#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1y s LEU 1 N 0.00 4.16 0.27 -3.43 2.34 -1.26 -4.94 118.68 115.83 3m1y s LEU 1 Ca 0.00 2.60 -0.30 0.00 0.06 0.00 0.00 54.13 56.49 3m1y s LEU 1 Cb 0.00 -3.98 -0.11 0.00 -0.56 0.00 0.00 46.19 41.55 3m1y s LEU 1 CO 0.00 -0.90 1.51 -1.58 -1.06 0.00 0.00 176.35 174.32 3m1y s GLN 2 N -2.34 4.20 0.39 1.48 0.74 -1.26 -4.92 119.66 117.95 3m1y s GLN 2 Ca 0.59 2.43 0.05 0.00 0.05 0.00 0.00 55.36 58.47 3m1y s GLN 2 Cb -0.37 -3.07 -0.06 0.00 1.10 0.00 0.00 33.01 30.61 3m1y s GLN 2 CO 0.46 -0.51 0.04 0.15 -0.55 0.00 0.00 175.29 174.87 3m1y s LYS 3 N -0.45 1.88 -0.08 1.67 1.02 -0.79 -4.95 119.74 118.05 3m1y s LYS 3 Ca 0.61 -2.09 0.01 0.00 0.02 0.00 0.00 55.97 54.53 3m1y s LYS 3 Cb -0.44 -1.27 0.02 0.00 -0.52 0.00 0.00 37.83 35.61 3m1y s LYS 3 CO 0.45 -0.17 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.43 3m1y s LEU 4 N -3.65 1.52 -0.22 3.17 2.96 -0.19 -1.09 118.68 121.19 3m1y s LEU 4 Ca 0.31 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3m1y s LEU 4 Cb 0.08 -0.85 0.03 0.00 0.50 0.00 0.00 46.19 45.94 3m1y s LEU 4 CO 0.15 -0.02 -0.13 0.00 -1.32 0.00 0.00 176.35 175.04 3m1y s ALA 5 N 1.01 2.53 -0.11 5.97 0.00 0.69 -0.09 121.76 131.75 3m1y s ALA 5 Ca -0.08 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.52 3m1y s ALA 5 Cb -0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 3m1y s ALA 5 CO -0.01 -0.63 -0.17 0.54 0.00 0.00 0.00 175.76 175.50 3m1y s VAL 6 N 1.29 2.75 0.03 0.00 0.11 -0.20 -0.13 120.40 124.24 3m1y s VAL 6 Ca 0.01 -0.78 0.06 0.00 -2.93 0.00 0.00 61.98 58.35 3m1y s VAL 6 Cb -0.15 -2.12 -0.03 0.00 -1.53 0.00 0.00 36.38 32.54 3m1y s VAL 6 CO -0.08 0.54 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.72 3m1y s PHE 7 N 0.27 2.64 0.50 1.54 0.08 0.17 -1.44 117.98 121.74 3m1y s PHE 7 Ca -0.12 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 3m1y s PHE 7 Cb -0.16 -1.51 -0.06 0.00 -0.57 0.00 0.00 43.02 40.73 3m1y s PHE 7 CO 0.06 0.27 0.89 0.34 -0.10 0.00 0.00 175.22 176.69 3m1y s ASP 8 N -1.39 6.42 0.00 1.36 2.15 -0.69 -0.86 116.67 123.67 3m1y s ASP 8 Ca 0.15 1.27 0.00 0.00 0.43 0.00 0.00 52.55 54.40 3m1y s ASP 8 Cb -0.11 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 3m1y s ASP 8 CO 0.06 -0.60 0.00 0.33 -0.17 0.00 0.00 175.17 174.79 3m1y n PHE 9 N -1.93 0.00 -1.75 -5.34 7.35 -1.13 -3.52 117.46 111.15 3m1y n PHE 9 Ca 0.04 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.31 3m1y n PHE 9 Cb 0.54 -0.19 -0.03 0.00 0.35 0.00 0.00 39.48 40.15 3m1y n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3m1y s ASP 10 N -3.42 6.48 -1.57 -2.13 1.01 -1.26 -1.09 116.67 114.69 3m1y s ASP 10 Ca 0.00 2.62 0.00 0.00 0.71 0.00 0.00 52.55 55.88 3m1y s ASP 10 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3m1y s ASP 10 CO 0.00 -1.01 0.00 -1.20 0.21 0.00 0.00 175.17 173.17 3m1y n SER 11 N 6.94 -4.83 0.08 0.27 7.64 -0.36 -4.77 113.62 118.58 3m1y n SER 11 Ca 0.19 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3m1y n SER 11 Cb 0.41 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 3m1y n SER 11 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3m1y n THR 12 N -2.96 0.40 -0.03 0.44 -1.04 -1.02 -4.71 114.28 105.36 3m1y n THR 12 Ca -0.17 0.13 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 3m1y n THR 12 Cb 0.55 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 68.09 3m1y n THR 12 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3m1y h LEU 13 N 0.00 0.26 -9.22 -4.42 3.38 -1.15 -3.45 115.31 100.71 3m1y h LEU 13 Ca 0.00 -0.78 -0.65 0.00 0.09 0.00 0.00 57.88 56.54 3m1y h LEU 13 Cb 0.00 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 40.52 3m1y h LEU 13 CO 0.00 1.58 -0.58 0.68 0.09 0.00 0.00 178.44 180.21 3m1y s VAL 14 N -2.44 4.62 -1.43 1.22 -7.23 -0.99 -1.25 120.40 112.90 3m1y s VAL 14 Ca -0.23 -0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 3m1y s VAL 14 Cb 0.05 -3.02 0.06 0.00 0.56 0.00 0.00 36.38 34.03 3m1y s VAL 14 CO 0.71 0.54 2.24 -3.20 -0.31 0.00 0.00 175.10 175.09 3m1y n ASN 15 N 2.77 4.97 0.00 4.85 5.15 0.98 -1.23 115.26 132.75 3m1y n ASN 15 Ca -0.18 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 3m1y n ASN 15 Cb 0.53 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 3m1y n ASN 15 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m1y n ALA 16 N 5.03 0.00 -3.79 5.20 0.00 -1.26 -4.69 120.51 120.99 3m1y n ALA 16 Ca 0.53 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 3m1y n ALA 16 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.66 3m1y n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3m1y s GLU 17 N -2.00 3.03 0.14 0.00 2.56 -1.26 -1.89 118.70 119.28 3m1y s GLU 17 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 54.97 53.90 3m1y s GLU 17 Cb 0.00 -2.86 0.01 0.00 2.00 0.00 0.00 34.13 33.28 3m1y s GLU 17 CO 0.00 -0.28 1.63 1.15 -0.56 0.00 0.00 175.26 177.20 3m1y h THR 18 N 5.96 0.39 -0.79 -1.70 2.02 -1.97 -1.70 112.91 115.13 3m1y h THR 18 Ca -0.39 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.84 3m1y h THR 18 Cb 1.13 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 3m1y h THR 18 CO 0.60 0.00 0.48 -0.29 0.37 0.00 0.00 175.52 176.68 3m1y h ILE 19 N -0.28 1.03 0.00 3.11 6.09 -1.99 0.08 117.51 125.55 3m1y h ILE 19 Ca 0.12 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 3m1y h ILE 19 Cb 0.47 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.83 3m1y h ILE 19 CO -0.35 0.16 0.00 1.05 -3.07 0.00 0.00 178.15 175.94 3m1y h GLU 20 N 0.88 0.00 0.00 2.19 4.11 -1.92 0.08 114.58 119.92 3m1y h GLU 20 Ca 0.34 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.58 3m1y h GLU 20 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3m1y h GLU 20 CO -0.17 0.00 -0.93 0.77 0.07 0.00 0.00 179.01 178.75 3m1y h SER 21 N 0.00 0.00 -0.18 3.06 0.02 -0.36 -2.07 113.55 114.02 3m1y h SER 21 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3m1y h SER 21 Cb 0.73 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 3m1y h SER 21 CO 0.00 0.93 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.92 3m1y h LEU 22 N 0.00 0.86 -0.59 5.07 4.07 -0.55 -3.06 115.31 121.12 3m1y h LEU 22 Ca -0.01 -0.60 -0.12 0.00 0.08 0.00 0.00 57.88 57.23 3m1y h LEU 22 Cb 1.65 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 43.12 3m1y h LEU 22 CO 0.12 1.32 -0.16 0.00 -1.08 0.00 0.00 178.44 178.64 3m1y h ALA 23 N 0.57 0.79 0.00 1.53 0.00 -0.94 -1.52 119.26 119.68 3m1y h ALA 23 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3m1y h ALA 23 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3m1y h ALA 23 CO 0.13 0.66 0.00 2.89 0.00 0.00 0.00 179.25 182.93 3m1y n ARG 24 N -4.13 0.22 0.01 0.00 1.85 -0.78 0.16 116.66 113.98 3m1y n ARG 24 Ca 0.01 0.40 -0.22 0.00 -1.00 0.00 0.00 57.85 57.05 3m1y n ARG 24 Cb 0.42 -1.88 -0.14 0.00 -1.05 0.00 0.00 32.46 29.81 3m1y n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3m1y h ALA 25 N 2.29 0.31 0.00 2.89 0.00 -1.37 -3.35 119.26 120.03 3m1y h ALA 25 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 54.91 53.56 3m1y h ALA 25 Cb 0.42 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3m1y h ALA 25 CO 0.00 1.10 -0.40 2.35 0.00 0.00 0.00 179.25 182.30 3m1y h TRP 26 N -0.10 0.00 -0.06 0.00 -0.00 -1.03 -3.48 115.95 111.28 3m1y h TRP 26 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.51 3m1y h TRP 26 Cb 1.92 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.08 3m1y h TRP 26 CO 0.09 0.40 0.00 0.41 -0.00 0.00 0.00 178.44 179.34 3m1y n GLY 27 N 0.68 1.48 1.26 2.65 0.00 0.12 -5.00 105.19 106.39 3m1y n GLY 27 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3m1y n GLY 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m1y n VAL 28 N -1.21 0.39 -0.24 1.61 0.31 0.56 -4.89 118.33 114.86 3m1y n VAL 28 Ca 0.00 -1.32 0.05 0.00 -0.01 0.00 0.00 64.34 63.06 3m1y n VAL 28 Cb 0.09 0.74 0.17 0.00 -0.91 0.00 0.00 33.84 33.94 3m1y n VAL 28 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3m1y h PHE 29 N 0.92 0.24 0.72 3.52 3.57 -1.83 -2.58 116.94 121.50 3m1y h PHE 29 Ca -0.17 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 3m1y h PHE 29 Cb 1.70 0.01 0.01 0.00 2.79 0.00 0.00 35.95 40.46 3m1y h PHE 29 CO 0.27 -0.10 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.46 3m1y h ASP 30 N 0.25 -0.82 -0.77 0.41 3.32 -1.90 0.98 116.42 117.89 3m1y h ASP 30 Ca 0.41 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.56 3m1y h ASP 30 Cb 0.69 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 3m1y h ASP 30 CO -0.51 -0.58 0.50 -0.33 -1.72 0.00 0.00 179.24 176.60 3m1y h GLU 31 N -0.99 0.73 -0.02 3.56 5.08 -1.92 -1.99 114.58 119.04 3m1y h GLU 31 Ca -0.10 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3m1y h GLU 31 Cb 0.75 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3m1y h GLU 31 CO 0.16 0.49 -0.09 0.28 -1.00 0.00 0.00 179.01 178.85 3m1y h VAL 32 N 0.76 1.51 -0.37 3.13 2.07 -1.39 -2.84 116.25 119.13 3m1y h VAL 32 Ca 0.34 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 66.33 3m1y h VAL 32 Cb 0.35 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3m1y h VAL 32 CO -0.12 0.44 0.30 0.50 0.02 0.00 0.00 177.57 178.70 3m1y h LYS 33 N -0.54 0.00 0.01 1.57 3.64 -0.48 -1.21 116.57 119.57 3m1y h LYS 33 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3m1y h LYS 33 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3m1y h LYS 33 CO 0.02 0.00 -0.01 1.15 -2.27 0.00 0.00 179.45 178.34 3m1y h THR 34 N 0.00 1.49 -0.98 1.00 2.02 -1.36 -2.99 112.91 112.08 3m1y h THR 34 Ca 0.17 -1.61 0.17 0.00 0.77 0.00 0.00 66.41 65.92 3m1y h THR 34 Cb 0.77 2.56 -0.09 0.00 -1.74 0.00 0.00 68.15 69.64 3m1y h THR 34 CO -0.00 0.41 0.61 0.40 0.37 0.00 0.00 175.52 177.31 3m1y h ILE 35 N -0.72 0.77 -0.22 3.11 2.04 -0.99 0.18 117.51 121.68 3m1y h ILE 35 Ca -0.00 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 3m1y h ILE 35 Cb 0.69 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3m1y h ILE 35 CO 0.00 0.14 -0.29 0.71 0.00 0.00 0.00 178.15 178.72 3m1y h THR 36 N 0.78 1.33 -0.55 -0.27 1.35 -1.48 -2.41 112.91 111.66 3m1y h THR 36 Ca 0.53 -1.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 3m1y h THR 36 Cb 0.81 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 3m1y h THR 36 CO -0.31 0.46 0.28 -0.07 -0.25 0.00 0.00 175.52 175.62 3m1y h LEU 37 N 0.26 0.70 -2.07 3.87 4.07 -1.03 -0.96 115.31 120.15 3m1y h LEU 37 Ca 0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 3m1y h LEU 37 Cb 0.86 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 3m1y h LEU 37 CO 0.07 0.62 -0.05 0.11 -1.08 0.00 0.00 178.44 178.10 3m1y h LYS 38 N 0.73 0.00 -1.65 1.13 1.57 -0.71 -1.65 116.57 116.00 3m1y h LYS 38 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.61 3m1y h LYS 38 Cb 0.09 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.26 3m1y h LYS 38 CO -0.03 0.05 0.38 0.00 -0.57 0.00 0.00 179.45 179.29 3m1y n ALA 39 N -2.17 5.44 -0.22 3.86 0.00 -0.37 -3.29 120.51 123.76 3m1y n ALA 39 Ca -0.01 -1.95 -0.00 0.00 0.00 0.00 0.00 53.44 51.48 3m1y n ALA 39 Cb 0.21 -1.57 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 3m1y n ALA 39 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3m1y n ASN 41 N 0.54 -0.19 0.00 0.00 0.23 -0.62 -4.57 115.26 110.65 3m1y n ASN 41 Ca 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 3m1y n ASN 41 Cb 0.58 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 3m1y n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3m1y n GLY 42 N 0.02 1.12 0.00 4.83 0.00 -1.26 -5.23 105.19 104.67 3m1y n GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3m1y n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m1y n THR 44 N -0.33 0.00 -1.67 2.61 -2.24 -1.21 -5.03 114.28 106.40 3m1y n THR 44 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 3m1y n THR 44 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 3m1y n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3m1y n ASP 45 N 0.00 1.44 -0.14 3.42 4.64 -1.26 -4.70 116.55 119.95 3m1y n ASP 45 Ca 0.00 0.83 -0.09 0.00 -1.38 0.00 0.00 54.79 54.14 3m1y n ASP 45 Cb 0.00 -1.47 -0.01 0.00 -1.04 0.00 0.00 41.12 38.60 3m1y n ASP 45 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 3m1y h PHE 46 N 0.57 0.70 0.28 -0.67 3.57 -1.96 -0.81 116.94 118.62 3m1y h PHE 46 Ca -0.50 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 60.92 3m1y h PHE 46 Cb 1.35 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3m1y h PHE 46 CO 0.39 0.65 -0.50 1.25 -2.23 0.00 0.00 178.31 177.87 3m1y h HIS 47 N 0.54 -1.43 -0.98 0.41 2.76 -1.93 0.10 115.15 114.62 3m1y h HIS 47 Ca 0.13 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.43 3m1y h HIS 47 Cb 0.30 0.59 -0.08 0.00 1.55 0.00 0.00 27.41 29.77 3m1y h HIS 47 CO 0.02 -0.61 0.63 0.87 -1.30 0.00 0.00 177.93 177.53 3m1y h LYS 48 N -0.84 1.00 -0.88 5.26 1.79 -1.92 -0.36 116.57 120.62 3m1y h LYS 48 Ca -0.03 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3m1y h LYS 48 Cb 0.78 -0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 3m1y h LYS 48 CO -0.18 0.66 0.58 0.77 -1.08 0.00 0.00 179.45 180.20 3m1y h SER 49 N 1.03 0.94 0.12 0.86 0.02 -0.41 -1.09 113.55 115.03 3m1y h SER 49 Ca 0.46 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3m1y h SER 49 Cb 0.38 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3m1y h SER 49 CO -0.22 0.64 -0.06 0.25 -1.14 0.00 0.00 176.83 176.31 3m1y h LEU 50 N 1.09 -0.14 -0.66 5.07 5.85 0.73 -2.67 115.31 124.58 3m1y h LEU 50 Ca 0.35 -0.32 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 3m1y h LEU 50 Cb 0.04 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3m1y h LEU 50 CO -0.11 0.26 -0.42 0.16 -0.34 0.00 0.00 178.44 178.00 3m1y h ILE 51 N -0.56 1.30 -0.49 4.05 3.07 -1.28 -1.68 117.51 121.91 3m1y h ILE 51 Ca -0.02 -1.59 -0.09 0.00 1.55 0.00 0.00 64.86 64.72 3m1y h ILE 51 Cb 0.45 1.57 -0.02 0.00 -0.27 0.00 0.00 36.82 38.55 3m1y h ILE 51 CO 0.03 0.50 -0.02 -0.07 -1.05 0.00 0.00 178.15 177.53 3m1y h LEU 52 N 0.46 0.88 -0.57 0.16 3.38 -1.29 0.27 115.31 118.59 3m1y h LEU 52 Ca 0.04 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 3m1y h LEU 52 Cb 0.92 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3m1y h LEU 52 CO 0.08 0.98 -0.14 0.03 0.09 0.00 0.00 178.44 179.49 3m1y h ARG 53 N 0.75 1.00 -0.10 1.13 3.08 -1.39 -2.86 114.38 115.99 3m1y h ARG 53 Ca 0.14 -0.38 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 3m1y h ARG 53 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3m1y h ARG 53 CO 0.03 1.06 -0.55 0.28 -1.07 0.00 0.00 179.97 179.72 3m1y h VAL 54 N 0.88 1.36 0.00 2.04 2.07 -1.19 -2.63 116.25 118.78 3m1y h VAL 54 Ca 0.13 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3m1y h VAL 54 Cb 0.70 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3m1y h VAL 54 CO 0.05 0.55 0.00 -1.54 0.02 0.00 0.00 177.57 176.65 3m1y n SER 55 N -3.92 0.60 -0.07 0.57 3.41 0.07 -0.58 113.62 113.71 3m1y n SER 55 Ca -0.02 0.74 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 3m1y n SER 55 Cb 0.58 -0.83 0.58 0.00 -0.26 0.00 0.00 64.21 64.27 3m1y n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m1y n LYS 56 N -2.27 0.43 -0.42 4.33 4.76 -0.99 -3.51 118.16 120.49 3m1y n LYS 56 Ca -0.00 -0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.42 3m1y n LYS 56 Cb 0.09 -1.50 0.33 0.00 -1.84 0.00 0.00 35.03 32.11 3m1y n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m1y n LEU 57 N -1.17 4.06 -4.67 -0.35 4.32 0.26 -4.95 117.00 114.50 3m1y n LEU 57 Ca 0.12 -2.04 -0.44 0.00 -0.02 0.00 0.00 56.01 53.63 3m1y n LEU 57 Cb 0.29 -0.51 -0.02 0.00 -1.62 0.00 0.00 43.42 41.56 3m1y n LEU 57 CO 0.26 0.95 1.01 1.17 -1.22 0.00 0.00 177.39 179.56 3m1y n LYS 58 N 1.56 2.06 -1.46 3.23 4.81 -1.23 -4.65 118.16 122.48 3m1y n LYS 58 Ca 0.25 0.73 -0.00 0.00 -0.87 0.00 0.00 58.31 58.41 3m1y n LYS 58 Cb 0.66 -2.39 -0.00 0.00 0.02 0.00 0.00 35.03 33.32 3m1y n LYS 58 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3m1y n ASN 59 N 2.05 -2.16 -4.38 3.14 3.02 0.21 -4.99 115.26 112.17 3m1y n ASN 59 Ca 0.11 0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.50 3m1y n ASN 59 Cb 0.32 -1.48 -0.14 0.00 -0.61 0.00 0.00 39.78 37.87 3m1y n ASN 59 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3m1y s PRO 61 N -1.27 3.10 0.44 3.52 0.02 -1.26 -4.70 135.00 134.85 3m1y s PRO 61 Ca -0.02 -0.72 0.15 0.00 0.02 0.00 0.00 61.00 60.43 3m1y s PRO 61 Cb 0.00 -2.52 0.98 0.00 0.02 0.00 0.00 34.50 32.99 3m1y s PRO 61 CO 0.06 0.32 1.97 1.25 -0.33 0.00 0.00 177.00 180.26 3m1y h LEU 62 N 6.35 0.00 -0.39 -5.54 5.85 -1.25 -2.16 115.31 118.17 3m1y h LEU 62 Ca -0.30 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3m1y h LEU 62 Cb 1.20 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3m1y h LEU 62 CO 0.53 0.21 0.18 0.50 -0.34 0.00 0.00 178.44 179.53 3m1y h LYS 63 N 0.00 0.36 -7.66 1.25 3.64 -1.99 -2.82 116.57 109.34 3m1y h LYS 63 Ca -0.00 -0.02 -0.44 0.00 -1.27 0.00 0.00 60.65 58.92 3m1y h LYS 63 Cb 0.39 -0.08 0.17 0.00 -0.41 0.00 0.00 32.23 32.30 3m1y h LYS 63 CO 0.03 0.24 0.32 -1.17 -2.27 0.00 0.00 179.45 176.60 3m1y s LEU 64 N -10.27 1.99 0.00 5.20 2.96 -0.81 -2.03 118.68 115.72 3m1y s LEU 64 Ca -0.13 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3m1y s LEU 64 Cb 0.12 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.42 3m1y s LEU 64 CO 0.72 -3.18 0.00 0.00 -1.32 0.00 0.00 176.35 172.57 3m1y n ALA 65 N -4.10 0.00 0.10 5.97 0.00 -1.26 -4.05 120.51 117.17 3m1y n ALA 65 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 3m1y n ALA 65 Cb 0.59 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.21 3m1y n ALA 65 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3m1y h LYS 66 N 0.00 0.20 0.07 0.00 3.64 -1.50 0.29 116.57 119.26 3m1y h LYS 66 Ca 0.00 -0.12 -0.27 0.00 -1.27 0.00 0.00 60.65 58.99 3m1y h LYS 66 Cb 0.00 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3m1y h LYS 66 CO 0.00 0.69 -1.12 1.49 -2.27 0.00 0.00 179.45 178.24 3m1y h GLU 67 N 0.15 0.52 0.31 1.90 4.81 -1.55 -2.97 114.58 117.76 3m1y h GLU 67 Ca 0.00 -0.65 -0.02 0.00 -0.13 0.00 0.00 59.36 58.57 3m1y h GLU 67 Cb 1.01 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3m1y h GLU 67 CO 0.08 1.26 -0.15 0.28 -0.73 0.00 0.00 179.01 179.76 3m1y h VAL 68 N 0.25 0.72 -0.14 0.32 2.07 -1.79 -2.92 116.25 114.76 3m1y h VAL 68 Ca -0.14 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3m1y h VAL 68 Cb 1.79 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3m1y h VAL 68 CO 0.21 0.06 0.21 0.00 0.02 0.00 0.00 177.57 178.07 3m1y n GLU 70 N -3.56 2.76 -0.03 0.00 1.02 -1.12 -4.17 120.64 115.54 3m1y n GLU 70 Ca 0.01 -2.61 0.02 0.00 -0.02 0.00 0.00 57.16 54.55 3m1y n GLU 70 Cb 0.32 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.22 3m1y n GLU 70 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3m1y n SER 71 N 1.53 1.77 -4.72 1.62 7.64 -0.16 -5.03 113.62 116.27 3m1y n SER 71 Ca 0.23 -2.08 -0.42 0.00 1.01 0.00 0.00 58.87 57.61 3m1y n SER 71 Cb 0.61 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 3m1y n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m1y s LEU 72 N -1.19 4.38 0.23 -3.43 1.43 -1.18 -4.96 118.68 113.97 3m1y s LEU 72 Ca 0.06 2.26 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 3m1y s LEU 72 Cb 0.05 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 3m1y s LEU 72 CO 0.01 -0.58 1.42 -2.16 0.23 0.00 0.00 176.35 175.26 3m1y s PRO 73 N 0.90 4.29 0.20 1.29 0.04 -1.26 -4.92 135.00 135.53 3m1y s PRO 73 Ca 0.62 2.25 -0.10 0.00 0.04 0.00 0.00 61.00 63.81 3m1y s PRO 73 Cb -0.35 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 3m1y s PRO 73 CO 0.31 -0.39 0.52 -0.51 0.04 0.00 0.00 177.00 176.96 3m1y s LEU 74 N -0.24 4.22 0.35 -3.56 1.02 -1.26 -0.01 118.68 119.19 3m1y s LEU 74 Ca 0.59 0.89 -0.27 0.00 0.02 0.00 0.00 54.13 55.37 3m1y s LEU 74 Cb -0.41 -3.53 -0.09 0.00 0.02 0.00 0.00 46.19 42.18 3m1y s LEU 74 CO 0.42 -0.01 1.10 -0.36 0.02 0.00 0.00 176.35 177.51 3m1y s PHE 75 N -1.72 3.36 0.63 0.29 0.08 -0.38 -4.66 117.98 115.58 3m1y s PHE 75 Ca 0.44 1.65 -0.18 0.00 0.12 0.00 0.00 56.93 58.96 3m1y s PHE 75 Cb -0.12 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.05 3m1y s PHE 75 CO 0.21 -0.75 1.19 0.39 -0.10 0.00 0.00 175.22 176.16 3m1y n GLU 76 N 0.50 1.07 0.00 0.44 1.02 -1.26 -2.48 120.64 119.94 3m1y n GLU 76 Ca 0.02 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3m1y n GLU 76 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 3m1y n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m1y n GLY 77 N 1.03 2.52 0.10 0.62 0.00 -1.26 -1.58 105.19 106.62 3m1y n GLY 77 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3m1y n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1y h ALA 78 N 0.00 -0.46 -0.78 4.61 0.00 -1.84 0.43 119.26 121.22 3m1y h ALA 78 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3m1y h ALA 78 Cb 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3m1y h ALA 78 CO 0.00 -0.51 0.48 1.25 0.00 0.00 0.00 179.25 180.47 3m1y h LEU 79 N -0.11 0.75 -0.78 0.00 5.85 -1.92 -1.55 115.31 117.56 3m1y h LEU 79 Ca 0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3m1y h LEU 79 Cb 0.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3m1y h LEU 79 CO -0.11 0.49 0.38 -0.08 -0.34 0.00 0.00 178.44 178.78 3m1y h GLU 80 N 0.88 1.11 -0.28 1.25 4.81 -1.89 -1.04 114.58 119.42 3m1y h GLU 80 Ca 0.34 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3m1y h GLU 80 Cb 0.14 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3m1y h GLU 80 CO -0.16 0.85 -0.15 1.25 -0.73 0.00 0.00 179.01 180.07 3m1y h LEU 81 N 1.09 0.62 -0.94 1.64 6.46 0.28 -1.40 115.31 123.06 3m1y h LEU 81 Ca 0.27 -0.42 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 3m1y h LEU 81 Cb 0.10 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 3m1y h LEU 81 CO -0.04 0.90 0.19 0.58 -0.62 0.00 0.00 178.44 179.45 3m1y h VAL 82 N 0.34 1.24 -0.34 1.05 2.07 -1.09 0.27 116.25 119.78 3m1y h VAL 82 Ca 0.06 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 3m1y h VAL 82 Cb 0.68 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3m1y h VAL 82 CO 0.04 0.32 -0.28 0.28 0.02 0.00 0.00 177.57 177.95 3m1y h SER 83 N 0.93 0.73 0.30 0.57 0.02 -1.09 -1.18 113.55 113.83 3m1y h SER 83 Ca 0.21 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3m1y h SER 83 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3m1y h SER 83 CO -0.01 0.97 -0.35 0.00 -1.14 0.00 0.00 176.83 176.30 3m1y h ALA 84 N 1.08 1.34 -0.04 3.77 0.00 -0.67 -1.07 119.26 123.67 3m1y h ALA 84 Ca 0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3m1y h ALA 84 Cb 0.79 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3m1y h ALA 84 CO 0.06 0.48 -0.36 -0.07 0.00 0.00 0.00 179.25 179.37 3m1y h LEU 85 N 0.07 0.38 -1.11 0.00 3.38 -0.39 -3.11 115.31 114.52 3m1y h LEU 85 Ca 0.01 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 3m1y h LEU 85 Cb 0.66 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3m1y h LEU 85 CO 0.05 1.02 0.19 0.11 0.09 0.00 0.00 178.44 179.91 3m1y h LYS 86 N -0.23 0.82 -0.11 1.13 1.57 -1.10 -1.46 116.57 117.19 3m1y h LYS 86 Ca -0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3m1y h LYS 86 Cb 1.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3m1y h LYS 86 CO 0.07 0.70 -0.04 1.05 -0.57 0.00 0.00 179.45 180.66 3m1y h GLU 87 N 0.80 0.15 -0.78 3.15 4.11 -1.25 -0.45 114.58 120.32 3m1y h GLU 87 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3m1y h GLU 87 Cb 0.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3m1y h GLU 87 CO -0.01 0.21 0.00 1.63 0.07 0.00 0.00 179.01 180.91 3m1y n LYS 88 N -4.40 3.02 -3.26 1.06 4.01 -0.64 -4.90 118.16 113.05 3m1y n LYS 88 Ca -0.01 -1.63 -0.17 0.00 -0.51 0.00 0.00 58.31 55.99 3m1y n LYS 88 Cb 0.18 -1.90 0.06 0.00 -0.51 0.00 0.00 35.03 32.86 3m1y n LYS 88 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3m1y n ASN 89 N 0.33 -4.37 -4.76 4.39 4.05 -0.18 -4.80 115.26 109.92 3m1y n ASN 89 Ca 0.14 -0.42 -0.32 0.00 0.45 0.00 0.00 54.58 54.43 3m1y n ASN 89 Cb 0.74 -3.94 -0.07 0.00 1.23 0.00 0.00 39.78 37.74 3m1y n ASN 89 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3m1y s TYR 90 N -3.25 3.20 -0.05 1.20 2.02 -0.69 -1.88 117.35 117.91 3m1y s TYR 90 Ca 0.32 0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.96 3m1y s TYR 90 Cb -0.14 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 3m1y s TYR 90 CO 0.55 0.52 0.48 0.15 -1.57 0.00 0.00 175.55 175.69 3m1y s LYS 91 N -2.04 4.20 -0.13 -0.62 -0.14 -0.25 -4.22 119.74 116.55 3m1y s LYS 91 Ca 0.26 0.51 0.02 0.00 -1.36 0.00 0.00 55.97 55.39 3m1y s LYS 91 Cb -0.12 -3.34 -0.00 0.00 -1.68 0.00 0.00 37.83 32.69 3m1y s LYS 91 CO 0.17 0.39 -0.18 0.08 -0.76 0.00 0.00 175.35 175.05 3m1y s VAL 92 N -0.16 2.50 0.09 3.17 1.01 -1.26 -0.23 120.40 125.52 3m1y s VAL 92 Ca 0.26 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3m1y s VAL 92 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3m1y s VAL 92 CO 0.13 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 175.02 3m1y s VAL 93 N 0.53 0.58 -0.08 2.92 1.01 0.82 -1.18 120.40 125.01 3m1y s VAL 93 Ca -0.12 -1.88 0.02 0.00 0.00 0.00 0.00 61.98 60.00 3m1y s VAL 93 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3m1y s VAL 93 CO 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 175.10 174.12 3m1y s PHE 95 N 0.77 2.93 -0.22 0.00 0.08 -0.03 -0.18 117.98 121.32 3m1y s PHE 95 Ca -0.12 0.00 -0.12 0.00 0.12 0.00 0.00 56.93 56.81 3m1y s PHE 95 Cb -0.16 -1.66 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 3m1y s PHE 95 CO 0.02 0.37 0.54 0.45 -0.10 0.00 0.00 175.22 176.50 3m1y s SER 96 N -1.15 -0.72 0.00 1.36 0.15 -0.44 -2.86 113.70 110.04 3m1y s SER 96 Ca 0.15 1.18 0.16 0.00 0.70 0.00 0.00 55.95 58.15 3m1y s SER 96 Cb -0.11 1.06 0.98 0.00 -1.71 0.00 0.00 66.02 66.24 3m1y s SER 96 CO 0.05 -0.21 1.40 0.61 1.20 0.00 0.00 173.24 176.28 3m1y n GLY 97 N 4.30 -0.58 0.00 9.45 0.00 -1.26 -3.80 105.19 113.30 3m1y n GLY 97 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3m1y n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1y n GLY 98 N 0.15 1.02 3.25 -0.02 0.00 -1.26 -4.63 105.19 103.69 3m1y n GLY 98 Ca 0.12 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 3m1y n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m1y s PHE 99 N 0.35 2.12 0.15 1.61 0.08 -1.26 0.15 117.98 121.18 3m1y s PHE 99 Ca 0.00 -0.49 0.32 0.00 0.12 0.00 0.00 56.93 56.88 3m1y s PHE 99 Cb 0.00 -1.38 1.68 0.00 -0.57 0.00 0.00 43.02 42.75 3m1y s PHE 99 CO 0.00 -0.10 1.99 0.38 -0.10 0.00 0.00 175.22 177.39 3m1y h ASP 100 N 5.79 0.00 -0.45 1.36 3.04 -1.25 0.35 116.42 125.25 3m1y h ASP 100 Ca -0.37 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.46 3m1y h ASP 100 Cb 1.15 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.41 3m1y h ASP 100 CO 0.47 0.00 0.30 0.25 -2.04 0.00 0.00 179.24 178.23 3m1y h LEU 101 N 0.00 0.37 0.02 0.15 5.85 -1.95 -0.35 115.31 119.40 3m1y h LEU 101 Ca 0.00 -0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 3m1y h LEU 101 Cb 0.10 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3m1y h LEU 101 CO 0.00 0.25 -2.28 0.00 -0.34 0.00 0.00 178.44 176.08 3m1y n ALA 102 N -2.50 1.18 0.16 1.25 0.00 -0.00 -4.38 120.51 116.21 3m1y n ALA 102 Ca 0.05 -0.95 0.02 0.00 0.00 0.00 0.00 53.44 52.56 3m1y n ALA 102 Cb 0.20 -0.15 0.37 0.00 0.00 0.00 0.00 19.45 19.87 3m1y n ALA 102 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3m1y h THR 103 N -0.53 1.23 -0.66 0.00 1.35 -1.16 -2.50 112.91 110.66 3m1y h THR 103 Ca -0.58 -1.11 -0.09 0.00 -0.55 0.00 0.00 66.41 64.09 3m1y h THR 103 Cb 1.72 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 3m1y h THR 103 CO -0.22 0.32 0.07 0.78 -0.25 0.00 0.00 175.52 176.22 3m1y h ASN 104 N 0.08 1.07 -0.20 5.36 2.35 -1.30 0.40 115.58 123.35 3m1y h ASN 104 Ca 0.01 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3m1y h ASN 104 Cb 0.57 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3m1y h ASN 104 CO 0.04 1.08 0.13 -0.74 -1.65 0.00 0.00 177.43 176.29 3m1y h HIS 105 N 1.03 0.25 0.00 1.19 2.76 -1.64 -2.33 115.15 116.41 3m1y h HIS 105 Ca 0.19 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 3m1y h HIS 105 Cb 0.49 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3m1y h HIS 105 CO 0.04 0.17 -0.61 1.88 -1.30 0.00 0.00 177.93 178.11 3m1y h TYR 106 N 0.26 0.00 -0.45 5.26 0.05 -1.40 -0.69 116.97 120.00 3m1y h TYR 106 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3m1y h TYR 106 Cb -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3m1y h TYR 106 CO -0.06 0.61 0.30 -0.09 -1.05 0.00 0.00 178.16 177.87 3m1y h ARG 107 N 0.00 0.59 -0.10 4.88 2.43 -0.73 0.23 114.38 121.68 3m1y h ARG 107 Ca -0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3m1y h ARG 107 Cb 1.34 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3m1y h ARG 107 CO 0.08 0.40 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.29 3m1y h ASP 108 N 0.61 0.36 -0.62 -3.80 3.32 -1.35 0.29 116.42 115.22 3m1y h ASP 108 Ca 0.16 -0.56 0.08 0.00 0.02 0.00 0.00 57.03 56.73 3m1y h ASP 108 Cb -0.07 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 3m1y h ASP 108 CO -0.04 0.86 0.29 0.25 -1.72 0.00 0.00 179.24 178.88 3m1y h LEU 109 N -0.12 0.36 0.00 1.55 5.85 -0.91 -2.11 115.31 119.94 3m1y h LEU 109 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3m1y h LEU 109 Cb 0.80 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3m1y h LEU 109 CO 0.05 0.22 -0.33 0.18 -0.34 0.00 0.00 178.44 178.22 3m1y n LEU 110 N -4.91 0.33 -2.42 2.25 4.32 0.78 -4.96 117.00 112.39 3m1y n LEU 110 Ca 0.08 0.18 -0.15 0.00 -0.02 0.00 0.00 56.01 56.10 3m1y n LEU 110 Cb 0.23 -0.33 0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3m1y n LEU 110 CO 0.25 0.08 0.15 1.41 -1.22 0.00 0.00 177.39 178.06 3m1y n HIS 111 N -1.52 -1.79 -2.35 -1.77 8.25 0.08 -4.84 115.22 111.28 3m1y n HIS 111 Ca 0.06 0.63 -0.34 0.00 -0.26 0.00 0.00 57.72 57.81 3m1y n HIS 111 Cb 0.34 -3.53 -0.01 0.00 1.12 0.00 0.00 29.99 27.91 3m1y n HIS 111 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m1y s LEU 112 N -4.94 3.73 0.43 2.41 1.02 0.80 -4.94 118.68 117.18 3m1y s LEU 112 Ca 0.36 1.95 0.23 0.00 0.02 0.00 0.00 54.13 56.70 3m1y s LEU 112 Cb -0.16 -4.56 0.76 0.00 0.02 0.00 0.00 46.19 42.25 3m1y s LEU 112 CO 0.45 -0.99 1.76 0.44 0.02 0.00 0.00 176.35 178.03 3m1y h ASP 113 N 1.18 0.00 -4.31 2.29 3.32 -1.47 -3.45 116.42 113.98 3m1y h ASP 113 Ca -0.49 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.70 3m1y h ASP 113 Cb 1.23 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 3m1y h ASP 113 CO 0.58 0.22 0.60 0.00 -1.72 0.00 0.00 179.24 178.92 3m1y s ALA 114 N -3.49 -1.93 -0.04 3.45 0.00 -1.23 -5.05 121.76 113.47 3m1y s ALA 114 Ca 0.02 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 3m1y s ALA 114 Cb 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.08 3m1y s ALA 114 CO 0.65 -0.52 0.08 0.00 0.00 0.00 0.00 175.76 175.97 3m1y s ALA 115 N -2.21 0.02 -0.17 0.00 0.00 -1.26 -1.75 121.76 116.39 3m1y s ALA 115 Ca 0.04 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3m1y s ALA 115 Cb -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3m1y s ALA 115 CO -0.05 -0.30 -0.19 -0.06 0.00 0.00 0.00 175.76 175.17 3m1y s PHE 116 N 1.60 2.76 0.00 0.00 0.08 0.75 -4.95 117.98 118.22 3m1y s PHE 116 Ca -0.03 -1.44 0.00 0.00 0.12 0.00 0.00 56.93 55.58 3m1y s PHE 116 Cb -0.12 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 3m1y s PHE 116 CO -0.04 -0.70 0.00 -1.13 -0.10 0.00 0.00 175.22 173.25 3m1y n SER 117 N 4.41 0.00 -4.96 1.36 3.41 -1.26 -1.33 113.62 115.25 3m1y n SER 117 Ca -0.20 -0.82 -0.22 0.00 -0.26 0.00 0.00 58.87 57.37 3m1y n SER 117 Cb 0.51 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3m1y n SER 117 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3m1y s ASN 118 N -0.48 5.50 -0.15 4.04 0.01 0.12 -3.08 114.94 120.91 3m1y s ASN 118 Ca 0.00 0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.27 3m1y s ASN 118 Cb 0.00 -1.14 -0.00 0.00 0.41 0.00 0.00 41.25 40.52 3m1y s ASN 118 CO 0.00 -0.96 -0.17 -0.89 -1.51 0.00 0.00 177.10 173.57 3m1y s THR 119 N -2.68 2.56 -0.28 1.60 2.01 0.18 -0.78 115.64 118.25 3m1y s THR 119 Ca 0.54 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 3m1y s THR 119 Cb -0.10 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3m1y s THR 119 CO 0.38 0.52 0.93 -0.76 -0.69 0.00 0.00 174.62 175.01 3m1y s LEU 120 N 0.74 4.04 0.07 4.42 1.43 -1.26 -2.35 118.68 125.78 3m1y s LEU 120 Ca -0.07 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 3m1y s LEU 120 Cb -0.16 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3m1y s LEU 120 CO 0.01 -0.69 1.16 -0.63 0.23 0.00 0.00 176.35 176.42 3m1y s ILE 121 N 3.20 4.10 -0.21 -0.59 1.01 -0.87 -4.97 121.20 122.87 3m1y s ILE 121 Ca 0.39 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.53 3m1y s ILE 121 Cb -0.14 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3m1y s ILE 121 CO 0.11 0.14 0.04 -0.69 0.00 0.00 0.00 174.94 174.54 3m1y s VAL 122 N 0.85 4.25 -0.64 2.92 1.01 -1.26 -1.15 120.40 126.37 3m1y s VAL 122 Ca 0.56 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 3m1y s VAL 122 Cb -0.28 -2.94 0.17 0.00 0.00 0.00 0.00 36.38 33.32 3m1y s VAL 122 CO 0.30 0.41 0.52 -0.70 0.00 0.00 0.00 175.10 175.62 3m1y s GLU 123 N 1.05 2.86 -0.46 2.72 2.56 0.88 -4.79 118.70 123.51 3m1y s GLU 123 Ca 0.03 -2.29 -0.33 0.00 0.00 0.00 0.00 54.97 52.38 3m1y s GLU 123 Cb -0.14 -4.01 0.05 0.00 2.00 0.00 0.00 34.13 32.03 3m1y s GLU 123 CO 0.02 -1.22 0.65 0.09 -0.56 0.00 0.00 175.26 174.25 3m1y n ASN 124 N 4.05 -5.95 0.00 -1.70 3.02 -1.26 -2.95 115.26 110.47 3m1y n ASN 124 Ca 0.05 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3m1y n ASN 124 Cb 0.41 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 3m1y n ASN 124 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3m1y n ASP 125 N -0.31 0.00 -4.19 6.41 -0.08 -1.26 -4.97 116.55 112.15 3m1y n ASP 125 Ca -0.06 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.11 3m1y n ASP 125 Cb 0.64 -0.74 -0.10 0.00 2.34 0.00 0.00 41.12 43.26 3m1y n ASP 125 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3m1y s ALA 126 N -2.74 1.09 0.22 -1.67 0.00 -1.15 -0.72 121.76 116.78 3m1y s ALA 126 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 3m1y s ALA 126 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 3m1y s ALA 126 CO 0.00 -0.21 1.23 -0.51 0.00 0.00 0.00 175.76 176.28 3m1y s LEU 127 N -3.07 4.45 0.02 0.00 1.02 -1.26 -0.09 118.68 119.75 3m1y s LEU 127 Ca 0.13 2.35 -0.17 0.00 0.02 0.00 0.00 54.13 56.46 3m1y s LEU 127 Cb 0.05 -3.62 -0.28 0.00 0.02 0.00 0.00 46.19 42.36 3m1y s LEU 127 CO -0.04 -0.41 1.06 -1.13 0.02 0.00 0.00 176.35 175.86 3m1y h ASN 128 N 4.86 0.73 0.00 2.29 -0.73 -1.43 0.63 115.58 121.93 3m1y h ASN 128 Ca -0.45 -0.83 0.00 0.00 1.87 0.00 0.00 56.30 56.88 3m1y h ASN 128 Cb 1.22 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.58 3m1y h ASN 128 CO 0.73 1.48 0.00 0.61 -0.37 0.00 0.00 177.43 179.89 3m1y n GLY 129 N 1.36 0.73 3.80 1.57 0.00 -1.26 -4.52 105.19 106.87 3m1y n GLY 129 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3m1y n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1y s LEU 130 N 0.00 3.58 -0.16 0.99 1.02 -1.26 -2.34 118.68 120.50 3m1y s LEU 130 Ca 0.00 -0.47 -0.26 0.00 0.02 0.00 0.00 54.13 53.42 3m1y s LEU 130 Cb 0.00 -2.13 0.07 0.00 0.02 0.00 0.00 46.19 44.14 3m1y s LEU 130 CO 0.00 -0.19 0.66 0.54 0.02 0.00 0.00 176.35 177.37 3m1y s VAL 131 N -2.27 0.00 0.25 -1.59 0.11 -1.26 -2.04 120.40 113.60 3m1y s VAL 131 Ca 0.36 -0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.31 3m1y s VAL 131 Cb -0.06 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3m1y s VAL 131 CO 0.25 -0.01 0.37 0.28 -3.33 0.00 0.00 175.10 172.65 3m1y s THR 132 N -0.35 0.00 -5.00 5.04 -1.32 -0.99 -4.97 115.64 108.05 3m1y s THR 132 Ca -0.05 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 3m1y s THR 132 Cb -0.03 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 3m1y s THR 132 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 3m1y n GLY 133 N -0.37 0.66 1.87 6.08 0.00 -1.26 0.50 105.19 112.66 3m1y n GLY 133 Ca -0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3m1y n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m1y n HIS 134 N 9.00 0.00 -1.18 1.61 8.25 -1.18 -4.95 115.22 126.77 3m1y n HIS 134 Ca 0.00 -0.26 0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3m1y n HIS 134 Cb 0.00 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 30.74 3m1y n HIS 134 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m1y n PHE 137 N 1.87 -2.70 1.93 4.41 3.72 -1.26 -4.93 117.46 120.49 3m1y n PHE 137 Ca 0.00 1.44 0.08 0.00 -0.05 0.00 0.00 57.45 58.91 3m1y n PHE 137 Cb 0.13 -2.46 0.46 0.00 -0.94 0.00 0.00 39.48 36.67 3m1y n PHE 137 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3m1y n SER 138 N -4.19 0.00 -0.04 4.37 3.41 -1.26 -2.54 113.62 113.37 3m1y n SER 138 Ca -0.04 -1.45 0.01 0.00 -0.26 0.00 0.00 58.87 57.13 3m1y n SER 138 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 3m1y n SER 138 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3m1y n HIS 139 N -0.75 0.00 -0.35 7.33 8.25 -1.26 -4.75 115.22 123.69 3m1y n HIS 139 Ca 0.12 -0.29 -0.03 0.00 -0.26 0.00 0.00 57.72 57.25 3m1y n HIS 139 Cb 0.05 -0.04 0.09 0.00 1.12 0.00 0.00 29.99 31.22 3m1y n HIS 139 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3m1y h SER 140 N 0.00 1.14 -0.31 0.41 0.02 -1.85 -1.59 113.55 111.36 3m1y h SER 140 Ca 0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3m1y h SER 140 Cb 0.81 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3m1y h SER 140 CO 0.00 0.89 0.16 0.11 -1.14 0.00 0.00 176.83 176.85 3m1y h LYS 141 N 1.30 0.45 -0.47 3.45 1.57 -1.85 -2.84 116.57 118.17 3m1y h LYS 141 Ca 0.33 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3m1y h LYS 141 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3m1y h LYS 141 CO -0.06 0.40 0.01 0.78 -0.57 0.00 0.00 179.45 180.02 3m1y h GLY 142 N 0.38 0.83 -1.43 3.86 0.00 -1.61 -0.17 103.07 104.92 3m1y h GLY 142 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3m1y h GLY 142 CO -0.02 0.50 0.00 1.18 0.00 0.00 0.00 176.54 178.20 3m1y n GLU 143 N -4.23 0.40 0.00 4.80 1.02 -0.62 -2.05 120.64 119.96 3m1y n GLU 143 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3m1y n GLU 143 Cb 0.29 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3m1y n GLU 143 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3m1y n LEU 145 N 0.52 0.00 -0.33 -4.62 7.94 -0.08 -1.36 117.00 119.07 3m1y n LEU 145 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3m1y n LEU 145 Cb 0.14 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.28 3m1y n LEU 145 CO 0.00 0.00 1.20 -0.07 -1.11 0.00 0.00 177.39 177.41 3m1y h LEU 146 N 0.00 0.84 -0.03 -1.96 4.07 -1.68 0.22 115.31 116.77 3m1y h LEU 146 Ca 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3m1y h LEU 146 Cb 0.00 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 3m1y h LEU 146 CO 0.00 0.48 0.01 0.58 -1.08 0.00 0.00 178.44 178.43 3m1y h VAL 147 N 0.94 1.14 -0.40 1.22 2.07 -1.49 -0.83 116.25 118.90 3m1y h VAL 147 Ca 0.44 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3m1y h VAL 147 Cb 0.36 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3m1y h VAL 147 CO -0.24 0.11 0.21 -0.07 0.02 0.00 0.00 177.57 177.61 3m1y h LEU 148 N -0.12 0.48 -0.40 2.57 4.07 -1.56 -0.90 115.31 119.45 3m1y h LEU 148 Ca 0.01 -0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.76 3m1y h LEU 148 Cb 0.17 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 3m1y h LEU 148 CO -0.00 0.40 -0.57 1.56 -1.08 0.00 0.00 178.44 178.75 3m1y h GLN 149 N 0.55 0.71 -0.48 1.13 4.20 -0.32 -1.74 115.11 119.15 3m1y h GLN 149 Ca 0.14 -0.46 -0.06 0.00 0.06 0.00 0.00 58.65 58.34 3m1y h GLN 149 Cb 0.03 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3m1y h GLN 149 CO -0.02 1.08 0.08 -0.09 -0.67 0.00 0.00 178.83 179.20 3m1y h ARG 150 N 0.54 0.80 -0.11 1.46 9.65 -0.56 -1.86 114.38 124.30 3m1y h ARG 150 Ca 0.01 -0.22 -0.18 0.00 -1.10 0.00 0.00 59.98 58.49 3m1y h ARG 150 Cb 1.15 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 3m1y h ARG 150 CO 0.12 0.81 -0.69 1.25 2.80 0.00 0.00 179.97 184.25 3m1y h LEU 151 N 0.67 0.55 -0.56 3.80 5.85 -1.08 -3.19 115.31 121.36 3m1y h LEU 151 Ca 0.15 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3m1y h LEU 151 Cb 0.39 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3m1y h LEU 151 CO 0.01 1.08 -0.36 0.18 -0.34 0.00 0.00 178.44 179.01 3m1y n LEU 152 N -3.88 1.24 -3.45 2.25 4.32 -0.66 -4.97 117.00 111.86 3m1y n LEU 152 Ca -0.04 -0.38 -0.21 0.00 -0.02 0.00 0.00 56.01 55.35 3m1y n LEU 152 Cb 0.69 -0.10 0.06 0.00 -1.62 0.00 0.00 43.42 42.45 3m1y n LEU 152 CO 0.48 0.24 -0.01 -3.20 -1.22 0.00 0.00 177.39 173.68 3m1y n ASN 153 N -0.59 -5.57 -4.03 -1.43 5.15 -0.75 -5.01 115.26 103.03 3m1y n ASN 153 Ca 0.11 -0.82 -0.25 0.00 -0.60 0.00 0.00 54.58 53.01 3m1y n ASN 153 Cb 0.38 -4.47 -0.17 0.00 -0.53 0.00 0.00 39.78 34.99 3m1y n ASN 153 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m1y s ILE 154 N -3.44 1.19 0.93 -1.44 1.01 -0.92 -5.06 121.20 113.46 3m1y s ILE 154 Ca 0.41 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 3m1y s ILE 154 Cb -0.09 -1.09 0.18 0.00 0.01 0.00 0.00 42.46 41.47 3m1y s ILE 154 CO 0.79 0.37 1.28 -0.94 0.00 0.00 0.00 174.94 176.44 3m1y s SER 155 N 0.74 3.37 0.25 3.58 1.04 -1.26 -4.64 113.70 116.77 3m1y s SER 155 Ca -0.13 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 3m1y s SER 155 Cb -0.16 -0.40 0.29 0.00 0.10 0.00 0.00 66.02 65.86 3m1y s SER 155 CO 0.03 -2.57 1.73 0.50 0.98 0.00 0.00 173.24 173.91 3m1y h LYS 156 N -1.49 0.82 -0.67 4.02 3.64 -1.95 -2.85 116.57 118.08 3m1y h LYS 156 Ca -0.44 -0.23 0.14 0.00 -1.27 0.00 0.00 60.65 58.84 3m1y h LYS 156 Cb 1.25 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.88 3m1y h LYS 156 CO 0.41 0.84 0.13 1.15 -2.27 0.00 0.00 179.45 179.71 3m1y h THR 157 N 0.76 0.55 -0.64 1.00 2.02 -1.93 -1.22 112.91 113.45 3m1y h THR 157 Ca 0.14 -0.08 -0.22 0.00 0.77 0.00 0.00 66.41 67.02 3m1y h THR 157 Cb 0.49 0.29 -0.13 0.00 -1.74 0.00 0.00 68.15 67.06 3m1y h THR 157 CO 0.02 0.04 0.28 0.59 0.37 0.00 0.00 175.52 176.83 3m1y n ASN 158 N -5.17 4.15 -4.51 4.18 3.02 -1.08 -4.60 115.26 111.25 3m1y n ASN 158 Ca 0.11 -3.03 -0.33 0.00 -0.03 0.00 0.00 54.58 51.30 3m1y n ASN 158 Cb 0.39 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.72 3m1y n ASN 158 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m1y s THR 159 N -2.52 3.52 -0.07 3.41 2.01 -0.53 -1.02 115.64 120.44 3m1y s THR 159 Ca 0.44 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.96 3m1y s THR 159 Cb 0.36 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.41 3m1y s THR 159 CO 0.11 0.56 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.18 3m1y s LEU 160 N -0.31 1.93 0.05 4.42 0.20 0.87 -2.38 118.68 123.46 3m1y s LEU 160 Ca 0.04 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.50 3m1y s LEU 160 Cb -0.13 -1.16 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 3m1y s LEU 160 CO 0.02 0.13 -0.23 0.54 -0.29 0.00 0.00 176.35 176.52 3m1y s VAL 161 N 0.31 1.90 -0.06 1.68 0.11 -0.31 -1.04 120.40 122.99 3m1y s VAL 161 Ca -0.13 -1.33 -0.00 0.00 -2.93 0.00 0.00 61.98 57.59 3m1y s VAL 161 Cb -0.16 -1.64 0.03 0.00 -1.53 0.00 0.00 36.38 33.07 3m1y s VAL 161 CO 0.06 0.25 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.37 3m1y s VAL 162 N -0.84 0.44 0.07 2.04 1.01 -0.52 -0.81 120.40 121.79 3m1y s VAL 162 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3m1y s VAL 162 Cb -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3m1y s VAL 162 CO 0.02 0.24 0.12 0.61 0.00 0.00 0.00 175.10 176.09 3m1y n GLY 163 N 4.58 2.08 0.00 4.51 0.00 -0.65 -1.70 105.19 114.01 3m1y n GLY 163 Ca -0.17 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3m1y n GLY 163 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m1y n ASP 164 N -1.31 0.45 -4.91 1.61 3.85 -1.26 -0.07 116.55 114.91 3m1y n ASP 164 Ca -0.01 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.80 3m1y n ASP 164 Cb 0.10 0.07 -0.00 0.00 -1.35 0.00 0.00 41.12 39.94 3m1y n ASP 164 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3m1y s GLY 165 N -0.74 2.40 0.18 6.12 0.00 -1.26 -1.60 107.32 112.42 3m1y s GLY 165 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.45 3m1y s GLY 165 CO 0.00 -1.97 1.79 0.00 0.00 0.00 0.00 173.10 172.92 3m1y h ALA 166 N 0.69 0.63 -0.63 3.20 0.00 -1.98 -2.33 119.26 118.84 3m1y h ALA 166 Ca -0.36 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.70 3m1y h ALA 166 Cb 1.31 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 3m1y h ALA 166 CO 0.56 -0.09 -0.05 -0.91 0.00 0.00 0.00 179.25 178.77 3m1y h ASN 167 N 0.50 -0.37 0.00 0.00 2.35 -1.96 0.32 115.58 116.40 3m1y h ASN 167 Ca 0.22 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3m1y h ASN 167 Cb 0.12 0.31 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3m1y h ASN 167 CO -0.15 -0.15 0.25 0.47 -1.65 0.00 0.00 177.43 176.20 3m1y n ASP 168 N -5.33 0.13 0.22 5.81 8.00 -0.88 -0.23 116.55 124.27 3m1y n ASP 168 Ca 0.09 0.39 0.06 0.00 0.71 0.00 0.00 54.79 56.04 3m1y n ASP 168 Cb 0.36 -0.37 0.49 0.00 -0.02 0.00 0.00 41.12 41.58 3m1y n ASP 168 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3m1y h LEU 169 N 0.00 0.00 -1.53 0.64 3.38 -0.46 -2.24 115.31 115.10 3m1y h LEU 169 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m1y h LEU 169 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3m1y h LEU 169 CO 0.00 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3m1y n SER 170 N -4.10 0.80 0.00 -0.43 3.41 0.69 -2.24 113.62 111.75 3m1y n SER 170 Ca -0.02 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3m1y n SER 170 Cb 0.31 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3m1y n SER 170 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3m1y n PHE 172 N 0.57 0.00 -0.17 7.33 3.01 -0.84 -3.91 117.46 123.44 3m1y n PHE 172 Ca 0.00 0.00 0.29 0.00 1.01 0.00 0.00 57.45 58.75 3m1y n PHE 172 Cb 0.15 0.00 0.73 0.00 -0.01 0.00 0.00 39.48 40.34 3m1y n PHE 172 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3m1y h LYS 173 N 0.00 0.00 -0.06 -1.08 3.64 -1.73 -1.92 116.57 115.43 3m1y h LYS 173 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3m1y h LYS 173 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3m1y h LYS 173 CO 0.00 0.00 -0.40 0.72 -2.27 0.00 0.00 179.45 177.50 3m1y n HIS 174 N -4.18 0.17 -4.63 1.91 8.25 -1.26 -5.01 115.22 110.48 3m1y n HIS 174 Ca 0.18 -1.48 -0.23 0.00 -0.26 0.00 0.00 57.72 55.93 3m1y n HIS 174 Cb 0.98 -0.28 -0.15 0.00 1.12 0.00 0.00 29.99 31.66 3m1y n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 175 N -3.22 1.34 -0.01 -1.41 0.00 -0.72 -4.59 121.76 113.15 3m1y s ALA 175 Ca 0.39 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 3m1y s ALA 175 Cb 0.37 -0.30 -0.20 0.00 0.00 0.00 0.00 23.12 23.00 3m1y s ALA 175 CO -0.05 0.31 1.18 1.25 0.00 0.00 0.00 175.76 178.45 3m1y h HIS 176 N 5.41 0.33 -3.40 0.00 2.76 -1.01 -3.43 115.15 115.81 3m1y h HIS 176 Ca -0.37 -0.14 -0.65 0.00 -2.20 0.00 0.00 60.37 57.01 3m1y h HIS 176 Cb 1.16 -0.05 -0.25 0.00 1.55 0.00 0.00 27.41 29.82 3m1y h HIS 176 CO 0.45 0.84 -0.69 0.42 -1.30 0.00 0.00 177.93 177.65 3m1y s ILE 177 N -3.71 3.67 -0.22 6.26 1.01 -1.09 -4.96 121.20 122.15 3m1y s ILE 177 Ca -0.15 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3m1y s ILE 177 Cb 0.03 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.90 3m1y s ILE 177 CO 0.75 0.44 -0.08 -0.54 0.00 0.00 0.00 174.94 175.50 3m1y s LYS 178 N 1.05 1.89 -0.24 2.79 1.02 -1.26 -1.16 119.74 123.82 3m1y s LYS 178 Ca 0.01 -0.99 -0.12 0.00 0.02 0.00 0.00 55.97 54.90 3m1y s LYS 178 Cb -0.15 -2.57 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 3m1y s LYS 178 CO 0.01 -0.52 0.22 0.42 -0.92 0.00 0.00 175.35 174.55 3m1y s ILE 179 N 1.35 5.31 -0.57 2.17 -1.09 0.01 -0.10 121.20 128.27 3m1y s ILE 179 Ca -0.04 0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 58.49 3m1y s ILE 179 Cb -0.18 -3.56 0.12 0.00 -1.58 0.00 0.00 42.46 37.26 3m1y s ILE 179 CO -0.07 0.30 0.61 0.00 -1.23 0.00 0.00 174.94 174.55 3m1y s ALA 180 N 1.30 3.55 -0.38 9.38 0.00 -0.63 -1.64 121.76 133.34 3m1y s ALA 180 Ca 0.10 -2.42 -0.24 0.00 0.00 0.00 0.00 51.96 49.40 3m1y s ALA 180 Cb -0.14 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.59 3m1y s ALA 180 CO 0.07 -2.19 0.82 0.12 0.00 0.00 0.00 175.76 174.58 3m1y s PHE 181 N 2.08 3.08 -1.28 0.00 5.36 0.90 -1.56 117.98 126.56 3m1y s PHE 181 Ca 0.07 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.59 3m1y s PHE 181 Cb -0.27 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 3m1y s PHE 181 CO 0.04 -0.79 0.01 0.09 -1.46 0.00 0.00 175.22 173.11 3m1y n ASN 182 N 6.55 0.72 -4.46 6.13 3.02 0.74 -4.38 115.26 123.58 3m1y n ASN 182 Ca 0.04 -1.06 -0.28 0.00 -0.03 0.00 0.00 54.58 53.24 3m1y n ASN 182 Cb 0.48 -1.32 0.14 0.00 -0.61 0.00 0.00 39.78 38.47 3m1y n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1y s ALA 183 N -4.15 2.64 0.33 5.41 0.00 -1.26 -4.93 121.76 119.81 3m1y s ALA 183 Ca 0.01 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 3m1y s ALA 183 Cb -0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 3m1y s ALA 183 CO 0.83 -2.00 0.64 0.15 0.00 0.00 0.00 175.76 175.38 3m1y s LYS 184 N -5.64 3.70 0.31 0.00 3.01 -0.63 -4.88 119.74 115.60 3m1y s LYS 184 Ca 0.69 0.20 0.05 0.00 -1.01 0.00 0.00 55.97 55.89 3m1y s LYS 184 Cb -0.06 -2.55 0.82 0.00 -1.01 0.00 0.00 37.83 35.03 3m1y s LYS 184 CO 0.50 0.12 1.61 0.93 0.51 0.00 0.00 175.35 179.01 3m1y h GLU 185 N 1.54 0.10 0.07 1.68 4.39 -1.99 -1.45 114.58 118.91 3m1y h GLU 185 Ca -0.47 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3m1y h GLU 185 Cb 1.19 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3m1y h GLU 185 CO 0.65 0.06 -0.07 0.28 -1.16 0.00 0.00 179.01 178.78 3m1y h VAL 186 N 0.10 0.84 0.03 3.13 2.07 -1.95 -2.18 116.25 118.29 3m1y h VAL 186 Ca 0.61 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.13 3m1y h VAL 186 Cb 1.32 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3m1y h VAL 186 CO -0.77 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.05 3m1y h LEU 187 N -0.16 -0.04 -1.30 2.57 6.46 -1.59 -2.93 115.31 118.32 3m1y h LEU 187 Ca 0.01 -0.13 0.26 0.00 -0.12 0.00 0.00 57.88 57.90 3m1y h LEU 187 Cb 0.15 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.00 3m1y h LEU 187 CO -0.02 0.10 0.65 0.11 -0.62 0.00 0.00 178.44 178.66 3m1y h LYS 188 N -0.18 0.42 0.00 1.25 1.57 -1.27 0.88 116.57 119.25 3m1y h LYS 188 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3m1y h LYS 188 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3m1y h LYS 188 CO 0.01 0.28 0.00 0.37 -0.57 0.00 0.00 179.45 179.54 3m1y h GLN 189 N 0.44 0.00 -0.01 3.15 5.75 -1.20 -2.94 115.11 120.30 3m1y h GLN 189 Ca 0.60 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.10 3m1y h GLN 189 Cb 1.43 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.98 3m1y h GLN 189 CO -0.32 0.00 0.00 0.72 -2.65 0.00 0.00 178.83 176.58 3m1y n HIS 190 N -2.86 0.00 -1.70 3.99 8.25 0.22 -5.03 115.22 118.10 3m1y n HIS 190 Ca 0.01 -0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 3m1y n HIS 190 Cb 0.26 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.41 3m1y n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 191 N -0.78 2.67 0.01 -1.41 0.00 -0.71 -4.95 121.76 116.60 3m1y s ALA 191 Ca 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 3m1y s ALA 191 Cb 0.08 -3.20 -0.28 0.00 0.00 0.00 0.00 23.12 19.72 3m1y s ALA 191 CO 0.12 -1.13 0.89 1.15 0.00 0.00 0.00 175.76 176.79 3m1y h THR 192 N -0.37 1.20 -1.95 0.00 2.02 -0.84 -3.48 112.91 109.49 3m1y h THR 192 Ca -0.45 -2.83 -0.04 0.00 0.77 0.00 0.00 66.41 63.86 3m1y h THR 192 Cb 1.21 2.78 -0.20 0.00 -1.74 0.00 0.00 68.15 70.20 3m1y h THR 192 CO 0.57 0.82 0.21 -2.28 0.37 0.00 0.00 175.52 175.20 3m1y s HIS 193 N -2.62 -0.68 -0.09 3.16 2.46 -1.09 -4.99 115.29 111.43 3m1y s HIS 193 Ca -0.08 1.38 0.01 0.00 0.47 0.00 0.00 55.06 56.84 3m1y s HIS 193 Cb 0.07 0.36 -0.02 0.00 -0.13 0.00 0.00 32.58 32.86 3m1y s HIS 193 CO 0.86 -0.49 -0.11 0.00 -2.47 0.00 0.00 174.74 172.52 3m1y s ILE 195 N -0.25 4.85 -0.16 0.00 -1.09 -0.60 -4.97 121.20 118.98 3m1y s ILE 195 Ca 0.02 0.00 0.18 0.00 -2.23 0.00 0.00 60.65 58.62 3m1y s ILE 195 Cb -0.13 -3.25 0.43 0.00 -1.58 0.00 0.00 42.46 37.93 3m1y s ILE 195 CO 0.03 0.37 1.30 0.59 -1.23 0.00 0.00 174.94 176.00 3m1y n ASN 196 N 4.35 3.19 -3.98 3.58 5.03 -1.26 -0.19 115.26 125.98 3m1y n ASN 196 Ca -0.16 -3.07 -0.20 0.00 0.87 0.00 0.00 54.58 52.02 3m1y n ASN 196 Cb 0.52 -0.50 -0.16 0.00 -1.02 0.00 0.00 39.78 38.63 3m1y n ASN 196 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3m1y s GLU 197 N -2.86 0.95 -0.02 3.52 0.41 -1.26 -4.97 118.70 114.47 3m1y s GLU 197 Ca 0.38 -0.27 -0.00 0.00 -0.41 0.00 0.00 54.97 54.66 3m1y s GLU 197 Cb 0.32 -0.88 -0.01 0.00 -1.78 0.00 0.00 34.13 31.78 3m1y s GLU 197 CO 0.06 0.08 0.80 -0.35 -0.49 0.00 0.00 175.26 175.36 3m1y n PRO 198 N 3.41 0.08 -3.58 0.39 -0.04 -1.26 -4.63 135.00 129.36 3m1y n PRO 198 Ca -0.19 -0.26 -0.28 0.00 -0.04 0.00 0.00 63.50 62.73 3m1y n PRO 198 Cb 0.54 -1.74 -0.16 0.00 -0.04 0.00 0.00 33.50 32.10 3m1y n PRO 198 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m1y s ASP 199 N 3.84 2.96 0.59 3.54 -1.08 -1.26 -4.06 116.67 121.20 3m1y s ASP 199 Ca 0.02 -0.96 0.31 0.00 -0.52 0.00 0.00 52.55 51.41 3m1y s ASP 199 Cb 0.01 -0.31 1.83 0.00 -1.46 0.00 0.00 42.92 42.98 3m1y s ASP 199 CO -0.00 -0.39 2.23 -0.07 0.52 0.00 0.00 175.17 177.46 3m1y h LEU 200 N 8.41 0.00 -2.36 -1.34 3.38 -1.55 -1.60 115.31 120.24 3m1y h LEU 200 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3m1y h LEU 200 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3m1y h LEU 200 CO 0.37 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3m1y h ALA 201 N 1.97 1.00 0.00 1.53 0.00 -1.75 0.15 119.26 122.16 3m1y h ALA 201 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m1y h ALA 201 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3m1y h ALA 201 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3m1y n LEU 202 N -2.83 0.00 0.01 0.00 4.32 -0.60 -2.02 117.00 115.88 3m1y n LEU 202 Ca -0.02 0.45 -0.02 0.00 -0.02 0.00 0.00 56.01 56.39 3m1y n LEU 202 Cb 0.09 -0.45 -0.10 0.00 -1.62 0.00 0.00 43.42 41.34 3m1y n LEU 202 CO 0.18 -0.34 -0.42 -0.38 -1.22 0.00 0.00 177.39 175.20 3m1y n ILE 203 N -1.45 1.26 0.11 -0.08 5.41 0.04 -4.35 119.36 120.31 3m1y n ILE 203 Ca 0.02 -0.72 0.16 0.00 1.00 0.00 0.00 62.75 63.21 3m1y n ILE 203 Cb 0.07 -0.76 0.70 0.00 -0.71 0.00 0.00 39.64 38.94 3m1y n ILE 203 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 3m1y h LYS 204 N 0.00 0.00 0.00 0.38 2.10 -1.57 -0.43 116.57 117.05 3m1y h LYS 204 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3m1y h LYS 204 Cb 1.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.04 3m1y h LYS 204 CO 0.05 0.00 0.00 -0.35 -2.00 0.00 0.00 179.45 177.15 3m1y n PRO 205 N -4.31 0.13 0.00 0.07 -0.04 -1.26 -2.50 135.00 127.09 3m1y n PRO 205 Ca 0.05 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.77 3m1y n PRO 205 Cb 0.41 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3m1y n PRO 205 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3m1y n LEU 206 N -1.30 1.02 0.03 1.53 4.77 -0.17 -4.66 117.00 118.22 3m1y n LEU 206 Ca 0.05 -0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 55.21 3m1y n LEU 206 Cb 0.08 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 3m1y n LEU 206 CO 0.08 0.22 0.05 0.16 -1.33 0.00 0.00 177.39 176.56 3m1y h ILE 207 N 0.71 1.51 0.00 -0.08 3.07 -1.55 -3.53 117.51 117.63 3m1y h ILE 207 Ca 0.00 -2.50 0.00 0.00 1.55 0.00 0.00 64.86 63.91 3m1y h ILE 207 Cb 0.39 3.18 0.00 0.00 -0.27 0.00 0.00 36.82 40.12 3m1y h ILE 207 CO 0.00 0.69 0.00 -1.84 -1.05 0.00 0.00 178.15 175.95