#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iam n PRO 27 N 0.00 0.66 -0.05 2.98 -0.02 -1.26 -2.10 135.00 135.20 3iam n PRO 27 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 3iam n PRO 27 Cb 0.00 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 3iam n PRO 27 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3iam n ASP 28 N 0.02 2.09 -4.25 2.55 8.00 -1.26 -4.91 116.55 118.79 3iam n ASP 28 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 3iam n ASP 28 Cb 0.13 0.87 -0.13 0.00 -0.02 0.00 0.00 41.12 41.97 3iam n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iam s ALA 29 N -2.35 2.93 0.19 2.24 0.00 -0.89 -5.09 121.76 118.79 3iam s ALA 29 Ca -0.06 -1.63 -0.31 0.00 0.00 0.00 0.00 51.96 49.97 3iam s ALA 29 Cb 0.04 -2.06 -0.16 0.00 0.00 0.00 0.00 23.12 20.94 3iam s ALA 29 CO 0.49 -1.13 0.94 -0.35 0.00 0.00 0.00 175.76 175.71 3iam n PRO 30 N 4.76 0.77 -2.53 0.00 -0.04 -1.26 -4.90 135.00 131.80 3iam n PRO 30 Ca -0.14 0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 3iam n PRO 30 Cb 0.46 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3iam n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iam s VAL 31 N -0.59 4.45 -0.50 0.52 1.01 -1.16 -4.79 120.40 119.34 3iam s VAL 31 Ca 0.69 1.75 -0.25 0.00 0.00 0.00 0.00 61.98 64.17 3iam s VAL 31 Cb -0.88 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 31.40 3iam s VAL 31 CO 0.56 -0.09 0.93 0.00 0.00 0.00 0.00 175.10 176.49 3iam s ALA 32 N 2.90 3.20 0.18 5.51 0.00 -1.26 -2.00 121.76 130.29 3iam s ALA 32 Ca 0.51 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.52 3iam s ALA 32 Cb -0.20 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3iam s ALA 32 CO 0.15 -2.20 0.21 -0.51 0.00 0.00 0.00 175.76 173.40 3iam s LEU 33 N 3.84 4.01 0.56 0.00 1.02 -0.72 -4.99 118.68 122.40 3iam s LEU 33 Ca 0.34 -0.04 -0.15 0.00 0.02 0.00 0.00 54.13 54.30 3iam s LEU 33 Cb -0.11 -2.59 -0.05 0.00 0.02 0.00 0.00 46.19 43.45 3iam s LEU 33 CO 0.23 0.04 1.02 -0.54 0.02 0.00 0.00 176.35 177.12 3iam s LYS 34 N -3.31 3.64 0.54 1.70 -0.14 -1.26 -4.38 119.74 116.53 3iam s LYS 34 Ca 0.32 1.01 0.23 0.00 -1.36 0.00 0.00 55.97 56.18 3iam s LYS 34 Cb -0.10 -2.09 1.51 0.00 -1.68 0.00 0.00 37.83 35.47 3iam s LYS 34 CO 0.26 -0.54 2.17 -1.00 -0.76 0.00 0.00 175.35 175.48 3iam h PRO 35 N 0.52 0.00 -0.00 -1.68 0.13 -1.98 -1.38 132.00 127.60 3iam h PRO 35 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iam h PRO 35 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3iam h PRO 35 CO 0.60 0.03 -0.14 -2.13 -0.23 0.00 0.00 178.00 176.13 3iam n ARG 36 N -4.11 0.23 -1.52 0.86 3.00 -1.26 -4.57 116.66 109.29 3iam n ARG 36 Ca -0.03 -0.06 -0.43 0.00 -0.00 0.00 0.00 57.85 57.33 3iam n ARG 36 Cb 0.12 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.08 3iam n ARG 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3iam n PHE 37 N -1.33 0.35 -3.12 -0.14 7.35 -0.52 -4.92 117.46 115.12 3iam n PHE 37 Ca 0.09 0.66 -0.45 0.00 -0.76 0.00 0.00 57.45 56.99 3iam n PHE 37 Cb 0.31 -2.11 -0.02 0.00 0.35 0.00 0.00 39.48 38.01 3iam n PHE 37 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3iam s HIS 38 N -1.26 3.40 0.00 -5.13 3.76 -1.26 -4.59 115.29 110.20 3iam s HIS 38 Ca 0.62 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 3iam s HIS 38 Cb -0.66 -4.06 0.00 0.00 1.11 0.00 0.00 32.58 28.97 3iam s HIS 38 CO 0.58 -1.26 0.00 0.41 -0.85 0.00 0.00 174.74 173.63 3iam n GLY 39 N 4.80 5.07 3.69 -2.22 0.00 -0.47 -4.91 105.19 111.15 3iam n GLY 39 Ca 0.17 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3iam n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3iam n ARG 40 N 0.00 2.73 -1.59 1.61 0.63 -0.47 -3.33 116.66 116.23 3iam n ARG 40 Ca 0.00 0.99 -0.45 0.00 -0.92 0.00 0.00 57.85 57.47 3iam n ARG 40 Cb 0.00 -2.87 -0.02 0.00 0.45 0.00 0.00 32.46 30.02 3iam n ARG 40 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3iam n HIS 41 N 5.34 1.34 -5.04 -0.14 8.25 -1.26 -1.17 115.22 122.54 3iam n HIS 41 Ca 0.18 0.68 -0.31 0.00 -0.26 0.00 0.00 57.72 58.02 3iam n HIS 41 Cb 0.36 -2.27 -0.15 0.00 1.12 0.00 0.00 29.99 29.05 3iam n HIS 41 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3iam s VAL 42 N -0.88 2.21 -0.32 1.59 0.11 0.41 -4.73 120.40 118.79 3iam s VAL 42 Ca 0.61 -1.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.32 3iam s VAL 42 Cb -0.72 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.29 3iam s VAL 42 CO 0.58 0.46 0.18 -0.76 -3.33 0.00 0.00 175.10 172.23 3iam s LEU 43 N -0.99 4.24 0.57 2.54 1.43 0.64 -1.91 118.68 125.20 3iam s LEU 43 Ca 0.11 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 3iam s LEU 43 Cb -0.10 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3iam s LEU 43 CO 0.01 -0.20 0.87 0.42 0.23 0.00 0.00 176.35 177.68 3iam s THR 44 N 1.65 3.80 0.33 5.49 -4.23 -0.48 -1.90 115.64 120.31 3iam s THR 44 Ca 0.05 -0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.63 3iam s THR 44 Cb -0.17 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 3iam s THR 44 CO 0.08 -0.49 0.03 -0.13 -0.54 0.00 0.00 174.62 173.56 3iam s ARG 45 N -4.93 2.14 0.85 3.99 0.52 -1.26 -2.64 118.95 117.62 3iam s ARG 45 Ca 0.53 -1.68 -0.13 0.00 -0.52 0.00 0.00 55.73 53.92 3iam s ARG 45 Cb -0.10 -1.99 0.12 0.00 0.52 0.00 0.00 34.95 33.49 3iam s ARG 45 CO 0.44 0.16 1.22 -1.01 0.02 0.00 0.00 175.30 176.13 3iam s HIS 46 N -2.48 2.55 0.12 -0.53 3.76 -0.05 -4.84 115.29 113.81 3iam s HIS 46 Ca 0.35 0.62 -0.34 0.00 -0.15 0.00 0.00 55.06 55.54 3iam s HIS 46 Cb -0.01 -3.68 -0.13 0.00 1.11 0.00 0.00 32.58 29.87 3iam s HIS 46 CO 0.20 -2.03 1.56 -1.35 -0.85 0.00 0.00 174.74 172.26 3iam h PRO 47 N -1.23 -0.59 -1.87 8.40 0.11 -2.01 -2.61 132.00 132.20 3iam h PRO 47 Ca -0.46 0.04 0.55 0.00 0.11 0.00 0.00 66.00 66.24 3iam h PRO 47 Cb 1.30 0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.47 3iam h PRO 47 CO 0.58 -0.40 1.34 0.09 -0.21 0.00 0.00 178.00 179.40 3iam n ASN 48 N -5.45 0.01 0.00 -2.05 4.13 -1.26 -4.74 115.26 105.91 3iam n ASN 48 Ca -0.06 0.98 0.00 0.00 1.68 0.00 0.00 54.58 57.18 3iam n ASN 48 Cb 0.39 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 3iam n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iam n GLY 49 N -1.86 0.59 3.79 7.41 0.00 -0.98 -5.08 105.19 109.06 3iam n GLY 49 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 3iam n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iam s LEU 50 N 0.00 3.71 0.69 0.99 2.01 -1.26 -4.81 118.68 120.01 3iam s LEU 50 Ca 0.00 1.93 -0.13 0.00 0.01 0.00 0.00 54.13 55.95 3iam s LEU 50 Cb 0.00 -4.55 0.01 0.00 0.01 0.00 0.00 46.19 41.66 3iam s LEU 50 CO 0.00 -0.99 1.08 -1.61 1.01 0.00 0.00 176.35 175.84 3iam s GLU 51 N -3.52 2.76 0.22 1.70 2.02 -0.80 -0.87 118.70 120.21 3iam s GLU 51 Ca 0.67 1.16 0.23 0.00 0.02 0.00 0.00 54.97 57.06 3iam s GLU 51 Cb -0.17 -1.96 0.25 0.00 0.10 0.00 0.00 34.13 32.34 3iam s GLU 51 CO 0.27 -1.25 1.31 0.87 0.02 0.00 0.00 175.26 176.47 3iam h LYS 52 N -0.47 0.00 -5.97 1.61 1.57 -1.83 -3.40 116.57 108.08 3iam h LYS 52 Ca -0.45 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.75 3iam h LYS 52 Cb 1.23 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.47 3iam h LYS 52 CO 0.55 0.00 0.42 0.00 -0.57 0.00 0.00 179.45 179.84 3iam n ILE 54 N 4.74 2.75 -2.85 0.00 -5.35 -1.26 -4.08 119.36 113.31 3iam n ILE 54 Ca 0.05 -3.03 -0.19 0.00 -0.27 0.00 0.00 62.75 59.31 3iam n ILE 54 Cb 0.49 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 3iam n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iam n GLY 55 N -1.02 -0.50 0.04 3.28 0.00 -1.26 -4.39 105.19 101.34 3iam n GLY 55 Ca 0.41 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.62 3iam n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iam n SER 57 N -1.84 -4.97 -0.01 0.00 2.88 -1.26 -4.85 113.62 103.58 3iam n SER 57 Ca 0.06 0.09 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 3iam n SER 57 Cb 0.38 -4.18 -0.14 0.00 -0.75 0.00 0.00 64.21 59.53 3iam n SER 57 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3iam h LEU 58 N 0.00 0.12 0.55 2.46 5.85 -1.95 -2.96 115.31 119.38 3iam h LEU 58 Ca -0.40 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3iam h LEU 58 Cb 1.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3iam h LEU 58 CO 0.48 1.22 -0.39 0.00 -0.34 0.00 0.00 178.44 179.41 3iam h ALA 60 N -1.27 3.16 -0.16 0.00 0.00 -1.87 -1.03 119.26 118.08 3iam h ALA 60 Ca -0.07 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iam h ALA 60 Cb 0.73 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3iam h ALA 60 CO 0.04 -1.74 -0.07 0.00 0.00 0.00 0.00 179.25 177.48 3iam h ALA 61 N 1.38 0.22 0.00 0.00 0.00 -1.22 -3.14 119.26 116.50 3iam h ALA 61 Ca 0.84 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3iam h ALA 61 Cb 2.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.69 3iam h ALA 61 CO -0.24 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3iam n ALA 62 N -2.37 2.15 -2.13 0.00 0.00 -0.41 -4.83 120.51 112.91 3iam n ALA 62 Ca -0.06 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3iam n ALA 62 Cb 0.29 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 3iam n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iam h PRO 64 N 10.09 0.00 -0.01 0.00 0.13 -1.90 -3.10 132.00 137.21 3iam h PRO 64 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3iam h PRO 64 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3iam h PRO 64 CO 0.99 0.03 -0.58 0.00 -0.23 0.00 0.00 178.00 178.21 3iam n ALA 65 N -2.19 3.78 -3.64 -0.56 0.00 -1.26 -4.99 120.51 111.65 3iam n ALA 65 Ca -0.02 -0.61 -0.25 0.00 0.00 0.00 0.00 53.44 52.56 3iam n ALA 65 Cb 0.15 -0.73 0.04 0.00 0.00 0.00 0.00 19.45 18.90 3iam n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iam n TYR 66 N -0.43 -1.97 0.29 0.00 4.01 -1.17 -4.91 117.16 112.98 3iam n TYR 66 Ca 0.07 0.66 0.03 0.00 -0.16 0.00 0.00 57.90 58.51 3iam n TYR 66 Cb 0.40 -3.86 0.03 0.00 -0.31 0.00 0.00 39.34 35.60 3iam n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iam n ALA 67 N -4.08 2.50 -3.08 -0.72 0.00 -1.26 -4.98 120.51 108.89 3iam n ALA 67 Ca -0.17 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 3iam n ALA 67 Cb 0.63 -0.24 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 3iam n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iam s ILE 68 N -0.63 1.82 -0.13 0.00 1.01 -1.26 -1.95 121.20 120.06 3iam s ILE 68 Ca 0.08 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3iam s ILE 68 Cb 0.06 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3iam s ILE 68 CO 0.10 0.51 -0.22 -0.47 0.00 0.00 0.00 174.94 174.86 3iam s TYR 69 N 0.21 2.56 -0.16 3.97 6.14 -0.41 -4.80 117.35 124.86 3iam s TYR 69 Ca -0.12 -1.22 0.00 0.00 0.64 0.00 0.00 57.07 56.37 3iam s TYR 69 Cb -0.16 -1.74 0.03 0.00 0.42 0.00 0.00 41.96 40.52 3iam s TYR 69 CO 0.06 -0.55 -0.10 0.08 0.64 0.00 0.00 175.55 175.68 3iam s VAL 70 N 0.71 1.36 -0.20 3.14 1.01 -1.26 -1.74 120.40 123.41 3iam s VAL 70 Ca -0.10 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3iam s VAL 70 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3iam s VAL 70 CO 0.01 0.30 0.10 -1.61 0.00 0.00 0.00 175.10 173.90 3iam s GLU 71 N 1.55 4.04 0.35 2.72 2.02 -0.59 -4.92 118.70 123.87 3iam s GLU 71 Ca 0.03 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 3iam s GLU 71 Cb -0.14 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 3iam s GLU 71 CO -0.09 0.21 0.56 -2.14 0.02 0.00 0.00 175.26 173.82 3iam s PRO 72 N 0.59 3.50 0.08 0.39 0.02 -1.26 0.42 135.00 138.74 3iam s PRO 72 Ca 0.06 -0.26 -0.07 0.00 0.02 0.00 0.00 61.00 60.75 3iam s PRO 72 Cb -0.12 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.74 3iam s PRO 72 CO 0.01 0.13 0.13 0.00 -0.33 0.00 0.00 177.00 176.94 3iam s ALA 73 N -2.32 -0.02 -0.08 -1.55 0.00 -0.47 -4.46 121.76 112.86 3iam s ALA 73 Ca 0.41 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 3iam s ALA 73 Cb -0.10 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3iam s ALA 73 CO 0.36 -0.47 0.72 -2.00 0.00 0.00 0.00 175.76 174.36 3iam s GLU 74 N -3.88 4.42 0.52 0.00 2.12 -1.26 -1.73 118.70 118.89 3iam s GLU 74 Ca 0.06 0.89 -0.23 0.00 0.36 0.00 0.00 54.97 56.05 3iam s GLU 74 Cb 0.06 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 3iam s GLU 74 CO -0.11 0.01 1.35 0.09 -0.54 0.00 0.00 175.26 176.07 3iam n ASN 75 N 3.97 2.74 -4.64 -1.70 3.02 -0.95 -4.90 115.26 112.81 3iam n ASN 75 Ca -0.01 1.01 -0.40 0.00 -0.03 0.00 0.00 54.58 55.16 3iam n ASN 75 Cb 0.51 -1.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.04 3iam n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iam s ASP 76 N -0.79 6.51 0.37 6.41 -1.08 -1.26 -4.97 116.67 121.85 3iam s ASP 76 Ca 0.69 0.61 0.07 0.00 -0.52 0.00 0.00 52.55 53.40 3iam s ASP 76 Cb -0.43 -2.29 0.78 0.00 -1.46 0.00 0.00 42.92 39.52 3iam s ASP 76 CO 0.52 -0.26 1.94 -0.65 0.52 0.00 0.00 175.17 177.23 3iam h PRO 77 N 7.79 0.69 -0.29 4.34 0.11 -1.99 -1.73 132.00 140.91 3iam h PRO 77 Ca -0.30 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.60 3iam h PRO 77 Cb 1.14 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3iam h PRO 77 CO 0.73 0.46 -0.46 1.49 -0.21 0.00 0.00 178.00 180.01 3iam h GLU 78 N 0.71 0.82 -2.66 1.05 4.57 -2.04 -3.39 114.58 113.64 3iam h GLU 78 Ca 0.35 -0.50 -0.60 0.00 -1.18 0.00 0.00 59.36 57.43 3iam h GLU 78 Cb 0.41 0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 28.65 3iam h GLU 78 CO -0.13 1.13 -0.80 -1.71 -1.18 0.00 0.00 179.01 176.32 3iam n ASN 79 N -4.10 1.06 -4.79 1.04 5.15 -0.84 -5.12 115.26 107.66 3iam n ASN 79 Ca -0.04 -2.74 -0.38 0.00 -0.60 0.00 0.00 54.58 50.81 3iam n ASN 79 Cb 0.58 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 39.12 3iam n ASN 79 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3iam s PRO 80 N -0.63 4.51 -0.11 1.20 0.04 -0.71 -4.16 135.00 135.13 3iam s PRO 80 Ca 0.30 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 3iam s PRO 80 Cb 0.01 -3.03 -0.27 0.00 0.04 0.00 0.00 34.50 31.25 3iam s PRO 80 CO -0.18 0.44 0.59 0.28 0.04 0.00 0.00 177.00 178.16 3iam h VAL 81 N 2.94 1.15 -4.43 -0.36 2.07 -1.96 -3.49 116.25 112.17 3iam h VAL 81 Ca -0.47 -2.39 -0.24 0.00 0.82 0.00 0.00 66.70 64.42 3iam h VAL 81 Cb 1.20 2.79 -0.13 0.00 -1.52 0.00 0.00 31.29 33.62 3iam h VAL 81 CO 0.66 0.66 -0.48 -0.94 0.02 0.00 0.00 177.57 177.48 3iam s SER 82 N -6.94 0.36 0.49 0.57 1.04 -1.26 -1.91 113.70 106.05 3iam s SER 82 Ca -0.20 -1.36 0.28 0.00 0.48 0.00 0.00 55.95 55.14 3iam s SER 82 Cb 0.03 0.46 0.79 0.00 0.10 0.00 0.00 66.02 67.41 3iam s SER 82 CO 0.75 -0.95 1.78 0.00 0.98 0.00 0.00 173.24 175.79 3iam h ALA 83 N 2.46 1.00 -3.00 5.32 0.00 -1.88 -3.46 119.26 119.69 3iam h ALA 83 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iam h ALA 83 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iam h ALA 83 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3iam n GLY 84 N 0.63 -1.14 0.56 0.00 0.00 -1.26 -4.94 105.19 99.04 3iam n GLY 84 Ca 0.02 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.73 3iam n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iam n GLU 85 N 0.00 1.46 -4.90 1.61 0.28 -1.26 -4.88 120.64 112.95 3iam n GLU 85 Ca 0.00 -1.15 -0.29 0.00 -0.16 0.00 0.00 57.16 55.56 3iam n GLU 85 Cb 0.00 -1.45 -0.17 0.00 1.43 0.00 0.00 31.44 31.26 3iam n GLU 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3iam s ARG 86 N -2.30 2.49 0.46 3.44 3.52 -1.26 -2.23 118.95 123.07 3iam s ARG 86 Ca 0.19 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 3iam s ARG 86 Cb 0.18 -1.95 -0.02 0.00 -1.56 0.00 0.00 34.95 31.60 3iam s ARG 86 CO 0.50 0.09 0.07 1.52 -0.81 0.00 0.00 175.30 176.67 3iam s TYR 87 N 0.54 1.82 -0.46 5.12 -0.85 -0.70 -4.33 117.35 118.49 3iam s TYR 87 Ca -0.16 -1.14 -0.13 0.00 -0.52 0.00 0.00 57.07 55.12 3iam s TYR 87 Cb -0.17 -1.37 0.08 0.00 0.38 0.00 0.00 41.96 40.88 3iam s TYR 87 CO 0.06 -0.06 0.36 0.00 -1.52 0.00 0.00 175.55 174.38 3iam s ALA 88 N -3.05 3.48 0.05 9.51 0.00 -1.26 -1.37 121.76 129.12 3iam s ALA 88 Ca 0.15 -2.15 -0.27 0.00 0.00 0.00 0.00 51.96 49.69 3iam s ALA 88 Cb 0.02 -2.94 -0.17 0.00 0.00 0.00 0.00 23.12 20.02 3iam s ALA 88 CO 0.09 -1.72 1.54 -0.22 0.00 0.00 0.00 175.76 175.45 3iam h LYS 89 N 8.65 -0.42 -5.75 0.00 3.64 -0.25 -3.42 116.57 119.01 3iam h LYS 89 Ca -0.27 0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.47 3iam h LYS 89 Cb 1.10 0.10 -0.32 0.00 -0.41 0.00 0.00 32.23 32.70 3iam h LYS 89 CO 0.85 -0.21 -0.88 0.08 -2.27 0.00 0.00 179.45 177.02 3iam s VAL 90 N -5.62 1.99 -0.07 2.00 1.01 -0.62 -4.98 120.40 114.11 3iam s VAL 90 Ca -0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 3iam s VAL 90 Cb 0.04 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3iam s VAL 90 CO 0.61 0.55 -0.02 -0.47 0.00 0.00 0.00 175.10 175.78 3iam s TYR 91 N 0.00 0.78 -0.03 5.22 5.04 -1.26 -1.54 117.35 125.57 3iam s TYR 91 Ca -0.08 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 3iam s TYR 91 Cb -0.15 -0.82 0.03 0.00 0.35 0.00 0.00 41.96 41.37 3iam s TYR 91 CO 0.05 -0.32 0.07 -1.21 -1.34 0.00 0.00 175.55 172.80 3iam s GLU 92 N 1.72 0.01 -0.22 4.97 2.02 -0.71 -2.34 118.70 124.14 3iam s GLU 92 Ca 0.02 0.24 0.02 0.00 0.02 0.00 0.00 54.97 55.26 3iam s GLU 92 Cb -0.13 -0.21 0.05 0.00 0.10 0.00 0.00 34.13 33.94 3iam s GLU 92 CO -0.05 -0.16 -0.12 0.42 0.02 0.00 0.00 175.26 175.37 3iam s ILE 93 N 1.05 1.96 -1.01 -1.63 1.01 -1.09 -1.29 121.20 120.21 3iam s ILE 93 Ca -0.09 -1.29 -0.23 0.00 0.00 0.00 0.00 60.65 59.04 3iam s ILE 93 Cb -0.12 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3iam s ILE 93 CO -0.04 0.15 1.62 0.21 0.00 0.00 0.00 174.94 176.88 3iam s ASN 94 N 1.24 6.10 0.60 3.58 3.04 -0.82 -1.75 114.94 126.93 3iam s ASN 94 Ca -0.04 -1.29 0.31 0.00 0.04 0.00 0.00 52.86 51.88 3iam s ASN 94 Cb -0.17 -2.57 1.75 0.00 -1.54 0.00 0.00 41.25 38.72 3iam s ASN 94 CO -0.08 -1.88 2.12 0.24 -3.04 0.00 0.00 177.10 174.46 3iam h MET 95 N 10.10 0.00 0.00 0.43 2.86 -1.72 0.36 114.93 126.95 3iam h MET 95 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3iam h MET 95 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3iam h MET 95 CO 1.36 0.00 0.00 1.28 1.06 0.00 0.00 176.91 180.61 3iam n LEU 96 N -3.64 0.33 -0.12 1.22 4.77 -1.26 -3.01 117.00 115.28 3iam n LEU 96 Ca 0.01 0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 56.39 3iam n LEU 96 Cb 0.29 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 3iam n LEU 96 CO 0.25 -0.29 -1.30 -1.14 -1.33 0.00 0.00 177.39 173.58 3iam n ARG 97 N -1.84 0.66 -1.54 3.23 3.00 0.12 -5.01 116.66 115.28 3iam n ARG 97 Ca 0.04 0.12 -0.38 0.00 -0.00 0.00 0.00 57.85 57.63 3iam n ARG 97 Cb 0.26 -1.51 0.05 0.00 0.00 0.00 0.00 32.46 31.25 3iam n ARG 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iam n ILE 99 N -1.78 0.00 -2.62 0.00 0.13 -1.26 -4.98 119.36 108.84 3iam n ILE 99 Ca 0.13 -0.23 -0.09 0.00 -1.10 0.00 0.00 62.75 61.46 3iam n ILE 99 Cb 0.48 0.72 0.04 0.00 -0.84 0.00 0.00 39.64 40.04 3iam n ILE 99 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3iam n PHE 100 N -1.29 -1.25 0.49 9.51 3.01 -1.26 -4.98 117.46 121.69 3iam n PHE 100 Ca -0.00 0.49 0.10 0.00 1.01 0.00 0.00 57.45 59.04 3iam n PHE 100 Cb 0.02 -3.54 -0.13 0.00 -0.01 0.00 0.00 39.48 35.81 3iam n PHE 100 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iam n GLY 102 N 1.41 0.36 0.37 0.00 0.00 -1.26 -4.81 105.19 101.25 3iam n GLY 102 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3iam n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iam h LEU 103 N 0.00 0.69 0.10 0.99 3.38 -1.95 -1.79 115.31 116.73 3iam h LEU 103 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iam h LEU 103 Cb 0.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iam h LEU 103 CO 0.00 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.73 3iam h GLU 105 N -0.29 0.00 0.17 0.00 4.81 -1.54 -1.60 114.58 116.12 3iam h GLU 105 Ca -0.01 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 3iam h GLU 105 Cb 0.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.63 3iam h GLU 105 CO 0.02 0.00 -1.46 1.49 -0.73 0.00 0.00 179.01 178.33 3iam h GLU 106 N 0.00 0.36 -0.00 1.92 4.81 -0.96 -3.33 114.58 117.37 3iam h GLU 106 Ca 0.01 -0.61 -0.18 0.00 -0.13 0.00 0.00 59.36 58.45 3iam h GLU 106 Cb 0.08 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3iam h GLU 106 CO -0.00 1.26 -0.80 0.00 -0.73 0.00 0.00 179.01 178.74 3iam h ALA 107 N 0.38 0.65 -2.35 2.92 0.00 -0.35 -3.45 119.26 117.05 3iam h ALA 107 Ca -0.23 -0.70 -0.54 0.00 0.00 0.00 0.00 54.91 53.44 3iam h ALA 107 Cb 2.06 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 19.78 3iam h ALA 107 CO 0.21 0.92 1.17 0.00 0.00 0.00 0.00 179.25 181.55 3iam n PRO 109 N 6.72 0.39 -0.03 0.00 -0.04 -1.26 -4.05 135.00 136.73 3iam n PRO 109 Ca 0.20 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 3iam n PRO 109 Cb 0.38 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3iam n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3iam n THR 110 N -1.27 0.39 -1.22 0.52 -2.24 -1.26 -5.01 114.28 104.19 3iam n THR 110 Ca 0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3iam n THR 110 Cb 0.20 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 3iam n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iam n GLY 111 N 2.39 1.02 0.00 3.38 0.00 -1.26 -5.02 105.19 105.71 3iam n GLY 111 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3iam n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iam n ALA 112 N -1.04 0.00 -2.58 4.61 0.00 -1.26 -4.64 120.51 115.59 3iam n ALA 112 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3iam n ALA 112 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 3iam n ALA 112 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3iam s ILE 113 N -0.96 4.54 -0.15 0.00 1.10 -1.26 -1.38 121.20 123.09 3iam s ILE 113 Ca 0.00 1.83 -0.08 0.00 -0.51 0.00 0.00 60.65 61.89 3iam s ILE 113 Cb 0.00 -4.17 0.06 0.00 0.15 0.00 0.00 42.46 38.49 3iam s ILE 113 CO 0.00 0.03 0.36 -0.69 -2.11 0.00 0.00 174.94 172.53 3iam s VAL 114 N 1.89 -0.04 0.38 4.00 1.01 -0.80 -4.21 120.40 122.63 3iam s VAL 114 Ca 0.52 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 3iam s VAL 114 Cb -0.22 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 3iam s VAL 114 CO 0.22 0.05 1.31 -0.76 0.00 0.00 0.00 175.10 175.91 3iam s LEU 115 N 1.38 4.27 0.00 3.92 1.43 -1.26 -0.45 118.68 127.98 3iam s LEU 115 Ca -0.09 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 3iam s LEU 115 Cb -0.09 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.30 3iam s LEU 115 CO -0.12 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.31 3iam n GLY 116 N 0.69 3.51 0.00 -3.19 0.00 -0.31 -4.65 105.19 101.24 3iam n GLY 116 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3iam n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iam n TYR 117 N 0.00 0.00 -1.65 1.61 4.01 -1.26 -1.37 117.16 118.50 3iam n TYR 117 Ca 0.00 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.27 3iam n TYR 117 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3iam n TYR 117 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iam n ASP 118 N -1.88 2.64 0.00 7.72 9.92 -1.26 -4.65 116.55 129.04 3iam n ASP 118 Ca 0.00 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 3iam n ASP 118 Cb 0.44 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 3iam n ASP 118 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3iam n PHE 119 N 2.74 0.00 -2.12 1.24 1.16 -1.26 -1.37 117.46 117.85 3iam n PHE 119 Ca 0.16 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.45 3iam n PHE 119 Cb 0.28 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.10 3iam n PHE 119 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3iam s GLU 120 N -0.99 2.69 -0.08 3.97 2.02 -1.26 -4.65 118.70 120.39 3iam s GLU 120 Ca 0.00 -0.56 0.10 0.00 0.02 0.00 0.00 54.97 54.52 3iam s GLU 120 Cb 0.00 -5.14 0.20 0.00 0.10 0.00 0.00 34.13 29.30 3iam s GLU 120 CO 0.00 -3.33 1.14 0.00 0.02 0.00 0.00 175.26 173.09 3iam n MET 121 N 8.75 0.36 -2.14 1.61 0.00 -1.26 -4.70 117.12 119.73 3iam n MET 121 Ca 0.40 -1.44 -0.33 0.00 0.00 0.00 0.00 57.70 56.34 3iam n MET 121 Cb 0.47 0.23 0.00 0.00 0.00 0.00 0.00 33.22 33.92 3iam n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3iam s ALA 122 N -0.25 2.78 0.21 3.17 0.00 -1.26 -4.92 121.76 121.49 3iam s ALA 122 Ca 0.11 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 3iam s ALA 122 Cb 0.19 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 20.10 3iam s ALA 122 CO -0.06 -0.70 0.37 -3.47 0.00 0.00 0.00 175.76 171.90 3iam n ASP 123 N -1.83 -1.06 -0.12 0.00 -0.08 -1.26 -4.79 116.55 107.41 3iam n ASP 123 Ca 0.09 -1.99 -0.25 0.00 -1.51 0.00 0.00 54.79 51.13 3iam n ASP 123 Cb 0.53 1.85 -0.08 0.00 2.34 0.00 0.00 41.12 45.75 3iam n ASP 123 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3iam n TYR 124 N -0.32 0.00 -3.60 -0.67 4.01 -1.26 -4.92 117.16 110.40 3iam n TYR 124 Ca -0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.35 3iam n TYR 124 Cb 0.34 -0.85 -0.08 0.00 -0.31 0.00 0.00 39.34 38.44 3iam n TYR 124 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3iam s GLU 125 N -2.51 4.18 0.19 -0.72 2.02 -1.26 -5.00 118.70 115.61 3iam s GLU 125 Ca -0.34 -0.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.36 3iam s GLU 125 Cb 0.12 -3.47 0.11 0.00 0.10 0.00 0.00 34.13 31.00 3iam s GLU 125 CO 0.44 0.18 1.57 -0.92 0.02 0.00 0.00 175.26 176.54 3iam h TYR 126 N 6.96 -1.17 0.00 1.61 5.03 -2.02 0.34 116.97 127.73 3iam h TYR 126 Ca -0.40 0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.00 3iam h TYR 126 Cb 1.16 0.61 0.00 0.00 1.55 0.00 0.00 36.73 40.06 3iam h TYR 126 CO 0.62 -0.40 0.00 -1.13 -1.32 0.00 0.00 178.16 175.93 3iam n SER 127 N -5.42 0.00 -0.40 -2.11 3.41 -1.26 -1.32 113.62 106.52 3iam n SER 127 Ca 0.05 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.14 3iam n SER 127 Cb 0.36 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.70 3iam n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iam n ASP 128 N -0.84 1.41 -0.94 4.04 9.92 0.12 -4.02 116.55 126.23 3iam n ASP 128 Ca 0.08 -1.24 0.10 0.00 -0.53 0.00 0.00 54.79 53.20 3iam n ASP 128 Cb 0.04 0.10 0.15 0.00 -0.64 0.00 0.00 41.12 40.76 3iam n ASP 128 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3iam n LEU 129 N -0.16 3.04 -4.53 0.64 4.77 -0.43 -4.75 117.00 115.58 3iam n LEU 129 Ca 0.15 -1.32 -0.43 0.00 -0.03 0.00 0.00 56.01 54.38 3iam n LEU 129 Cb 0.38 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3iam n LEU 129 CO 0.22 0.61 0.53 0.54 -1.33 0.00 0.00 177.39 177.96 3iam s VAL 130 N -1.49 4.67 0.74 4.08 0.11 -1.26 -1.99 120.40 125.27 3iam s VAL 130 Ca 0.30 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.55 3iam s VAL 130 Cb 0.19 -4.32 0.04 0.00 -1.53 0.00 0.00 36.38 30.76 3iam s VAL 130 CO 0.27 -0.73 1.08 -0.31 -3.33 0.00 0.00 175.10 172.08 3iam s TYR 131 N 3.22 3.04 0.36 1.54 1.51 -0.72 -4.88 117.35 121.43 3iam s TYR 131 Ca 0.28 1.23 0.03 0.00 -1.01 0.00 0.00 57.07 57.60 3iam s TYR 131 Cb -0.13 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 3iam s TYR 131 CO 0.21 -1.46 0.09 0.20 -1.11 0.00 0.00 175.55 173.48 3iam s GLY 132 N -3.95 2.32 0.24 0.71 0.00 -1.26 -2.67 107.32 102.71 3iam s GLY 132 Ca 0.59 -1.64 -0.12 0.00 0.00 0.00 0.00 44.72 43.55 3iam s GLY 132 CO 0.54 -1.83 1.59 1.70 0.00 0.00 0.00 173.10 175.10 3iam h LYS 133 N 1.96 -0.02 0.00 2.90 3.64 -1.88 1.01 116.57 124.18 3iam h LYS 133 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3iam h LYS 133 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3iam h LYS 133 CO 0.64 -0.01 0.00 -0.85 -2.27 0.00 0.00 179.45 176.96 3iam n GLU 134 N -5.52 0.12 0.08 1.90 0.00 -1.26 -1.95 120.64 113.99 3iam n GLU 134 Ca 0.11 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.79 3iam n GLU 134 Cb 0.41 -1.74 0.02 0.00 0.00 0.00 0.00 31.44 30.13 3iam n GLU 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3iam n ASP 135 N -1.97 0.73 -0.02 -1.84 8.00 0.34 -4.44 116.55 117.35 3iam n ASP 135 Ca 0.02 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3iam n ASP 135 Cb 0.17 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 3iam n ASP 135 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3iam n MET 136 N -2.43 1.49 -0.77 -1.24 2.81 -0.86 -4.88 117.12 111.25 3iam n MET 136 Ca 0.01 -1.07 -0.30 0.00 -1.81 0.00 0.00 57.70 54.53 3iam n MET 136 Cb 0.51 -0.78 0.19 0.00 -0.71 0.00 0.00 33.22 32.44 3iam n MET 136 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3iam s LEU 137 N -0.58 1.99 0.27 4.03 1.02 -0.82 0.24 118.68 124.81 3iam s LEU 137 Ca 0.01 1.78 0.07 0.00 0.02 0.00 0.00 54.13 56.01 3iam s LEU 137 Cb 0.01 -4.01 0.36 0.00 0.02 0.00 0.00 46.19 42.57 3iam s LEU 137 CO 0.00 -3.38 1.63 -0.37 0.02 0.00 0.00 176.35 174.25 3iam h VAL 138 N -2.06 1.37 0.00 -1.59 -1.51 -1.74 -3.08 116.25 107.65 3iam h VAL 138 Ca -0.51 -1.82 -0.00 0.00 -1.23 0.00 0.00 66.70 63.13 3iam h VAL 138 Cb 1.29 1.91 -0.00 0.00 -2.13 0.00 0.00 31.29 32.36 3iam h VAL 138 CO 0.48 0.54 -0.02 -2.24 -1.23 0.00 0.00 177.57 175.09 3iam h ASP 139 N 0.14 0.00 -3.31 4.19 2.03 -1.91 -3.41 116.42 114.14 3iam h ASP 139 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3iam h ASP 139 Cb 0.99 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.44 3iam h ASP 139 CO 0.08 0.02 0.38 0.54 -1.03 0.00 0.00 179.24 179.23 3iam s VAL 140 N -3.80 4.88 -0.34 4.15 0.11 -1.16 -5.03 120.40 119.21 3iam s VAL 140 Ca -0.00 1.73 -0.12 0.00 -2.93 0.00 0.00 61.98 60.66 3iam s VAL 140 Cb 0.10 -4.18 -0.01 0.00 -1.53 0.00 0.00 36.38 30.76 3iam s VAL 140 CO 0.52 0.07 0.23 -0.69 -3.33 0.00 0.00 175.10 171.90 3iam s VAL 141 N 1.81 5.11 0.00 2.04 1.01 -1.26 -4.93 120.40 124.18 3iam s VAL 141 Ca 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3iam s VAL 141 Cb -0.17 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3iam s VAL 141 CO 0.16 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3iam n GLY 142 N 5.08 1.55 3.98 4.51 0.00 -1.26 -4.86 105.19 114.19 3iam n GLY 142 Ca -0.13 -2.02 -0.18 0.00 0.00 0.00 0.00 46.02 43.69 3iam n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iam s THR 143 N -2.05 2.84 0.02 2.61 -4.23 -1.26 -4.88 115.64 108.69 3iam s THR 143 Ca 0.00 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.36 3iam s THR 143 Cb 0.00 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 3iam s THR 143 CO 0.00 0.00 1.10 0.11 -0.54 0.00 0.00 174.62 175.29 3iam h LYS 144 N 0.70 -0.10 -0.87 3.99 1.57 -1.92 -0.29 116.57 119.66 3iam h LYS 144 Ca -0.39 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.51 3iam h LYS 144 Cb 1.28 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.48 3iam h LYS 144 CO 0.48 -0.07 -0.44 -1.00 -0.57 0.00 0.00 179.45 177.85 3iam h PRO 145 N -0.10 -0.07 -0.93 3.15 0.13 -1.90 0.17 132.00 132.45 3iam h PRO 145 Ca 0.01 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.29 3iam h PRO 145 Cb 0.12 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.19 3iam h PRO 145 CO -0.08 -0.04 0.59 1.96 -0.23 0.00 0.00 178.00 180.19 3iam h GLN 146 N -0.07 0.72 0.02 0.86 4.20 -1.71 -0.00 115.11 119.13 3iam h GLN 146 Ca 0.26 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.65 3iam h GLN 146 Cb 0.55 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3iam h GLN 146 CO -0.88 0.48 -1.46 0.00 -0.67 0.00 0.00 178.83 176.29 3iam h ARG 147 N 0.74 0.05 -0.32 1.46 3.08 -0.12 -2.82 114.38 116.45 3iam h ARG 147 Ca 0.47 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 60.28 3iam h ARG 147 Cb 0.72 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3iam h ARG 147 CO -0.23 0.78 -0.44 -0.09 -1.07 0.00 0.00 179.97 178.91 3iam h ARG 148 N 0.01 0.83 -0.08 0.04 2.43 -0.12 -2.64 114.38 114.86 3iam h ARG 148 Ca -0.20 -0.47 -0.19 0.00 -0.81 0.00 0.00 59.98 58.32 3iam h ARG 148 Cb 1.94 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.51 3iam h ARG 148 CO 0.11 1.10 -0.75 1.49 -1.51 0.00 0.00 179.97 180.41 3iam h GLU 149 N 0.67 0.45 0.00 0.20 4.81 -1.12 -2.53 114.58 117.06 3iam h GLU 149 Ca 0.04 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3iam h GLU 149 Cb 1.02 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3iam h GLU 149 CO 0.10 1.01 0.00 0.00 -0.73 0.00 0.00 179.01 179.39 3iam n ALA 150 N -2.52 2.37 -0.06 2.92 0.00 -1.06 -3.34 120.51 118.81 3iam n ALA 150 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3iam n ALA 150 Cb 0.72 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3iam n ALA 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3iam n LYS 151 N -0.87 0.00 0.00 0.00 3.00 -0.96 -2.87 118.16 116.46 3iam n LYS 151 Ca 0.14 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 3iam n LYS 151 Cb 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 34.28 3iam n LYS 151 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3iam n ARG 152 N -2.07 0.18 0.00 1.64 1.85 -1.21 -2.58 116.66 114.47 3iam n ARG 152 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3iam n ARG 152 Cb 0.00 -1.14 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 3iam n ARG 152 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3iam n THR 153 N 0.48 0.00 -1.67 8.89 -1.04 -1.21 -5.02 114.28 114.70 3iam n THR 153 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 3iam n THR 153 Cb 0.05 -0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.43 3iam n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iam n GLY 154 N 0.66 1.55 3.24 3.41 0.00 -1.07 -4.96 105.19 108.01 3iam n GLY 154 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3iam n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iam s LYS 155 N -3.80 2.91 0.58 1.61 2.47 -1.25 -5.09 119.74 117.17 3iam s LYS 155 Ca 0.00 -0.94 -0.18 0.00 -1.56 0.00 0.00 55.97 53.29 3iam s LYS 155 Cb 0.00 -3.08 -0.13 0.00 -1.46 0.00 0.00 37.83 33.16 3iam s LYS 155 CO 0.00 -0.41 -0.01 -2.30 0.16 0.00 0.00 175.35 172.79 3iam n PRO 156 N 4.72 0.12 -2.52 4.03 -0.02 -1.26 -4.62 135.00 135.45 3iam n PRO 156 Ca -0.16 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 3iam n PRO 156 Cb 0.47 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 3iam n PRO 156 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3iam s VAL 157 N -1.94 4.30 -0.26 -1.45 -7.23 -1.26 -5.03 120.40 107.53 3iam s VAL 157 Ca 0.58 1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 62.34 3iam s VAL 157 Cb -0.44 -4.07 -0.02 0.00 0.56 0.00 0.00 36.38 32.41 3iam s VAL 157 CO 0.65 0.14 0.09 -0.54 -0.31 0.00 0.00 175.10 175.12 3iam s LYS 158 N 0.96 3.57 0.15 4.82 1.02 -1.26 -5.08 119.74 123.91 3iam s LYS 158 Ca 0.56 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.73 3iam s LYS 158 Cb -0.27 -3.38 -0.07 0.00 -0.52 0.00 0.00 37.83 33.59 3iam s LYS 158 CO 0.29 -0.25 0.86 0.08 -0.92 0.00 0.00 175.35 175.42 3iam s VAL 159 N 1.61 4.39 -0.27 3.17 1.01 -1.26 -4.95 120.40 124.10 3iam s VAL 159 Ca 0.06 1.88 -0.03 0.00 0.00 0.00 0.00 61.98 63.88 3iam s VAL 159 Cb -0.16 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3iam s VAL 159 CO 0.04 0.44 2.77 0.61 0.00 0.00 0.00 175.10 178.96 3iam n GLY 160 N 1.87 3.80 3.50 4.51 0.00 -1.26 -4.90 105.19 112.72 3iam n GLY 160 Ca -0.02 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 3iam n GLY 160 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iam n TYR 161 N 1.23 -2.20 -3.56 1.61 0.18 -1.26 -2.98 117.16 110.18 3iam n TYR 161 Ca 0.39 -1.68 -0.14 0.00 1.88 0.00 0.00 57.90 58.35 3iam n TYR 161 Cb 0.65 0.84 -0.05 0.00 -0.38 0.00 0.00 39.34 40.40 3iam n TYR 161 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3iam s VAL 162 N -2.16 0.03 0.05 -3.48 -7.23 -0.85 -4.79 120.40 101.97 3iam s VAL 162 Ca 0.15 -0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.06 3iam s VAL 162 Cb -0.04 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 3iam s VAL 162 CO 0.11 -0.12 0.06 0.68 -0.31 0.00 0.00 175.10 175.51 3iam s VAL 163 N -2.57 0.16 0.13 1.32 -7.23 -1.20 -1.76 120.40 109.25 3iam s VAL 163 Ca -0.05 -1.34 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 3iam s VAL 163 Cb -0.01 -1.13 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 3iam s VAL 163 CO -0.03 -0.74 1.61 1.55 -0.31 0.00 0.00 175.10 177.18 3iam h PRO 164 N 3.42 0.71 -2.40 4.82 0.13 -1.82 -3.12 132.00 133.74 3iam h PRO 164 Ca -0.33 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 3iam h PRO 164 Cb 1.17 -0.08 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 3iam h PRO 164 CO 0.56 0.75 0.21 1.52 -0.23 0.00 0.00 178.00 180.81 3iam s TYR 165 N -5.17 -0.60 -0.16 1.56 -0.85 -1.26 -4.53 117.35 106.34 3iam s TYR 165 Ca -0.13 0.79 -0.21 0.00 -0.52 0.00 0.00 57.07 57.00 3iam s TYR 165 Cb 0.10 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 3iam s TYR 165 CO 0.79 -0.70 0.61 0.14 -1.52 0.00 0.00 175.55 174.86 3iam s VAL 166 N -2.25 5.06 0.51 -3.49 -7.23 -1.26 -4.66 120.40 107.09 3iam s VAL 166 Ca -0.06 1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 61.12 3iam s VAL 166 Cb -0.00 -3.93 -0.14 0.00 0.56 0.00 0.00 36.38 32.86 3iam s VAL 166 CO 0.00 0.18 -0.15 0.54 -0.31 0.00 0.00 175.10 175.36 3iam n ARG 167 N 4.51 0.00 -0.31 4.82 1.74 -1.26 -4.82 116.66 121.34 3iam n ARG 167 Ca -0.03 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.15 3iam n ARG 167 Cb 0.50 -0.96 0.27 0.00 -1.02 0.00 0.00 32.46 31.25 3iam n ARG 167 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3iam h PRO 168 N -0.06 0.61 -0.16 5.56 0.11 -1.97 -2.18 132.00 133.91 3iam h PRO 168 Ca -0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3iam h PRO 168 Cb 1.39 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3iam h PRO 168 CO 0.39 0.40 -0.05 0.93 -0.21 0.00 0.00 178.00 179.47 3iam h GLU 169 N 0.63 0.24 -1.40 1.05 3.07 -2.00 -3.02 114.58 113.14 3iam h GLU 169 Ca 0.51 -0.04 -0.35 0.00 -0.50 0.00 0.00 59.36 58.98 3iam h GLU 169 Cb 0.80 -0.04 -0.16 0.00 -0.84 0.00 0.00 28.75 28.51 3iam h GLU 169 CO -0.40 0.31 0.45 1.28 -1.40 0.00 0.00 179.01 179.25 3iam n LEU 170 N -4.35 6.39 -4.58 1.33 4.77 -0.82 -4.95 117.00 114.78 3iam n LEU 170 Ca -0.01 -3.30 -0.52 0.00 -0.03 0.00 0.00 56.01 52.15 3iam n LEU 170 Cb 0.20 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 3iam n LEU 170 CO 0.37 1.19 0.84 1.21 -1.33 0.00 0.00 177.39 179.67 3iam n GLU 171 N 0.12 1.07 0.00 3.23 4.07 -1.14 -1.55 120.64 126.44 3iam n GLU 171 Ca 0.33 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.82 3iam n GLU 171 Cb 0.66 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 3iam n GLU 171 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iam n GLY 172 N 2.36 3.11 3.47 8.31 0.00 -1.26 -4.81 105.19 116.36 3iam n GLY 172 Ca 0.18 -0.88 -0.47 0.00 0.00 0.00 0.00 46.02 44.84 3iam n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iam n PHE 173 N 0.00 1.46 -2.83 1.61 7.35 -0.59 -4.88 117.46 119.58 3iam n PHE 173 Ca 0.00 0.26 -0.43 0.00 -0.76 0.00 0.00 57.45 56.52 3iam n PHE 173 Cb 0.00 -2.53 -0.04 0.00 0.35 0.00 0.00 39.48 37.26 3iam n PHE 173 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3iam s LYS 174 N 6.83 3.41 0.08 -4.13 1.02 -1.26 -5.00 119.74 120.69 3iam s LYS 174 Ca 1.11 -0.09 0.04 0.00 0.02 0.00 0.00 55.97 57.05 3iam s LYS 174 Cb -0.80 -4.00 -0.03 0.00 -0.52 0.00 0.00 37.83 32.48 3iam s LYS 174 CO 0.45 -1.39 -0.12 0.00 -0.92 0.00 0.00 175.35 173.38 3iam s ALA 175 N 3.89 1.11 -0.76 5.17 0.00 -1.26 -4.97 121.76 124.94 3iam s ALA 175 Ca 0.33 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 3iam s ALA 175 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3iam s ALA 175 CO 0.22 0.06 1.91 -1.25 0.00 0.00 0.00 175.76 176.69 3iam s PRO 176 N -2.23 2.59 -0.31 0.00 0.04 -1.26 -4.86 135.00 128.98 3iam s PRO 176 Ca 0.01 0.16 0.16 0.00 0.04 0.00 0.00 61.00 61.37 3iam s PRO 176 Cb -0.07 -4.73 0.48 0.00 0.04 0.00 0.00 34.50 30.22 3iam s PRO 176 CO 0.01 -3.06 1.08 0.25 0.04 0.00 0.00 177.00 175.32 3iam n THR 177 N 7.55 1.57 0.31 1.26 -2.24 -1.26 -3.27 114.28 118.20 3iam n THR 177 Ca 0.30 -3.46 0.12 0.00 -2.27 0.00 0.00 64.05 58.75 3iam n THR 177 Cb 0.49 0.35 0.66 0.00 -2.10 0.00 0.00 70.33 69.73 3iam n THR 177 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3iam h GLU 178 N 2.63 0.00 0.00 -0.78 4.39 -1.89 -3.43 114.58 115.50 3iam h GLU 178 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3iam h GLU 178 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3iam h GLU 178 CO 0.46 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.72