.00 0.84 1.60 -2.24 -0.86 -0.98 114.28 112.31 4gr1 n THR 321 Ca 0.06 -0.60 0.13 0.00 -2.27 0.00 0.00 64.05 61.36 4gr1 n THR 321 Cb 0.52 -1.28 0.38 0.00 -2.10 0.00 0.00 70.33 67.85 4gr1 n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 4gr1 n ASN 322 N -3.02 0.45 -4.72 3.42 6.94 -1.26 -4.73 115.26 112.33 4gr1 n ASN 322 Ca 0.07 0.22 -0.35 0.00 -0.02 0.00 0.00 54.58 54.49 4gr1 n ASN 322 Cb 0.24 -0.19 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 4gr1 n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 4gr1 s VAL 323 N -3.06 5.39 0.14 3.53 1.01 -1.26 -5.06 120.40 121.09 4gr1 s VAL 323 Ca 0.11 0.25 -0.33 0.00 0.00 0.00 0.00 61.98 62.00 4gr1 s VAL 323 Cb 0.16 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 4gr1 s VAL 323 CO 0.63 0.42 1.66 0.29 0.00 0.00 0.00 175.10 178.10 4gr1 n LYS 324 N 3.62 2.33 -1.53 2.72 5.02 -1.26 -2.98 118.16 126.07 4gr1 n LYS 324 Ca -0.15 0.84 -0.08 0.00 -2.02 0.00 0.00 58.31 56.90 4gr1 n LYS 324 Cb 0.52 -2.64 -0.02 0.00 -0.02 0.00 0.00 35.03 32.86 4gr1 n LYS 324 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 4gr1 n GLY 325 N 3.68 0.67 2.92 0.72 0.00 -1.26 -5.00 105.19 106.92 4gr1 n GLY 325 Ca 0.17 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 4gr1 n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4gr1 s ILE 326 N -2.32 1.14 0.35 -0.61 1.01 -1.16 -0.74 121.20 118.87 4gr1 s ILE 326 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.27 4gr1 s ILE 326 Cb 0.00 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 41.25 4gr1 s ILE 326 CO 0.00 0.34 0.06 -0.31 0.00 0.00 0.00 174.94 175.03 4gr1 s TYR 327 N 1.66 1.98 -0.17 3.97 1.51 -0.46 -2.02 117.35 123.81 4gr1 s TYR 327 Ca 0.04 -0.98 -0.14 0.00 -1.01 0.00 0.00 57.07 54.98 4gr1 s TYR 327 Cb -0.13 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.45 4gr1 s TYR 327 CO -0.09 0.01 0.45 0.00 -1.11 0.00 0.00 175.55 174.82 4gr1 s ALA 328 N -3.22 -1.13 0.06 3.71 0.00 -1.02 -0.55 121.76 119.59 4gr1 s ALA 328 Ca 0.33 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.70 4gr1 s ALA 328 Cb 0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 4gr1 s ALA 328 CO 0.15 -0.24 -0.04 0.14 0.00 0.00 0.00 175.76 175.77 4gr1 s VAL 329 N 0.64 0.34 0.00 0.00 -7.23 -1.04 -4.75 120.40 108.36 4gr1 s VAL 329 Ca -0.03 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 4gr1 s VAL 329 Cb -0.05 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.55 4gr1 s VAL 329 CO -0.04 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.49 4gr1 n GLY 330 N 0.34 -0.73 0.45 2.32 0.00 -1.26 -4.24 105.19 102.07 4gr1 n GLY 330 Ca -0.15 -1.16 0.27 0.00 0.00 0.00 0.00 46.02 44.98 4gr1 n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4gr1 h ASP 331 N 4.01 0.15 0.31 1.61 3.45 -1.89 -1.67 116.42 122.38 4gr1 h ASP 331 Ca 0.00 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 4gr1 h ASP 331 Cb 0.00 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 4gr1 h ASP 331 CO 0.00 0.05 -0.06 1.62 -1.57 0.00 0.00 179.24 179.27 4gr1 h VAL 332 N 0.14 0.39 0.00 -1.35 3.04 -1.74 0.76 116.25 117.49 4gr1 h VAL 332 Ca 0.48 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 4gr1 h VAL 332 Cb 1.64 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 4gr1 h VAL 332 CO -0.08 0.06 -0.73 0.00 -1.01 0.00 0.00 177.57 175.81 4gr1 n GLY 334 N 1.35 0.42 3.27 0.00 0.00 0.26 -4.70 105.19 105.79 4gr1 n GLY 334 Ca 0.03 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 4gr1 n GLY 334 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4gr1 s LYS 335 N -0.96 2.86 -0.75 1.61 -2.85 -1.26 -4.80 119.74 113.60 4gr1 s LYS 335 Ca 0.00 -0.86 -0.02 0.00 -1.00 0.00 0.00 55.97 54.09 4gr1 s LYS 335 Cb 0.00 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 4gr1 s LYS 335 CO 0.00 0.28 0.66 0.00 0.10 0.00 0.00 175.35 176.39 4gr1 n ALA 336 N 3.24 -2.63 -1.85 0.59 0.00 -1.26 -4.82 120.51 113.79 4gr1 n ALA 336 Ca -0.18 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 4gr1 n ALA 336 Cb 0.53 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 4gr1 n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 4gr1 n LEU 337 N -1.96 4.53 -3.96 0.00 4.77 -1.26 -4.77 117.00 114.34 4gr1 n LEU 337 Ca -0.11 -3.45 -0.09 0.00 -0.03 0.00 0.00 56.01 52.33 4gr1 n LEU 337 Cb 0.57 -1.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.02 4gr1 n LEU 337 CO 0.57 -0.39 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.19 4gr1 s LEU 338 N 4.89 2.03 0.05 2.23 1.43 -1.26 -5.07 118.68 122.99 4gr1 s LEU 338 Ca 0.58 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 4gr1 s LEU 338 Cb 0.08 0.32 -0.13 0.00 0.03 0.00 0.00 46.19 46.49 4gr1 s LEU 338 CO 0.07 -0.37 1.37 0.74 0.23 0.00 0.00 176.35 178.39 4gr1 h THR 339 N 4.29 1.33 0.00 5.49 2.02 -2.00 -2.75 112.91 121.29 4gr1 h THR 339 Ca -0.32 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 4gr1 h THR 339 Cb 1.20 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 4gr1 h THR 339 CO 0.44 0.38 -0.05 -0.65 0.37 0.00 0.00 175.52 176.01 4gr1 h PRO 340 N 0.06 0.00 0.06 6.66 0.11 -1.98 -1.84 132.00 135.06 4gr1 h PRO 340 Ca 0.03 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.93 4gr1 h PRO 340 Cb 0.67 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.80 4gr1 h PRO 340 CO 0.04 0.05 -0.84 0.28 -0.21 0.00 0.00 178.00 177.32 4gr1 h VAL 341 N 0.00 1.39 0.03 3.15 2.07 -1.82 -1.02 116.25 120.06 4gr1 h VAL 341 Ca -0.00 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.24 4gr1 h VAL 341 Cb 0.28 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 4gr1 h VAL 341 CO 0.01 0.67 -0.02 0.00 0.02 0.00 0.00 177.57 178.25 4gr1 h ALA 342 N 0.27 -0.04 0.17 1.67 0.00 -1.18 -0.21 119.26 119.94 4gr1 h ALA 342 Ca -0.12 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.79 4gr1 h ALA 342 Cb 1.56 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 4gr1 h ALA 342 CO 0.16 -0.52 -0.39 0.82 0.00 0.00 0.00 179.25 179.32 4gr1 h ILE 343 N -0.05 0.20 -0.89 0.00 2.04 -1.43 0.25 117.51 117.63 4gr1 h ILE 343 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 4gr1 h ILE 343 Cb 0.04 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 4gr1 h ILE 343 CO 0.01 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.74 4gr1 h ALA 344 N -0.16 1.15 -0.51 1.87 0.00 -0.96 -0.15 119.26 120.50 4gr1 h ALA 344 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 4gr1 h ALA 344 Cb 0.67 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 4gr1 h ALA 344 CO -0.20 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 4gr1 h ALA 345 N 1.34 0.88 -0.16 0.00 0.00 -0.72 -1.11 119.26 119.49 4gr1 h ALA 345 Ca 0.34 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 4gr1 h ALA 345 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 4gr1 h ALA 345 CO -0.09 0.64 -0.52 0.78 0.00 0.00 0.00 179.25 180.07 4gr1 h GLY 346 N 0.97 0.48 0.63 0.00 0.00 0.33 -2.38 103.07 103.09 4gr1 h GLY 346 Ca 0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 4gr1 h GLY 346 CO 0.04 0.48 -0.02 3.21 0.00 0.00 0.00 176.54 180.25 4gr1 h ARG 347 N 0.34 0.08 -0.19 4.80 3.08 -0.88 -2.25 114.38 119.38 4gr1 h ARG 347 Ca 0.01 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.04 4gr1 h ARG 347 Cb 1.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 4gr1 h ARG 347 CO 0.09 0.48 0.13 0.87 -1.07 0.00 0.00 179.97 180.46 4gr1 h LYS 348 N -0.31 0.19 -0.07 0.04 1.79 -1.18 -2.60 116.57 114.43 4gr1 h LYS 348 Ca 0.01 -0.01 -0.24 0.00 -2.18 0.00 0.00 60.65 58.22 4gr1 h LYS 348 Cb 0.45 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.07 4gr1 h LYS 348 CO 0.01 0.12 -0.92 1.25 -1.08 0.00 0.00 179.45 178.83 4gr1 h LEU 349 N 0.19 0.91 -0.58 2.94 5.85 -1.29 -2.27 115.31 121.07 4gr1 h LEU 349 Ca 0.08 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 4gr1 h LEU 349 Cb 0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 4gr1 h LEU 349 CO -0.01 1.46 0.31 0.00 -0.34 0.00 0.00 178.44 179.86 4gr1 h ALA 350 N 0.50 0.74 -0.82 1.25 0.00 -1.03 -1.62 119.26 118.28 4gr1 h ALA 350 Ca -0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.72 4gr1 h ALA 350 Cb 1.56 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 4gr1 h ALA 350 CO 0.18 0.27 0.53 0.45 0.00 0.00 0.00 179.25 180.68 4gr1 h HIS 351 N 0.78 1.04 -0.16 0.00 3.86 -1.42 -0.19 115.15 119.06 4gr1 h HIS 351 Ca 0.20 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 4gr1 h HIS 351 Cb 0.06 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 4gr1 h HIS 351 CO -0.01 0.66 0.08 -0.09 0.86 0.00 0.00 177.93 179.43 4gr1 h ARG 352 N 1.11 0.22 -0.07 2.45 2.43 -1.22 -0.80 114.38 118.50 4gr1 h ARG 352 Ca 0.30 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 4gr1 h ARG 352 Cb -0.11 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.41 4gr1 h ARG 352 CO -0.06 0.26 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.13 4gr1 h LEU 353 N 0.13 0.53 -0.82 3.80 3.38 -1.19 -3.20 115.31 117.94 4gr1 h LEU 353 Ca 0.05 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.36 4gr1 h LEU 353 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 4gr1 h LEU 353 CO -0.01 1.11 -0.36 0.49 0.09 0.00 0.00 178.44 179.76 4gr1 n PHE 354 N -4.29 0.00 -0.14 1.13 3.72 -0.09 -4.28 117.46 113.50 4gr1 n PHE 354 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 4gr1 n PHE 354 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 4gr1 n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 4gr1 n GLU 355 N -0.22 1.94 -1.71 -1.08 2.13 -0.32 -4.97 120.64 116.41 4gr1 n GLU 355 Ca 0.06 -1.19 -0.19 0.00 0.66 0.00 0.00 57.16 56.51 4gr1 n GLU 355 Cb 0.33 -0.93 -0.07 0.00 0.27 0.00 0.00 31.44 31.04 4gr1 n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 4gr1 n TYR 356 N -0.35 -0.27 -2.64 4.31 4.01 -1.13 -4.91 117.16 116.18 4gr1 n TYR 356 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 4gr1 n TYR 356 Cb 0.24 -3.37 -0.03 0.00 -0.31 0.00 0.00 39.34 35.88 4gr1 n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 4gr1 s LYS 357 N -3.88 3.58 0.43 -0.72 1.02 -1.17 -4.89 119.74 114.10 4gr1 s LYS 357 Ca 0.00 -1.23 0.30 0.00 0.02 0.00 0.00 55.97 55.05 4gr1 s LYS 357 Cb 0.00 -5.23 1.38 0.00 -0.52 0.00 0.00 37.83 33.46 4gr1 s LYS 357 CO 0.00 -2.11 1.89 1.05 -0.92 0.00 0.00 175.35 175.26 4gr1 h GLU 358 N 9.60 0.00 -0.02 1.68 4.11 -1.90 -1.27 114.58 126.78 4gr1 h GLU 358 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 4gr1 h GLU 358 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 4gr1 h GLU 358 CO 1.36 0.00 -0.08 -0.40 0.07 0.00 0.00 179.01 179.96 4gr1 n ASP 359 N -2.63 2.17 -4.59 3.06 5.75 -1.26 -4.87 116.55 114.17 4gr1 n ASP 359 Ca 0.00 -1.66 -0.42 0.00 -0.01 0.00 0.00 54.79 52.69 4gr1 n ASP 359 Cb 0.19 0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 4gr1 n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 4gr1 s SER 360 N -2.10 5.90 0.19 -1.12 0.15 -0.48 -4.95 113.70 111.29 4gr1 s SER 360 Ca 0.30 1.13 -0.21 0.00 0.70 0.00 0.00 55.95 57.87 4gr1 s SER 360 Cb 0.20 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 4gr1 s SER 360 CO 0.36 -1.74 0.60 -1.59 1.20 0.00 0.00 173.24 172.08 4gr1 s LYS 361 N 5.69 1.40 0.03 5.44 -2.85 -1.26 -4.61 119.74 123.58 4gr1 s LYS 361 Ca 0.76 -0.68 -0.24 0.00 -1.00 0.00 0.00 55.97 54.80 4gr1 s LYS 361 Cb -0.20 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 4gr1 s LYS 361 CO 0.32 -0.61 0.73 -1.17 0.10 0.00 0.00 175.35 174.71 4gr1 s LEU 362 N -2.82 4.44 -0.28 2.77 2.96 -1.26 -5.01 118.68 119.48 4gr1 s LEU 362 Ca 0.05 1.38 -0.23 0.00 -0.22 0.00 0.00 54.13 55.11 4gr1 s LEU 362 Cb -0.02 -3.16 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 4gr1 s LEU 362 CO -0.06 0.03 0.75 -0.62 -1.32 0.00 0.00 176.35 175.13 4gr1 s ASP 363 N -0.08 6.66 0.00 3.68 2.15 -1.26 -4.92 116.67 122.90 4gr1 s ASP 363 Ca 0.37 0.72 0.15 0.00 0.43 0.00 0.00 52.55 54.22 4gr1 s ASP 363 Cb -0.20 -2.39 0.88 0.00 -0.30 0.00 0.00 42.92 40.90 4gr1 s ASP 363 CO 0.22 -0.54 1.57 -1.22 -0.17 0.00 0.00 175.17 175.03 4gr1 n TYR 364 N 6.04 0.02 -3.53 -5.34 4.02 -1.26 -4.82 117.16 112.29 4gr1 n TYR 364 Ca 0.03 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 4gr1 n TYR 364 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 4gr1 n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 4gr1 s ASN 365 N -1.47 6.38 -1.47 7.72 -0.87 -1.26 -4.33 114.94 119.64 4gr1 s ASN 365 Ca 0.23 0.49 -0.07 0.00 -1.57 0.00 0.00 52.86 51.93 4gr1 s ASN 365 Cb 0.11 -2.05 0.03 0.00 -0.02 0.00 0.00 41.25 39.32 4gr1 s ASN 365 CO 0.18 -0.14 0.76 0.59 -2.57 0.00 0.00 177.10 175.92 4gr1 n ASN 366 N -1.02 -5.67 -4.70 -1.22 5.03 -1.26 -4.98 115.26 101.43 4gr1 n ASN 366 Ca -0.04 -0.42 -0.42 0.00 0.87 0.00 0.00 54.58 54.57 4gr1 n ASN 366 Cb 0.54 -4.55 -0.03 0.00 -1.02 0.00 0.00 39.78 34.72 4gr1 n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 4gr1 s ILE 367 N -3.19 4.50 0.24 2.41 1.01 -1.26 -4.73 121.20 120.18 4gr1 s ILE 367 Ca 0.43 1.79 -0.09 0.00 0.00 0.00 0.00 60.65 62.78 4gr1 s ILE 367 Cb -0.20 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 4gr1 s ILE 367 CO 0.53 0.10 0.56 -2.16 0.00 0.00 0.00 174.94 173.96 4gr1 s PRO 368 N 1.34 3.78 0.01 2.79 0.04 -1.26 -4.39 135.00 137.31 4gr1 s PRO 368 Ca 0.54 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.89 4gr1 s PRO 368 Cb -0.24 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 4gr1 s PRO 368 CO 0.26 0.29 -0.16 0.99 0.04 0.00 0.00 177.00 178.42 4gr1 s THR 369 N -1.87 1.29 -0.08 1.26 2.01 -0.27 -5.01 115.64 112.98 4gr1 s THR 369 Ca 0.47 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.66 4gr1 s THR 369 Cb -0.11 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 4gr1 s THR 369 CO 0.23 0.24 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.46 4gr1 s VAL 370 N -0.58 2.15 -0.18 3.82 1.01 -1.25 -1.03 120.40 124.33 4gr1 s VAL 370 Ca 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 4gr1 s VAL 370 Cb -0.07 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 4gr1 s VAL 370 CO 0.00 0.57 -0.03 -0.69 0.00 0.00 0.00 175.10 174.95 4gr1 s VAL 371 N 0.01 3.78 -1.44 2.92 1.01 0.11 -4.93 120.40 121.86 4gr1 s VAL 371 Ca -0.09 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 4gr1 s VAL 371 Cb -0.15 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.59 4gr1 s VAL 371 CO 0.05 0.46 2.46 0.49 0.00 0.00 0.00 175.10 178.57 4gr1 n PHE 372 N 3.99 2.77 -2.57 5.22 3.72 -1.26 -0.39 117.46 128.94 4gr1 n PHE 372 Ca -0.17 -2.94 0.00 0.00 -0.05 0.00 0.00 57.45 54.29 4gr1 n PHE 372 Cb 0.52 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 4gr1 n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 4gr1 n SER 373 N 3.54 0.00 -3.98 4.37 3.41 -1.26 -4.70 113.62 115.00 4gr1 n SER 373 Ca 0.62 -0.93 -0.31 0.00 -0.26 0.00 0.00 58.87 57.99 4gr1 n SER 373 Cb 0.29 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.09 4gr1 n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 4gr1 s HIS 374 N 0.71 3.37 0.73 7.33 0.09 -1.26 -2.22 115.29 124.03 4gr1 s HIS 374 Ca 0.00 -2.71 -0.11 0.00 -0.00 0.00 0.00 55.06 52.24 4gr1 s HIS 374 Cb 0.00 -2.61 0.03 0.00 -0.00 0.00 0.00 32.58 29.99 4gr1 s HIS 374 CO 0.00 -0.93 1.07 -2.14 -0.00 0.00 0.00 174.74 172.75 4gr1 s PRO 375 N 1.04 2.66 0.88 8.40 0.01 -1.26 -4.77 135.00 141.95 4gr1 s PRO 375 Ca 0.08 0.85 -0.11 0.00 0.01 0.00 0.00 61.00 61.84 4gr1 s PRO 375 Cb -0.19 -1.97 0.12 0.00 0.01 0.00 0.00 34.50 32.47 4gr1 s PRO 375 CO -0.10 -1.27 1.10 -1.25 0.01 0.00 0.00 177.00 175.48 4gr1 s PRO 376 N -5.08 1.40 -0.05 5.54 0.04 -0.94 -4.55 135.00 131.35 4gr1 s PRO 376 Ca 0.59 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.76 4gr1 s PRO 376 Cb -0.14 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 4gr1 s PRO 376 CO 0.55 -2.22 -0.21 0.42 0.04 0.00 0.00 177.00 175.58 4gr1 s ILE 377 N -2.84 2.40 -0.04 0.56 1.01 0.48 -2.05 121.20 120.71 4gr1 s ILE 377 Ca 0.64 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.36 4gr1 s ILE 377 Cb -0.19 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.39 4gr1 s ILE 377 CO 0.57 0.57 -0.12 -0.83 0.00 0.00 0.00 174.94 175.13 4gr1 s GLY 378 N -0.36 0.72 -0.05 6.18 0.00 -0.84 0.08 107.32 113.04 4gr1 s GLY 378 Ca 0.03 -0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.23 4gr1 s GLY 378 CO 0.02 -0.10 0.17 -1.08 0.00 0.00 0.00 173.10 172.11 4gr1 s THR 379 N 0.29 0.01 -0.07 0.90 -1.32 -0.20 -2.12 115.64 113.13 4gr1 s THR 379 Ca -0.07 -0.12 -0.06 0.00 -1.21 0.00 0.00 61.69 60.23 4gr1 s THR 379 Cb -0.12 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.61 4gr1 s THR 379 CO 0.02 -0.07 0.19 0.54 -2.21 0.00 0.00 174.62 173.09 4gr1 s VAL 380 N -0.17 -0.01 0.00 5.08 0.11 -0.19 -1.11 120.40 124.10 4gr1 s VAL 380 Ca -0.03 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 4gr1 s VAL 380 Cb -0.02 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 4gr1 s VAL 380 CO 0.01 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 4gr1 n GLY 381 N 3.28 -0.84 3.80 6.54 0.00 -1.26 -1.92 105.19 114.79 4gr1 n GLY 381 Ca -0.16 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 4gr1 n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4gr1 s LEU 382 N 0.00 4.33 0.83 0.99 1.43 0.67 -4.89 118.68 122.03 4gr1 s LEU 382 Ca 0.00 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 4gr1 s LEU 382 Cb 0.00 -3.83 0.09 0.00 0.03 0.00 0.00 46.19 42.48 4gr1 s LEU 382 CO 0.00 -0.03 1.13 0.42 0.23 0.00 0.00 176.35 178.10 4gr1 s THR 383 N -1.59 2.56 0.30 5.49 -4.23 -1.26 -4.22 115.64 112.68 4gr1 s THR 383 Ca 0.47 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 4gr1 s THR 383 Cb -0.17 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 70.94 4gr1 s THR 383 CO 0.22 -0.24 1.87 -0.08 -0.54 0.00 0.00 174.62 175.86 4gr1 h GLU 384 N -1.16 0.97 -0.20 3.99 4.81 -1.97 -0.85 114.58 120.18 4gr1 h GLU 384 Ca -0.48 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 4gr1 h GLU 384 Cb 1.30 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 4gr1 h GLU 384 CO 0.62 0.64 0.04 -0.44 -0.73 0.00 0.00 179.01 179.14 4gr1 h ASP 385 N 1.00 0.31 -0.37 1.04 3.45 -1.99 -0.85 116.42 119.01 4gr1 h ASP 385 Ca 0.44 -0.25 -0.04 0.00 0.43 0.00 0.00 57.03 57.61 4gr1 h ASP 385 Cb 0.37 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 4gr1 h ASP 385 CO -0.20 0.48 0.11 -0.33 -1.57 0.00 0.00 179.24 177.73 4gr1 h GLU 386 N 0.12 0.65 -0.04 3.56 5.08 -1.81 -1.58 114.58 120.57 4gr1 h GLU 386 Ca 0.06 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 4gr1 h GLU 386 Cb 0.30 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 4gr1 h GLU 386 CO 0.00 0.59 -0.82 0.00 -1.00 0.00 0.00 179.01 177.78 4gr1 h ALA 387 N 1.49 0.51 -0.62 3.43 0.00 -0.88 -2.15 119.26 121.04 4gr1 h ALA 387 Ca 0.15 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.41 4gr1 h ALA 387 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 4gr1 h ALA 387 CO -0.00 0.81 0.40 0.82 0.00 0.00 0.00 179.25 181.27 4gr1 h ILE 388 N 0.22 1.13 0.00 0.00 2.04 -0.73 0.29 117.51 120.47 4gr1 h ILE 388 Ca -0.05 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 4gr1 h ILE 388 Cb 1.43 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 4gr1 h ILE 388 CO 0.14 0.15 -0.25 -0.74 0.00 0.00 0.00 178.15 177.45 4gr1 h HIS 389 N 0.81 0.00 0.09 1.37 2.76 -1.24 0.35 115.15 119.28 4gr1 h HIS 389 Ca 0.23 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 58.04 4gr1 h HIS 389 Cb -0.06 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 4gr1 h HIS 389 CO -0.04 0.25 -2.04 1.17 -1.30 0.00 0.00 177.93 175.97 4gr1 n LYS 390 N -3.73 0.73 -0.01 5.26 4.81 -0.82 -4.61 118.16 119.80 4gr1 n LYS 390 Ca -0.01 0.24 0.05 0.00 -0.87 0.00 0.00 58.31 57.72 4gr1 n LYS 390 Cb 0.36 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.65 4gr1 n LYS 390 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 4gr1 n TYR 391 N -3.39 0.00 0.00 5.64 4.02 0.05 -5.10 117.16 118.39 4gr1 n TYR 391 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 4gr1 n TYR 391 Cb 1.04 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 40.14 4gr1 n TYR 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 4gr1 n GLY 392 N 1.97 2.16 0.40 2.72 0.00 0.12 -4.46 105.19 108.11 4gr1 n GLY 392 Ca -0.02 -1.60 0.20 0.00 0.00 0.00 0.00 46.02 44.60 4gr1 n GLY 392 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 4gr1 h ILE 393 N 0.00 0.69 0.00 -0.61 1.08 -1.89 0.32 117.51 117.10 4gr1 h ILE 393 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 4gr1 h ILE 393 Cb 0.00 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 4gr1 h ILE 393 CO 0.00 0.05 0.00 -1.84 -0.69 0.00 0.00 178.15 175.67 4gr1 n GLU 394 N -4.45 0.15 -0.38 2.37 0.28 -1.26 -3.44 120.64 113.92 4gr1 n GLU 394 Ca 0.17 0.19 0.08 0.00 -0.16 0.00 0.00 57.16 57.43 4gr1 n GLU 394 Cb 0.69 -1.70 0.25 0.00 1.43 0.00 0.00 31.44 32.10 4gr1 n GLU 394 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 4gr1 n ASN 395 N -1.98 3.73 -4.08 -1.84 3.02 0.11 -4.95 115.26 109.28 4gr1 n ASN 395 Ca 0.05 -2.39 -0.29 0.00 -0.03 0.00 0.00 54.58 51.92 4gr1 n ASN 395 Cb 0.35 -0.42 -0.17 0.00 -0.61 0.00 0.00 39.78 38.94 4gr1 n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 4gr1 s VAL 396 N -1.71 1.63 -0.01 2.41 1.01 -1.20 -1.00 120.40 121.53 4gr1 s VAL 396 Ca 0.37 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.67 4gr1 s VAL 396 Cb 0.24 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 4gr1 s VAL 396 CO 0.17 0.47 -0.14 -0.75 0.00 0.00 0.00 175.10 174.85 4gr1 s LYS 397 N 0.97 1.14 0.26 2.72 2.47 -0.75 -4.99 119.74 121.55 4gr1 s LYS 397 Ca -0.06 -0.49 0.11 0.00 -1.56 0.00 0.00 55.97 53.97 4gr1 s LYS 397 Cb -0.15 -1.09 -0.05 0.00 -1.46 0.00 0.00 37.83 35.08 4gr1 s LYS 397 CO -0.02 0.28 -0.19 0.95 0.16 0.00 0.00 175.35 176.54 4gr1 s THR 398 N -0.28 2.28 0.03 3.43 -4.23 -1.26 -0.78 115.64 114.83 4gr1 s THR 398 Ca 0.04 -2.34 0.04 0.00 -1.18 0.00 0.00 61.69 58.25 4gr1 s THR 398 Cb -0.06 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 4gr1 s THR 398 CO -0.00 -0.44 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.21 4gr1 s TYR 399 N -2.60 1.03 0.23 3.99 1.51 0.71 -4.97 117.35 117.25 4gr1 s TYR 399 Ca 0.28 -0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 4gr1 s TYR 399 Cb -0.04 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 4gr1 s TYR 399 CO 0.13 0.01 0.47 -1.54 -1.11 0.00 0.00 175.55 173.51 4gr1 s SER 400 N -0.97 -0.12 0.07 2.29 1.04 -1.26 0.61 113.70 115.37 4gr1 s SER 400 Ca 0.00 -0.82 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 4gr1 s SER 400 Cb -0.07 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.66 4gr1 s SER 400 CO 0.01 -1.10 0.40 0.28 0.98 0.00 0.00 173.24 173.80 4gr1 s THR 401 N -3.98 0.06 -0.10 2.02 -1.32 -0.81 -4.89 115.64 106.62 4gr1 s THR 401 Ca 0.19 -0.52 -0.06 0.00 -1.21 0.00 0.00 61.69 60.09 4gr1 s THR 401 Cb -0.01 -1.03 0.04 0.00 -1.51 0.00 0.00 72.50 69.99 4gr1 s THR 401 CO 0.05 -0.29 0.25 -0.55 -2.21 0.00 0.00 174.62 171.87 4gr1 s SER 402 N -2.30 -0.26 0.14 8.08 0.15 -1.26 -2.39 113.70 115.86 4gr1 s SER 402 Ca -0.02 0.52 -0.24 0.00 0.70 0.00 0.00 55.95 56.91 4gr1 s SER 402 Cb 0.00 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 4gr1 s SER 402 CO -0.06 -0.15 0.70 0.72 1.20 0.00 0.00 173.24 175.65 4gr1 s PHE 403 N 1.07 -0.43 -0.36 3.44 -0.71 -0.58 -4.98 117.98 115.43 4gr1 s PHE 403 Ca -0.08 0.20 -0.19 0.00 -1.04 0.00 0.00 56.93 55.82 4gr1 s PHE 403 Cb -0.09 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 4gr1 s PHE 403 CO -0.07 -0.83 0.54 0.99 -1.34 0.00 0.00 175.22 174.52 4gr1 s THR 404 N -3.60 4.98 0.36 -4.49 2.01 -1.26 0.10 115.64 113.75 4gr1 s THR 404 Ca 0.04 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 4gr1 s THR 404 Cb -0.02 -4.00 -0.12 0.00 0.01 0.00 0.00 72.50 68.37 4gr1 s THR 404 CO -0.09 -0.27 1.36 -2.65 -0.69 0.00 0.00 174.62 172.28 4gr1 n PRO 405 N 5.83 2.30 0.00 4.92 -0.02 -1.26 -4.83 135.00 141.94 4gr1 n PRO 405 Ca -0.04 0.81 0.23 0.00 -2.02 0.00 0.00 63.50 62.48 4gr1 n PRO 405 Cb 0.49 -2.46 0.68 0.00 -0.02 0.00 0.00 33.50 32.19 4gr1 n PRO 405 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 4gr1 h MET 406 N 2.64 0.00 -0.75 -0.52 1.85 -1.96 -0.35 114.93 115.84 4gr1 h MET 406 Ca -0.48 0.00 0.19 0.00 -0.61 0.00 0.00 59.70 58.80 4gr1 h MET 406 Cb 1.27 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.26 4gr1 h MET 406 CO 0.63 0.00 0.52 -0.92 -0.40 0.00 0.00 176.91 176.74 4gr1 h TYR 407 N 0.00 0.20 -0.12 1.39 3.20 -2.02 -1.90 116.97 117.72 4gr1 h TYR 407 Ca 0.28 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 4gr1 h TYR 407 Cb 1.56 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.77 4gr1 h TYR 407 CO 0.00 0.06 0.00 0.72 -1.64 0.00 0.00 178.16 177.30 4gr1 n HIS 408 N -4.39 0.14 0.04 -3.82 8.25 -0.14 -4.17 115.22 111.12 4gr1 n HIS 408 Ca 0.15 -0.07 0.21 0.00 -0.26 0.00 0.00 57.72 57.75 4gr1 n HIS 408 Cb 0.71 0.00 0.73 0.00 1.12 0.00 0.00 29.99 32.55 4gr1 n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 4gr1 h ALA 409 N 4.45 2.31 0.00 -1.41 0.00 -1.46 -2.10 119.26 121.04 4gr1 h ALA 409 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 4gr1 h ALA 409 Cb 0.76 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 4gr1 h ALA 409 CO 0.00 -0.69 -0.02 1.33 0.00 0.00 0.00 179.25 179.87 4gr1 n VAL 410 N -3.99 1.35 -3.99 0.00 0.24 -1.26 -5.06 118.33 105.63 4gr1 n VAL 410 Ca 0.09 -1.53 -0.22 0.00 -2.04 0.00 0.00 64.34 60.64 4gr1 n VAL 410 Cb 0.64 0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 33.13 4gr1 n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 4gr1 s THR 411 N -1.81 3.19 -0.12 3.34 -4.23 -0.79 -4.78 115.64 110.44 4gr1 s THR 411 Ca 0.15 -1.57 0.17 0.00 -1.18 0.00 0.00 61.69 59.26 4gr1 s THR 411 Cb 0.13 -3.05 -0.19 0.00 1.34 0.00 0.00 72.50 70.72 4gr1 s THR 411 CO 0.01 -0.17 0.61 0.29 -0.54 0.00 0.00 174.62 174.82 4gr1 n LYS 412 N -1.24 0.64 -2.90 3.99 5.02 -1.26 -4.83 118.16 117.59 4gr1 n LYS 412 Ca -0.02 0.14 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 4gr1 n LYS 412 Cb 0.61 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 4gr1 n LYS 412 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 4gr1 s ARG 413 N -2.85 4.48 0.04 1.97 3.52 -1.26 -5.08 118.95 119.77 4gr1 s ARG 413 Ca -0.05 1.17 -0.00 0.00 -0.13 0.00 0.00 55.73 56.71 4gr1 s ARG 413 Cb 0.09 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 4gr1 s ARG 413 CO 0.83 0.34 -0.03 0.15 -0.81 0.00 0.00 175.30 175.78 4gr1 s LYS 414 N -1.95 0.46 0.20 5.12 -0.14 -1.26 -4.90 119.74 117.26 4gr1 s LYS 414 Ca 0.47 -0.92 -0.05 0.00 -1.36 0.00 0.00 55.97 54.11 4gr1 s LYS 414 Cb -0.18 0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.10 4gr1 s LYS 414 CO 0.23 -0.08 0.23 0.95 -0.76 0.00 0.00 175.35 175.92 4gr1 s THR 415 N -2.69 0.02 0.28 2.17 -4.23 -1.26 -5.07 115.64 104.85 4gr1 s THR 415 Ca -0.04 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 4gr1 s THR 415 Cb -0.01 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.49 4gr1 s THR 415 CO -0.06 -0.09 -0.09 -0.75 -0.54 0.00 0.00 174.62 173.09 4gr1 s LYS 416 N -4.09 1.56 -0.11 3.99 2.20 -1.26 -4.44 119.74 117.59 4gr1 s LYS 416 Ca 0.30 -1.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.16 4gr1 s LYS 416 Cb 0.05 -1.29 0.01 0.00 -1.51 0.00 0.00 37.83 35.09 4gr1 s LYS 416 CO 0.08 0.11 -0.16 0.00 -0.36 0.00 0.00 175.35 175.03 4gr1 s VAL 418 N 1.01 1.90 0.02 0.00 -7.23 -0.74 -1.53 120.40 113.83 4gr1 s VAL 418 Ca -0.06 -0.96 0.05 0.00 -1.81 0.00 0.00 61.98 59.20 4gr1 s VAL 418 Cb -0.15 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 4gr1 s VAL 418 CO -0.02 0.53 -0.14 -0.04 -0.31 0.00 0.00 175.10 175.11 4gr1 s MET 419 N 0.07 1.00 -0.05 4.82 -1.94 -1.00 -0.41 119.30 121.79 4gr1 s MET 419 Ca -0.09 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.18 4gr1 s MET 419 Cb -0.15 -1.00 0.02 0.00 2.01 0.00 0.00 34.83 35.71 4gr1 s MET 419 CO 0.05 0.26 0.12 0.21 -0.01 0.00 0.00 175.02 175.65 4gr1 s LYS 420 N -0.89 0.11 -0.14 2.03 2.20 0.14 -1.93 119.74 121.25 4gr1 s LYS 420 Ca 0.03 0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.90 4gr1 s LYS 420 Cb -0.07 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 4gr1 s LYS 420 CO 0.01 -0.08 -0.20 1.41 -0.36 0.00 0.00 175.35 176.13 4gr1 s MET 421 N 0.54 2.81 -0.30 4.03 -2.45 0.20 -1.42 119.30 122.71 4gr1 s MET 421 Ca -0.04 -0.77 -0.13 0.00 -1.25 0.00 0.00 55.69 53.50 4gr1 s MET 421 Cb -0.06 -2.34 -0.03 0.00 1.25 0.00 0.00 34.83 33.65 4gr1 s MET 421 CO -0.02 -0.09 0.26 0.08 1.05 0.00 0.00 175.02 176.30 4gr1 s VAL 422 N 1.02 5.26 0.20 10.11 1.01 0.62 -0.21 120.40 138.41 4gr1 s VAL 422 Ca -0.03 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.14 4gr1 s VAL 422 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 4gr1 s VAL 422 CO -0.05 0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.27 4gr1 s ALA 424 N -1.89 0.93 0.13 0.00 0.00 -0.65 -1.82 121.76 118.47 4gr1 s ALA 424 Ca 0.31 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.32 4gr1 s ALA 424 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.01 4gr1 s ALA 424 CO 0.22 0.05 0.00 0.09 0.00 0.00 0.00 175.76 176.13 4gr1 n ASN 425 N 1.21 -5.41 0.11 0.00 5.03 -0.17 -1.12 115.26 114.91 4gr1 n ASN 425 Ca -0.21 0.63 -0.03 0.00 0.87 0.00 0.00 54.58 55.84 4gr1 n ASN 425 Cb 0.55 -1.84 0.14 0.00 -1.02 0.00 0.00 39.78 37.61 4gr1 n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 4gr1 h LYS 426 N 0.00 0.13 0.00 3.52 3.64 -1.99 -2.53 116.57 119.34 4gr1 h LYS 426 Ca 0.01 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 4gr1 h LYS 426 Cb 0.53 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 4gr1 h LYS 426 CO 0.00 0.70 -0.18 1.05 -2.27 0.00 0.00 179.45 178.75 4gr1 h GLU 427 N 0.09 0.00 -5.40 1.90 9.09 -2.01 -3.47 114.58 114.79 4gr1 h GLU 427 Ca -0.01 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.14 4gr1 h GLU 427 Cb 1.11 0.00 0.19 0.00 -1.65 0.00 0.00 28.75 28.40 4gr1 h GLU 427 CO 0.09 0.18 -0.81 0.39 0.05 0.00 0.00 179.01 178.91 4gr1 n GLU 428 N -3.48 -3.13 -2.05 1.06 1.02 -0.92 -4.39 120.64 108.74 4gr1 n GLU 428 Ca -0.01 0.83 -0.41 0.00 -0.02 0.00 0.00 57.16 57.55 4gr1 n GLU 428 Cb 0.35 -5.70 -0.02 0.00 -0.02 0.00 0.00 31.44 26.04 4gr1 n GLU 428 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 4gr1 s LYS 429 N -4.56 4.29 -0.54 3.49 2.20 -0.27 -1.39 119.74 122.96 4gr1 s LYS 429 Ca 0.34 2.25 -0.28 0.00 -0.36 0.00 0.00 55.97 57.92 4gr1 s LYS 429 Cb -0.04 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 4gr1 s LYS 429 CO 0.71 -0.40 1.29 0.08 -0.36 0.00 0.00 175.35 176.68 4gr1 s VAL 430 N 0.10 3.94 -2.27 4.02 1.01 -0.46 -1.64 120.40 125.11 4gr1 s VAL 430 Ca 0.59 0.87 0.23 0.00 0.00 0.00 0.00 61.98 63.67 4gr1 s VAL 430 Cb -0.41 -4.54 0.04 0.00 0.00 0.00 0.00 36.38 31.47 4gr1 s VAL 430 CO 0.41 -1.17 1.13 1.33 0.00 0.00 0.00 175.10 176.80 4gr1 n VAL 431 N 6.82 0.00 -3.64 2.92 0.24 -0.44 -4.78 118.33 119.44 4gr1 n VAL 431 Ca 0.11 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 4gr1 n VAL 431 Cb 0.49 1.32 -0.07 0.00 -1.47 0.00 0.00 33.84 34.11 4gr1 n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 4gr1 s GLY 432 N -2.35 -0.35 -0.08 7.63 0.00 -1.00 -0.24 107.32 110.93 4gr1 s GLY 432 Ca 0.21 2.47 0.02 0.00 0.00 0.00 0.00 44.72 47.42 4gr1 s GLY 432 CO 0.50 2.01 -0.12 -0.42 0.00 0.00 0.00 173.10 175.07 4gr1 s ILE 433 N 0.69 1.18 -0.04 0.90 1.01 -0.81 -0.27 121.20 123.86 4gr1 s ILE 433 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.16 4gr1 s ILE 433 Cb -0.05 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.35 4gr1 s ILE 433 CO -0.07 0.37 -0.03 -1.00 0.00 0.00 0.00 174.94 174.21 4gr1 s HIS 434 N 0.84 0.58 0.13 3.97 3.76 -0.51 -1.03 115.29 123.03 4gr1 s HIS 434 Ca -0.11 -0.13 -0.19 0.00 -0.15 0.00 0.00 55.06 54.49 4gr1 s HIS 434 Cb -0.15 -0.57 0.05 0.00 1.11 0.00 0.00 32.58 33.02 4gr1 s HIS 434 CO 0.02 -0.17 0.47 0.00 -0.85 0.00 0.00 174.74 174.21 4gr1 s MET 435 N 0.96 1.13 -0.04 1.40 0.23 -0.90 0.25 119.30 122.33 4gr1 s MET 435 Ca -0.11 -0.61 -0.03 0.00 -1.03 0.00 0.00 55.69 53.92 4gr1 s MET 435 Cb -0.14 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.69 4gr1 s MET 435 CO -0.01 -0.46 0.10 -1.14 -2.03 0.00 0.00 175.02 171.49 4gr1 s GLN 436 N -3.71 0.08 0.00 3.16 0.74 0.45 -1.99 119.66 118.38 4gr1 s GLN 436 Ca 0.02 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.65 4gr1 s GLN 436 Cb 0.01 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.05 4gr1 s GLN 436 CO -0.12 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 4gr1 n GLY 437 N 3.61 2.34 3.68 2.59 0.00 -0.87 -1.79 105.19 114.75 4gr1 n GLY 437 Ca -0.19 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.29 4gr1 n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4gr1 n LEU 438 N 0.00 3.60 0.00 0.99 4.77 -1.26 -1.41 117.00 123.69 4gr1 n LEU 438 Ca 0.00 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 4gr1 n LEU 438 Cb 0.00 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 4gr1 n LEU 438 CO 0.00 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 4gr1 n GLY 439 N 4.07 2.48 0.14 -0.72 0.00 -1.26 -4.93 105.19 104.96 4gr1 n GLY 439 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 4gr1 n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gr1 h ASP 441 N 0.00 0.52 0.19 0.00 2.03 -1.86 -3.28 116.42 114.02 4gr1 h ASP 441 Ca 0.00 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 4gr1 h ASP 441 Cb 0.02 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 4gr1 h ASP 441 CO 0.00 1.02 -0.75 -0.62 -1.03 0.00 0.00 179.24 177.87 4gr1 n GLU 442 N -3.90 0.13 0.03 4.15 -0.58 -0.95 -4.29 120.64 115.23 4gr1 n GLU 442 Ca -0.04 -0.10 -0.05 0.00 -0.42 0.00 0.00 57.16 56.56 4gr1 n GLU 442 Cb 0.65 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.92 4gr1 n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 4gr1 h MET 443 N 0.23 0.00 0.12 3.49 4.05 -1.56 -3.39 114.93 117.88 4gr1 h MET 443 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 4gr1 h MET 443 Cb 0.52 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 4gr1 h MET 443 CO 0.00 0.55 -0.09 1.25 0.23 0.00 0.00 176.91 178.85 4gr1 h LEU 444 N 0.00 -0.22 -0.98 3.39 5.85 -1.75 -3.36 115.31 118.24 4gr1 h LEU 444 Ca -0.16 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.70 4gr1 h LEU 444 Cb 1.78 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.74 4gr1 h LEU 444 CO 0.08 -0.14 -0.45 1.67 -0.34 0.00 0.00 178.44 179.26 4gr1 n GLN 445 N -5.20 -0.30 0.00 1.25 -0.06 -1.26 -1.74 117.38 110.07 4gr1 n GLN 445 Ca -0.08 1.49 -0.11 0.00 -2.00 0.00 0.00 57.00 56.30 4gr1 n GLN 445 Cb 0.12 -2.20 0.02 0.00 -4.06 0.00 0.00 30.24 24.12 4gr1 n GLN 445 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 4gr1 h GLY 446 N 0.00 0.64 2.00 1.69 0.00 -1.89 -1.32 103.07 104.19 4gr1 h GLY 446 Ca 0.27 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 4gr1 h GLY 446 CO -0.95 0.72 -0.03 0.74 0.00 0.00 0.00 176.54 177.02 4gr1 h PHE 447 N 0.43 0.00 0.00 5.60 -1.00 -1.58 -0.66 116.94 119.73 4gr1 h PHE 447 Ca -0.01 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 4gr1 h PHE 447 Cb 1.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 4gr1 h PHE 447 CO 0.05 0.03 -0.57 0.00 -1.61 0.00 0.00 178.31 176.21 4gr1 h ALA 448 N 1.97 0.95 -0.03 2.45 0.00 -0.40 0.31 119.26 124.51 4gr1 h ALA 448 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 4gr1 h ALA 448 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 4gr1 h ALA 448 CO 0.00 0.71 -0.01 0.28 0.00 0.00 0.00 179.25 180.24 4gr1 h VAL 449 N 0.00 1.30 -0.94 0.00 2.07 -0.50 -2.15 116.25 116.03 4gr1 h VAL 449 Ca -0.01 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.66 4gr1 h VAL 449 Cb 1.08 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 4gr1 h VAL 449 CO 0.07 0.24 0.61 0.00 0.02 0.00 0.00 177.57 178.51 4gr1 h ALA 450 N 0.63 1.48 -0.13 1.67 0.00 -0.83 -1.39 119.26 120.70 4gr1 h ALA 450 Ca 0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 4gr1 h ALA 450 Cb 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.91 4gr1 h ALA 450 CO 0.00 0.38 -0.74 0.28 0.00 0.00 0.00 179.25 179.17 4gr1 h VAL 451 N 1.07 1.32 -0.86 0.00 2.07 -0.33 -1.75 116.25 117.77 4gr1 h VAL 451 Ca 0.40 -2.02 0.01 0.00 0.82 0.00 0.00 66.70 65.91 4gr1 h VAL 451 Cb 0.19 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 4gr1 h VAL 451 CO -0.15 0.63 0.57 0.50 0.02 0.00 0.00 177.57 179.13 4gr1 h LYS 452 N 0.44 1.14 0.00 1.57 1.63 -0.70 -2.39 116.57 118.25 4gr1 h LYS 452 Ca -0.04 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 4gr1 h LYS 452 Cb 1.35 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 4gr1 h LYS 452 CO 0.14 0.75 0.00 -1.33 -3.45 0.00 0.00 179.45 175.57 4gr1 n MET 453 N -4.40 0.08 -1.19 1.90 2.81 -0.59 -4.88 117.12 110.85 4gr1 n MET 453 Ca 0.10 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 4gr1 n MET 453 Cb 0.02 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 4gr1 n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 4gr1 n GLY 454 N 0.72 1.03 3.80 3.03 0.00 -0.90 -5.02 105.19 107.85 4gr1 n GLY 454 Ca 0.07 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 4gr1 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gr1 s ALA 455 N -2.37 2.79 0.65 4.61 0.00 -0.67 -4.84 121.76 121.93 4gr1 s ALA 455 Ca 0.00 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.51 4gr1 s ALA 455 Cb 0.00 -3.24 0.12 0.00 0.00 0.00 0.00 23.12 19.99 4gr1 s ALA 455 CO 0.00 -0.63 0.90 0.95 0.00 0.00 0.00 175.76 176.98 4gr1 s THR 456 N -2.25 2.01 0.28 0.00 -4.23 -1.26 -1.35 115.64 108.83 4gr1 s THR 456 Ca 0.65 -0.87 0.20 0.00 -1.18 0.00 0.00 61.69 60.49 4gr1 s THR 456 Cb -0.16 -2.14 0.17 0.00 1.34 0.00 0.00 72.50 71.70 4gr1 s THR 456 CO 0.30 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 176.73 4gr1 h LYS 457 N -0.15 0.00 -0.15 3.99 1.63 -1.43 -1.94 116.57 118.53 4gr1 h LYS 457 Ca -0.30 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.42 4gr1 h LYS 457 Cb 1.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 4gr1 h LYS 457 CO 0.39 0.30 -0.24 0.00 -3.45 0.00 0.00 179.45 176.45 4gr1 h ALA 458 N 1.70 1.32 -0.09 5.00 0.00 -1.85 0.29 119.26 125.64 4gr1 h ALA 458 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 4gr1 h ALA 458 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 4gr1 h ALA 458 CO 0.04 0.46 0.03 -0.44 0.00 0.00 0.00 179.25 179.34 4gr1 h ASP 459 N 0.24 0.12 -0.34 0.00 3.32 -1.74 0.15 116.42 118.16 4gr1 h ASP 459 Ca 0.04 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.91 4gr1 h ASP 459 Cb 0.56 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 4gr1 h ASP 459 CO 0.04 0.27 0.22 -0.26 -1.72 0.00 0.00 179.24 177.79 4gr1 h PHE 460 N -0.03 0.44 0.00 4.55 -1.00 -1.29 -2.88 116.94 116.72 4gr1 h PHE 460 Ca 0.03 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 4gr1 h PHE 460 Cb 0.19 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 4gr1 h PHE 460 CO -0.01 0.29 -0.14 -0.44 -1.61 0.00 0.00 178.31 176.40 4gr1 h ASP 461 N 0.46 0.00 -0.17 2.17 3.32 -0.03 -2.57 116.42 119.59 4gr1 h ASP 461 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 4gr1 h ASP 461 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 4gr1 h ASP 461 CO -0.03 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 4gr1 n ASN 462 N -3.95 1.46 -4.64 6.45 3.02 0.48 -4.79 115.26 113.29 4gr1 n ASN 462 Ca -0.02 -1.72 -0.39 0.00 -0.03 0.00 0.00 54.58 52.42 4gr1 n ASN 462 Cb 0.23 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 4gr1 n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 4gr1 s THR 463 N -1.78 5.15 0.23 3.41 2.01 -0.97 -5.05 115.64 118.63 4gr1 s THR 463 Ca 0.30 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 4gr1 s THR 463 Cb 0.16 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 4gr1 s THR 463 CO 0.24 0.18 1.35 -0.69 -0.69 0.00 0.00 174.62 175.01 4gr1 s VAL 464 N 1.74 2.98 0.63 3.82 1.01 -1.26 -4.96 120.40 124.36 4gr1 s VAL 464 Ca 0.20 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 4gr1 s VAL 464 Cb -0.15 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 4gr1 s VAL 464 CO 0.09 0.13 1.09 0.00 0.00 0.00 0.00 175.10 176.41 4gr1 s ALA 465 N -0.04 2.59 -0.26 5.51 0.00 -1.26 -5.05 121.76 123.24 4gr1 s ALA 465 Ca 0.57 0.49 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 4gr1 s ALA 465 Cb -0.39 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 4gr1 s ALA 465 CO 0.41 -1.07 0.07 0.42 0.00 0.00 0.00 175.76 175.59 4gr1 s ILE 466 N -2.37 4.19 -0.03 0.00 1.01 -1.26 -5.08 121.20 117.65 4gr1 s ILE 466 Ca 0.66 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 61.03 4gr1 s ILE 466 Cb -0.19 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 4gr1 s ILE 466 CO 0.39 0.26 -0.23 -2.28 0.00 0.00 0.00 174.94 173.09 4gr1 s HIS 467 N 1.58 2.10 -0.20 3.97 2.46 -1.26 -3.58 115.29 120.36 4gr1 s HIS 467 Ca 0.05 -0.50 -0.15 0.00 0.47 0.00 0.00 55.06 54.94 4gr1 s HIS 467 Cb -0.16 -1.37 -0.04 0.00 -0.13 0.00 0.00 32.58 30.88 4gr1 s HIS 467 CO 0.03 -0.11 0.34 -1.25 -2.47 0.00 0.00 174.74 171.28 4gr1 s PRO 468 N -0.34 4.17 0.31 2.88 0.05 -1.26 -5.18 135.00 135.62 4gr1 s PRO 468 Ca 0.03 0.10 0.03 0.00 0.05 0.00 0.00 61.00 61.21 4gr1 s PRO 468 Cb -0.11 -3.52 -0.02 0.00 0.05 0.00 0.00 34.50 30.90 4gr1 s PRO 468 CO 0.01 0.03 0.30 0.95 0.05 0.00 0.00 177.00 178.34 4gr1 s THR 469 N 1.11 0.00 -0.05 1.26 -4.23 -1.23 -5.04 115.64 107.46 4gr1 s THR 469 Ca 0.16 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.71 4gr1 s THR 469 Cb -0.14 -2.52 -0.29 0.00 1.34 0.00 0.00 72.50 70.88 4gr1 s THR 469 CO 0.07 0.00 0.66 0.28 -0.54 0.00 0.00 174.62 175.09 4gr1 h SER 470 N 2.23 0.54 0.23 3.99 0.02 -1.92 -3.38 113.55 115.26 4gr1 h SER 470 Ca -0.28 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 59.79 4gr1 h SER 470 Cb 1.24 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 4gr1 h SER 470 CO 0.40 1.72 -0.15 0.77 -1.14 0.00 0.00 176.83 178.43 4gr1 h SER 471 N 0.09 0.00 0.19 3.07 4.64 -1.94 -2.23 113.55 117.38 4gr1 h SER 471 Ca -0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 4gr1 h SER 471 Cb 2.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.17 4gr1 h SER 471 CO 0.16 0.15 -0.02 1.05 -0.87 0.00 0.00 176.83 177.30 4gr1 h GLU 472 N 0.00 0.00 -0.08 4.77 4.11 -1.74 -2.47 114.58 119.17 4gr1 h GLU 472 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 4gr1 h GLU 472 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 4gr1 h GLU 472 CO 0.02 0.02 -0.13 0.93 0.07 0.00 0.00 179.01 179.92 4gr1 h GLU 473 N 0.00 0.13 0.00 1.06 4.39 -1.67 -2.58 114.58 115.90 4gr1 h GLU 473 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 4gr1 h GLU 473 Cb 0.12 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 4gr1 h GLU 473 CO 0.00 0.26 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.89 4gr1 h LEU 474 N 0.12 0.00 -2.03 1.33 3.38 -1.64 -2.83 115.31 113.63 4gr1 h LEU 474 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 4gr1 h LEU 474 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 4gr1 h LEU 474 CO 0.02 0.15 0.00 1.33 0.09 0.00 0.00 178.44 180.03 4gr1 n VAL 475 N -3.25 0.21 -2.14 1.22 0.24 -0.98 -4.38 118.33 109.24 4gr1 n VAL 475 Ca 0.01 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 4gr1 n VAL 475 Cb 0.43 1.23 0.10 0.00 -1.47 0.00 0.00 33.84 34.12 4gr1 n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 4gr1 n THR 476 N 1.34 1.35 -2.63 3.34 -2.24 -1.07 -4.38 114.28 109.99 4gr1 n THR 476 Ca 0.16 -2.55 -0.40 0.00 -2.27 0.00 0.00 64.05 58.99 4gr1 n THR 476 Cb 0.59 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 4gr1 n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 4gr1 s LEU 477 N -2.22 4.56 0.00 3.22 1.43 -1.21 -4.99 118.68 119.47 4gr1 s LEU 477 Ca 0.37 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 4gr1 s LEU 477 Cb 0.38 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.99 4gr1 s LEU 477 CO -0.09 -0.04 0.01 0.54 0.23 0.00 0.00 176.35 177.01