#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icl s ASN 8 N 0.00 2.65 0.45 3.54 3.84 -1.26 -4.96 114.94 119.20 3icl s ASN 8 Ca 0.00 -2.93 0.30 0.00 0.21 0.00 0.00 52.86 50.45 3icl s ASN 8 Cb 0.00 -0.72 1.30 0.00 -0.55 0.00 0.00 41.25 41.28 3icl s ASN 8 CO 0.00 -0.20 1.90 0.08 -2.79 0.00 0.00 177.10 176.09 3icl h ARG 9 N 6.08 0.00 0.04 0.43 0.11 -2.06 -2.44 114.38 116.54 3icl h ARG 9 Ca 0.16 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.01 3icl h ARG 9 Cb 0.90 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 3icl h ARG 9 CO 0.42 0.00 -1.05 1.96 0.10 0.00 0.00 179.97 181.40 3icl h GLN 10 N 0.00 0.11 -0.27 0.08 1.08 -2.00 -2.92 115.11 111.19 3icl h GLN 10 Ca 0.00 -0.18 -0.18 0.00 -1.45 0.00 0.00 58.65 56.84 3icl h GLN 10 Cb 0.40 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3icl h GLN 10 CO 0.00 1.05 -0.53 1.25 -0.95 0.00 0.00 178.83 179.66 3icl h LEU 11 N 0.04 0.88 -1.47 1.46 5.85 -1.86 -2.14 115.31 118.07 3icl h LEU 11 Ca -0.05 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 3icl h LEU 11 Cb 1.78 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 3icl h LEU 11 CO 0.15 1.23 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.99 3icl h PHE 12 N 0.61 0.00 -0.20 1.25 0.04 -1.54 -1.85 116.94 115.25 3icl h PHE 12 Ca 0.02 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.58 3icl h PHE 12 Cb 1.12 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.27 3icl h PHE 12 CO 0.06 0.24 -0.69 0.00 -0.60 0.00 0.00 178.31 177.32 3icl h ASP 14 N 0.59 0.00 0.00 0.00 3.32 -0.88 -2.51 116.42 116.94 3icl h ASP 14 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3icl h ASP 14 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3icl h ASP 14 CO 0.15 0.29 0.00 0.54 -1.72 0.00 0.00 179.24 178.50 3icl n ARG 15 N -3.67 0.00 0.17 3.56 1.74 -0.74 -4.78 116.66 112.93 3icl n ARG 15 Ca -0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 3icl n ARG 15 Cb 0.41 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.77 3icl n ARG 15 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3icl h LEU 16 N 0.00 -0.38 -0.41 0.55 5.85 -1.57 -2.76 115.31 116.60 3icl h LEU 16 Ca 0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3icl h LEU 16 Cb 0.00 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3icl h LEU 16 CO 0.00 -0.25 0.18 -0.07 -0.34 0.00 0.00 178.44 177.96 3icl h LEU 17 N -0.39 0.23 -1.15 2.25 3.38 -1.29 0.55 115.31 118.89 3icl h LEU 17 Ca -0.02 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3icl h LEU 17 Cb 0.32 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3icl h LEU 17 CO 0.03 0.17 -0.11 0.06 0.09 0.00 0.00 178.44 178.68 3icl h GLN 18 N 0.36 0.46 -0.58 1.13 -0.00 -1.50 -2.33 115.11 112.65 3icl h GLN 18 Ca 0.18 -0.13 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 3icl h GLN 18 Cb 0.13 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 27.53 3icl h GLN 18 CO -0.15 0.58 0.03 0.00 -0.00 0.00 0.00 178.83 179.29 3icl h ALA 19 N 1.46 0.96 0.00 0.06 0.00 -0.98 -2.10 119.26 118.65 3icl h ALA 19 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3icl h ALA 19 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3icl h ALA 19 CO 0.03 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.19 3icl n LEU 20 N -4.20 0.60 -0.04 0.00 4.77 0.09 -2.57 117.00 115.64 3icl n LEU 20 Ca 0.03 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 3icl n LEU 20 Cb 0.31 -0.52 0.28 0.00 -2.33 0.00 0.00 43.42 41.16 3icl n LEU 20 CO 0.43 -0.44 0.49 0.00 -1.33 0.00 0.00 177.39 176.54 3icl n ALA 21 N -1.74 3.46 -1.05 -1.18 0.00 -0.80 -4.65 120.51 114.55 3icl n ALA 21 Ca 0.03 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 3icl n ALA 21 Cb 0.26 -1.13 0.12 0.00 0.00 0.00 0.00 19.45 18.71 3icl n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3icl s ALA 22 N -2.91 1.91 0.21 0.00 0.00 -1.06 -5.05 121.76 114.86 3icl s ALA 22 Ca 0.13 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 3icl s ALA 22 Cb 0.18 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3icl s ALA 22 CO 0.67 -2.18 0.17 -3.38 0.00 0.00 0.00 175.76 171.03 3icl s HIS 23 N -2.59 1.08 -0.53 0.00 -3.43 -1.26 -5.03 115.29 103.53 3icl s HIS 23 Ca 0.66 -1.31 -0.28 0.00 -0.80 0.00 0.00 55.06 53.32 3icl s HIS 23 Cb -0.22 -0.48 0.03 0.00 -1.43 0.00 0.00 32.58 30.48 3icl s HIS 23 CO 0.54 -0.68 1.15 -1.21 -2.00 0.00 0.00 174.74 172.54 3icl s GLU 24 N -4.14 3.61 -0.79 -0.38 2.02 -1.26 -4.95 118.70 112.82 3icl s GLU 24 Ca 0.37 0.38 -0.25 0.00 0.02 0.00 0.00 54.97 55.49 3icl s GLU 24 Cb 0.06 -3.96 -0.06 0.00 0.10 0.00 0.00 34.13 30.27 3icl s GLU 24 CO 0.12 -1.52 2.07 1.03 0.02 0.00 0.00 175.26 176.97 3icl s ARG 25 N 4.66 2.33 0.00 1.61 1.81 -1.26 -4.83 118.95 123.27 3icl s ARG 25 Ca 0.45 0.19 -0.00 0.00 -1.72 0.00 0.00 55.73 54.64 3icl s ARG 25 Cb -0.07 -4.83 -0.00 0.00 -0.45 0.00 0.00 34.95 29.59 3icl s ARG 25 CO 0.28 -3.48 0.01 -0.25 -0.68 0.00 0.00 175.30 171.18 3icl n ASP 26 N 14.91 -0.00 0.00 0.23 10.43 -1.26 -3.34 116.55 137.51 3icl n ASP 26 Ca 0.37 0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.74 3icl n ASP 26 Cb 0.48 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.43 3icl n ASP 26 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3icl n GLY 27 N 0.01 3.01 3.34 0.44 0.00 -1.26 -5.04 105.19 105.69 3icl n GLY 27 Ca 0.00 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 3icl n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icl s ASN 28 N 0.00 3.98 0.82 1.61 2.20 -1.21 -5.12 114.94 117.23 3icl s ASN 28 Ca 0.00 -0.36 -0.11 0.00 -0.94 0.00 0.00 52.86 51.45 3icl s ASN 28 Cb 0.00 -1.62 0.09 0.00 -2.00 0.00 0.00 41.25 37.72 3icl s ASN 28 CO 0.00 0.13 1.10 -2.16 -2.94 0.00 0.00 177.10 173.23 3icl s PRO 29 N 0.56 1.82 0.18 3.55 0.04 -1.26 -4.51 135.00 135.38 3icl s PRO 29 Ca -0.08 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.23 3icl s PRO 29 Cb -0.16 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3icl s PRO 29 CO 0.03 -1.97 0.13 0.14 0.04 0.00 0.00 177.00 175.38 3icl s VAL 30 N -2.84 4.38 -0.35 -0.36 -7.23 -1.26 -3.74 120.40 108.99 3icl s VAL 30 Ca 0.63 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 3icl s VAL 30 Cb -0.19 -3.25 0.11 0.00 0.56 0.00 0.00 36.38 33.61 3icl s VAL 30 CO 0.57 -0.15 0.12 -0.69 -0.31 0.00 0.00 175.10 174.64 3icl s VAL 31 N -1.81 1.30 1.33 1.32 1.01 -1.01 -1.88 120.40 120.66 3icl s VAL 31 Ca 0.31 -1.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 3icl s VAL 31 Cb -0.10 -1.96 0.33 0.00 0.00 0.00 0.00 36.38 34.66 3icl s VAL 31 CO 0.23 -0.71 1.00 -0.22 0.00 0.00 0.00 175.10 175.39 3icl s LEU 32 N 1.16 -0.35 -0.30 3.92 0.20 -0.65 -2.41 118.68 120.24 3icl s LEU 32 Ca 0.12 0.84 -0.05 0.00 0.69 0.00 0.00 54.13 55.73 3icl s LEU 32 Cb -0.19 -2.41 0.17 0.00 -0.43 0.00 0.00 46.19 43.33 3icl s LEU 32 CO -0.16 -4.87 0.68 -0.76 -0.29 0.00 0.00 176.35 170.96 3icl s LEU 33 N -7.50 -1.19 -0.25 -0.68 1.43 0.07 -3.73 118.68 106.82 3icl s LEU 33 Ca 0.69 0.98 -0.06 0.00 -1.03 0.00 0.00 54.13 54.71 3icl s LEU 33 Cb -0.13 2.09 -0.01 0.00 0.03 0.00 0.00 46.19 48.17 3icl s LEU 33 CO 0.58 -0.22 0.04 0.12 0.23 0.00 0.00 176.35 177.09 3icl s PHE 34 N 2.86 3.06 -0.04 0.29 5.36 0.22 -0.58 117.98 129.15 3icl s PHE 34 Ca 0.11 -0.74 0.04 0.00 -0.96 0.00 0.00 56.93 55.38 3icl s PHE 34 Cb -0.13 -2.20 -0.00 0.00 -0.34 0.00 0.00 43.02 40.34 3icl s PHE 34 CO -0.19 -0.48 -0.16 -1.17 -1.46 0.00 0.00 175.22 171.76 3icl s LEU 35 N 1.54 1.90 -0.01 6.12 0.20 -0.74 0.21 118.68 127.90 3icl s LEU 35 Ca 0.05 -0.33 0.08 0.00 0.69 0.00 0.00 54.13 54.62 3icl s LEU 35 Cb -0.15 -0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 3icl s LEU 35 CO 0.01 0.14 -0.25 -0.62 -0.29 0.00 0.00 176.35 175.35 3icl s ASP 36 N 0.05 2.89 -0.56 3.68 2.15 -0.38 -1.99 116.67 122.52 3icl s ASP 36 Ca -0.04 -0.46 -0.27 0.00 0.43 0.00 0.00 52.55 52.22 3icl s ASP 36 Cb -0.11 -0.31 0.03 0.00 -0.30 0.00 0.00 42.92 42.23 3icl s ASP 36 CO 0.02 0.29 1.09 -0.69 -0.17 0.00 0.00 175.17 175.71 3icl s VAL 37 N -0.60 4.18 0.27 1.11 1.01 -1.26 -2.52 120.40 122.58 3icl s VAL 37 Ca 0.10 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 3icl s VAL 37 Cb -0.09 -4.64 -0.14 0.00 0.00 0.00 0.00 36.38 31.51 3icl s VAL 37 CO -0.01 -1.21 1.13 0.47 0.00 0.00 0.00 175.10 175.48 3icl n ASP 38 N 8.00 1.67 -3.28 3.32 8.00 -0.28 -1.92 116.55 132.06 3icl n ASP 38 Ca 0.06 1.17 -0.22 0.00 0.71 0.00 0.00 54.79 56.51 3icl n ASP 38 Cb 0.48 -1.32 -0.00 0.00 -0.02 0.00 0.00 41.12 40.27 3icl n ASP 38 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3icl n ASN 39 N 1.45 -3.71 -0.27 -2.24 3.02 -1.26 -4.70 115.26 107.55 3icl n ASN 39 Ca 0.10 -0.34 -0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3icl n ASN 39 Cb 0.31 -3.08 0.20 0.00 -0.61 0.00 0.00 39.78 36.60 3icl n ASN 39 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3icl h PHE 40 N -0.89 1.06 -0.16 3.10 3.57 -1.79 -2.50 116.94 119.32 3icl h PHE 40 Ca -0.41 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.15 3icl h PHE 40 Cb 1.28 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 3icl h PHE 40 CO 0.67 0.67 -0.09 -0.22 -2.23 0.00 0.00 178.31 177.11 3icl h LYS 41 N 1.14 -0.07 -0.84 1.11 3.64 -1.88 0.66 116.57 120.32 3icl h LYS 41 Ca 0.31 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3icl h LYS 41 Cb -0.13 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3icl h LYS 41 CO -0.07 -0.05 0.55 0.77 -2.27 0.00 0.00 179.45 178.39 3icl h SER 42 N -0.08 0.95 -0.25 4.20 0.02 -1.90 0.37 113.55 116.86 3icl h SER 42 Ca 0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3icl h SER 42 Cb 0.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3icl h SER 42 CO -0.21 0.68 0.16 0.40 -1.14 0.00 0.00 176.83 176.71 3icl h ILE 43 N 1.12 1.07 -0.65 3.27 2.04 -0.97 -1.36 117.51 122.03 3icl h ILE 43 Ca 0.31 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 3icl h ILE 43 Cb -0.10 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3icl h ILE 43 CO -0.08 0.07 0.21 -1.13 0.00 0.00 0.00 178.15 177.22 3icl h ASN 44 N 0.33 0.91 0.67 1.72 -0.73 -0.41 0.12 115.58 118.19 3icl h ASN 44 Ca 0.09 -0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.03 3icl h ASN 44 Cb -0.02 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 3icl h ASN 44 CO -0.02 0.85 -0.37 0.44 -0.37 0.00 0.00 177.43 177.96 3icl h ASP 45 N 0.95 0.00 0.13 1.15 3.32 -0.63 -1.49 116.42 119.86 3icl h ASP 45 Ca 0.21 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.90 3icl h ASP 45 Cb 0.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3icl h ASP 45 CO -0.01 0.37 -2.13 -1.54 -1.72 0.00 0.00 179.24 174.21 3icl n SER 46 N -3.68 1.69 -0.30 6.45 3.41 -0.54 -4.51 113.62 116.14 3icl n SER 46 Ca -0.01 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 3icl n SER 46 Cb 0.47 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 3icl n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3icl n LEU 47 N -3.28 1.63 0.00 1.04 4.77 0.38 -5.09 117.00 116.44 3icl n LEU 47 Ca -0.34 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 3icl n LEU 47 Cb 1.04 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3icl n LEU 47 CO 0.38 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3icl n GLY 48 N 1.45 0.59 0.19 -0.72 0.00 -0.56 -4.37 105.19 101.78 3icl n GLY 48 Ca 0.07 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.46 3icl n GLY 48 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3icl h HIS 49 N 0.00 0.02 -0.84 1.61 2.07 -1.95 -1.21 115.15 114.84 3icl h HIS 49 Ca 0.00 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3icl h HIS 49 Cb 0.00 -0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.93 3icl h HIS 49 CO 0.00 0.36 0.49 -0.07 -3.07 0.00 0.00 177.93 175.65 3icl h LEU 50 N 0.02 1.02 -0.02 6.12 3.38 -1.94 0.32 115.31 124.21 3icl h LEU 50 Ca -0.00 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 3icl h LEU 50 Cb 0.62 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.13 3icl h LEU 50 CO 0.05 0.80 -0.81 0.58 0.09 0.00 0.00 178.44 179.15 3icl h VAL 51 N 1.16 1.35 -0.55 1.22 2.07 -1.69 -2.60 116.25 117.21 3icl h VAL 51 Ca 0.30 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3icl h VAL 51 Cb -0.02 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3icl h VAL 51 CO -0.05 0.64 0.36 1.23 0.02 0.00 0.00 177.57 179.77 3icl h GLY 52 N 0.18 0.78 0.95 2.17 0.00 -0.94 -0.68 103.07 105.53 3icl h GLY 52 Ca -0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3icl h GLY 52 CO 0.16 0.30 0.13 -0.55 0.00 0.00 0.00 176.54 176.58 3icl h ASP 53 N 0.75 0.29 -0.91 0.19 3.45 -0.43 -1.51 116.42 118.26 3icl h ASP 53 Ca 0.20 -0.08 0.06 0.00 0.43 0.00 0.00 57.03 57.64 3icl h ASP 53 Cb -0.06 -0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 38.57 3icl h ASP 53 CO -0.04 0.29 0.59 -0.09 -1.57 0.00 0.00 179.24 178.42 3icl h ARG 54 N 0.27 1.03 -0.63 3.56 2.43 -1.07 -0.37 114.38 119.60 3icl h ARG 54 Ca 0.08 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3icl h ARG 54 Cb 0.06 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3icl h ARG 54 CO -0.01 0.68 0.24 1.25 -1.51 0.00 0.00 179.97 180.62 3icl h LEU 55 N 1.06 0.87 -0.39 3.80 5.85 -0.64 0.50 115.31 126.36 3icl h LEU 55 Ca 0.38 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3icl h LEU 55 Cb 0.14 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3icl h LEU 55 CO -0.14 0.81 0.06 -0.07 -0.34 0.00 0.00 178.44 178.77 3icl h LEU 56 N 0.88 0.62 -0.49 2.25 3.38 -0.26 0.04 115.31 121.73 3icl h LEU 56 Ca 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3icl h LEU 56 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3icl h LEU 56 CO -0.02 0.72 0.16 0.03 0.09 0.00 0.00 178.44 179.43 3icl h ARG 57 N 0.49 0.75 -0.47 1.13 3.08 -0.86 -2.19 114.38 116.32 3icl h ARG 57 Ca 0.12 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3icl h ARG 57 Cb 0.37 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3icl h ARG 57 CO 0.01 0.70 0.12 0.00 -1.07 0.00 0.00 179.97 179.73 3icl h ALA 58 N 1.02 0.62 -0.42 0.04 0.00 -0.79 -2.63 119.26 117.10 3icl h ALA 58 Ca 0.16 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3icl h ALA 58 Cb 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3icl h ALA 58 CO -0.01 0.29 0.11 1.15 0.00 0.00 0.00 179.25 180.80 3icl h THR 59 N 0.63 0.82 -0.83 0.00 2.02 -0.80 -0.73 112.91 114.01 3icl h THR 59 Ca 0.15 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3icl h THR 59 Cb 0.31 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3icl h THR 59 CO -0.00 0.05 0.53 0.00 0.37 0.00 0.00 175.52 176.47 3icl h ALA 60 N 1.30 1.05 -0.28 6.16 0.00 -1.25 -0.60 119.26 125.64 3icl h ALA 60 Ca 0.20 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3icl h ALA 60 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3icl h ALA 60 CO -0.23 0.48 -0.22 0.93 0.00 0.00 0.00 179.25 180.21 3icl h GLU 61 N 1.13 0.53 -0.29 0.00 4.39 -1.05 -0.71 114.58 118.59 3icl h GLU 61 Ca 0.30 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 3icl h GLU 61 Cb -0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3icl h GLU 61 CO -0.06 0.72 0.02 0.00 -1.16 0.00 0.00 179.01 178.53 3icl h ARG 62 N 0.48 0.49 -0.34 2.33 3.08 -0.49 -2.21 114.38 117.71 3icl h ARG 62 Ca 0.07 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3icl h ARG 62 Cb 0.65 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3icl h ARG 62 CO 0.05 0.62 0.15 0.82 -1.07 0.00 0.00 179.97 180.53 3icl h ILE 63 N 0.29 0.95 -0.63 2.04 2.04 -0.88 -1.65 117.51 119.68 3icl h ILE 63 Ca 0.08 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 65.95 3icl h ILE 63 Cb 0.39 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3icl h ILE 63 CO 0.01 0.06 0.42 0.03 0.00 0.00 0.00 178.15 178.67 3icl h ARG 64 N 0.31 0.37 0.00 2.37 3.08 -0.94 0.30 114.38 119.88 3icl h ARG 64 Ca 0.15 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3icl h ARG 64 Cb 0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3icl h ARG 64 CO -0.12 0.25 -0.21 1.15 -1.07 0.00 0.00 179.97 179.96 3icl h THR 65 N 0.38 0.41 -0.00 2.04 2.02 -0.68 -3.28 112.91 113.79 3icl h THR 65 Ca 0.29 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.11 3icl h THR 65 Cb 0.63 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 3icl h THR 65 CO -0.08 0.21 -0.56 0.00 0.37 0.00 0.00 175.52 175.46 3icl n ALA 66 N -2.17 3.70 -2.22 6.16 0.00 0.06 -4.96 120.51 121.09 3icl n ALA 66 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 3icl n ALA 66 Cb 0.55 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.97 3icl n ALA 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3icl s VAL 67 N -2.91 3.57 0.77 0.00 -7.23 -1.01 -4.57 120.40 109.02 3icl s VAL 67 Ca 0.13 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 3icl s VAL 67 Cb 0.17 -3.31 0.05 0.00 0.56 0.00 0.00 36.38 33.86 3icl s VAL 67 CO 0.70 -0.20 1.08 -0.13 -0.31 0.00 0.00 175.10 176.24 3icl s ARG 68 N -4.56 2.31 0.44 4.82 0.52 -1.26 -4.92 118.95 116.30 3icl s ARG 68 Ca 0.51 0.98 0.24 0.00 -0.52 0.00 0.00 55.73 56.94 3icl s ARG 68 Cb -0.10 -1.92 1.24 0.00 0.52 0.00 0.00 34.95 34.69 3icl s ARG 68 CO 0.37 -1.55 1.79 0.22 0.02 0.00 0.00 175.30 176.14 3icl h ASP 69 N -1.05 0.31 -0.64 0.23 -0.00 -1.98 -0.93 116.42 112.35 3icl h ASP 69 Ca -0.45 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.64 3icl h ASP 69 Cb 1.24 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 3icl h ASP 69 CO 0.54 0.06 0.00 0.61 -0.00 0.00 0.00 179.24 180.45 3icl n GLY 70 N -1.56 2.80 3.88 -0.78 0.00 -1.26 -4.96 105.19 103.31 3icl n GLY 70 Ca 0.25 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3icl n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3icl s ASP 71 N -0.86 6.27 0.18 1.61 -0.00 -0.35 -3.84 116.67 119.67 3icl s ASP 71 Ca 0.53 0.33 0.10 0.00 -0.00 0.00 0.00 52.55 53.51 3icl s ASP 71 Cb 0.36 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.92 41.28 3icl s ASP 71 CO 0.23 0.28 -0.17 0.42 -0.00 0.00 0.00 175.17 175.92 3icl s THR 72 N -1.28 2.78 -0.02 -1.27 -4.23 -0.80 -4.87 115.64 105.94 3icl s THR 72 Ca 0.26 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 3icl s THR 72 Cb -0.12 -2.35 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 3icl s THR 72 CO 0.17 -0.10 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.35 3icl s VAL 73 N -1.64 0.96 -0.06 2.29 1.01 -1.26 -1.62 120.40 120.07 3icl s VAL 73 Ca 0.22 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3icl s VAL 73 Cb -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3icl s VAL 73 CO 0.12 0.28 0.15 0.00 0.00 0.00 0.00 175.10 175.65 3icl s ALA 74 N -0.05 -0.33 0.25 5.51 0.00 -0.47 -5.00 121.76 121.67 3icl s ALA 74 Ca 0.00 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 3icl s ALA 74 Cb -0.07 -0.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 3icl s ALA 74 CO 0.00 -0.10 0.85 1.03 0.00 0.00 0.00 175.76 177.54 3icl s ARG 75 N 0.50 4.54 0.21 0.00 0.52 -1.26 -0.68 118.95 122.77 3icl s ARG 75 Ca -0.04 1.20 -0.16 0.00 -0.52 0.00 0.00 55.73 56.22 3icl s ARG 75 Cb -0.05 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.45 3icl s ARG 75 CO -0.02 0.40 0.50 0.96 0.02 0.00 0.00 175.30 177.16 3icl s ILE 76 N -1.43 0.02 -1.65 1.52 -5.25 -0.41 -3.63 121.20 110.37 3icl s ILE 76 Ca 0.44 -1.01 0.00 0.00 -0.99 0.00 0.00 60.65 59.09 3icl s ILE 76 Cb -0.20 -1.78 0.00 0.00 2.95 0.00 0.00 42.46 43.43 3icl s ILE 76 CO 0.25 -0.11 0.00 0.61 -1.79 0.00 0.00 174.94 173.90 3icl n GLY 77 N -0.34 0.89 3.58 6.27 0.00 -1.26 -0.95 105.19 113.37 3icl n GLY 77 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3icl n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icl n GLY 78 N -0.51 1.92 0.73 -0.02 0.00 -1.26 -4.33 105.19 101.72 3icl n GLY 78 Ca -0.18 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.71 3icl n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3icl n ASP 79 N 3.79 1.53 -4.68 1.61 5.68 -1.23 -5.07 116.55 118.18 3icl n ASP 79 Ca 0.00 -3.20 -0.28 0.00 -0.50 0.00 0.00 54.79 50.80 3icl n ASP 79 Cb 0.00 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 39.45 3icl n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3icl s LYS 80 N -2.20 2.07 -0.02 0.11 3.01 -0.13 -4.15 119.74 118.43 3icl s LYS 80 Ca 0.34 -2.12 -0.03 0.00 -1.01 0.00 0.00 55.97 53.14 3icl s LYS 80 Cb 0.34 -1.69 0.00 0.00 -1.01 0.00 0.00 37.83 35.47 3icl s LYS 80 CO -0.07 -0.15 0.07 -0.06 0.51 0.00 0.00 175.35 175.65 3icl s PHE 81 N -2.73 -0.05 0.02 3.18 0.08 -0.84 -1.29 117.98 116.35 3icl s PHE 81 Ca 0.30 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.54 3icl s PHE 81 Cb 0.07 0.00 -0.02 0.00 -0.57 0.00 0.00 43.02 42.50 3icl s PHE 81 CO 0.16 -0.07 -0.22 -0.08 -0.10 0.00 0.00 175.22 174.90 3icl s THR 82 N -0.18 1.79 -0.10 0.64 -1.32 0.14 -1.79 115.64 114.81 3icl s THR 82 Ca -0.02 -1.11 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 3icl s THR 82 Cb -0.02 -1.51 0.02 0.00 -1.51 0.00 0.00 72.50 69.48 3icl s THR 82 CO 0.00 0.37 -0.10 -0.63 -2.21 0.00 0.00 174.62 172.05 3icl s ILE 83 N -0.67 1.10 -0.24 5.08 1.09 0.25 -1.36 121.20 126.45 3icl s ILE 83 Ca 0.09 -0.38 -0.08 0.00 -1.10 0.00 0.00 60.65 59.18 3icl s ILE 83 Cb -0.09 -1.06 -0.04 0.00 -1.06 0.00 0.00 42.46 40.21 3icl s ILE 83 CO 0.01 0.37 0.10 -0.22 -0.10 0.00 0.00 174.94 175.09 3icl s LEU 84 N 1.29 3.68 -0.32 2.97 2.96 -0.64 -0.75 118.68 127.88 3icl s LEU 84 Ca -0.03 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 3icl s LEU 84 Cb -0.14 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3icl s LEU 84 CO -0.04 0.02 0.17 -0.76 -1.32 0.00 0.00 176.35 174.43 3icl s LEU 85 N 1.28 4.19 -0.56 -0.68 1.43 -1.01 -1.91 118.68 121.42 3icl s LEU 85 Ca 0.05 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 3icl s LEU 85 Cb -0.15 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.14 3icl s LEU 85 CO 0.04 -0.20 0.63 0.20 0.23 0.00 0.00 176.35 177.26 3icl s ASN 86 N 1.64 6.19 0.00 2.29 0.01 -1.25 -2.39 114.94 121.43 3icl s ASN 86 Ca 0.05 -1.44 0.00 0.00 -0.71 0.00 0.00 52.86 50.76 3icl s ASN 86 Cb -0.17 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3icl s ASN 86 CO 0.07 -1.01 0.00 0.61 -1.51 0.00 0.00 177.10 175.27 3icl n GLY 87 N 5.26 2.97 3.79 0.66 0.00 -1.25 -4.89 105.19 111.74 3icl n GLY 87 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3icl n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icl n ALA 88 N 0.00 0.00 -1.74 4.61 0.00 -1.26 -4.62 120.51 117.50 3icl n ALA 88 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3icl n ALA 88 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3icl n ALA 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3icl s LYS 89 N -1.13 4.14 -0.71 0.00 -2.85 -1.26 -2.13 119.74 115.79 3icl s LYS 89 Ca 0.00 2.58 0.00 0.00 -1.00 0.00 0.00 55.97 57.55 3icl s LYS 89 Cb 0.00 -3.40 0.00 0.00 -2.06 0.00 0.00 37.83 32.37 3icl s LYS 89 CO 0.00 -0.80 0.00 -0.25 0.10 0.00 0.00 175.35 174.40 3icl n ASP 90 N 5.02 -4.40 -0.55 0.03 10.43 -1.26 -4.85 116.55 120.97 3icl n ASP 90 Ca 0.17 0.17 0.07 0.00 2.57 0.00 0.00 54.79 57.76 3icl n ASP 90 Cb 0.37 -2.49 0.06 0.00 1.84 0.00 0.00 41.12 40.90 3icl n ASP 90 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3icl n THR 91 N -2.61 0.03 -3.20 -3.53 -2.24 -0.91 -4.99 114.28 96.84 3icl n THR 91 Ca -0.07 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 3icl n THR 91 Cb 0.32 1.26 0.07 0.00 -2.10 0.00 0.00 70.33 69.88 3icl n THR 91 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3icl n LEU 92 N 0.76 -4.41 -2.13 3.22 4.77 -1.26 -1.45 117.00 116.51 3icl n LEU 92 Ca 0.08 -0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 55.27 3icl n LEU 92 Cb 0.34 -2.89 -0.03 0.00 -2.33 0.00 0.00 43.42 38.52 3icl n LEU 92 CO 0.08 0.24 -0.24 0.59 -1.33 0.00 0.00 177.39 176.73 3icl n ASN 93 N -2.97 -5.67 0.00 -1.43 5.03 -1.26 -2.05 115.26 106.92 3icl n ASN 93 Ca -0.18 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.36 3icl n ASN 93 Cb 0.63 -4.74 0.00 0.00 -1.02 0.00 0.00 39.78 34.65 3icl n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3icl n GLY 94 N -0.91 1.61 0.31 7.41 0.00 -0.96 -4.95 105.19 107.70 3icl n GLY 94 Ca -0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.88 3icl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icl h ALA 95 N 0.00 1.35 -0.18 4.61 0.00 -0.84 -0.37 119.26 123.83 3icl h ALA 95 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3icl h ALA 95 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3icl h ALA 95 CO 0.00 -0.16 -0.30 -0.07 0.00 0.00 0.00 179.25 178.72 3icl h LEU 96 N 0.57 0.36 -0.19 0.00 3.38 -1.50 -2.09 115.31 115.85 3icl h LEU 96 Ca 0.50 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 3icl h LEU 96 Cb 0.79 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3icl h LEU 96 CO -0.41 0.65 -0.39 0.58 0.09 0.00 0.00 178.44 178.96 3icl h VAL 97 N 0.32 1.33 -0.99 1.22 2.07 -1.37 -2.47 116.25 116.37 3icl h VAL 97 Ca 0.04 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 66.01 3icl h VAL 97 Cb 0.69 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 3icl h VAL 97 CO 0.05 0.50 0.63 0.00 0.02 0.00 0.00 177.57 178.78 3icl h ALA 98 N 0.58 1.45 -0.33 1.67 0.00 -0.93 -0.22 119.26 121.48 3icl h ALA 98 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3icl h ALA 98 Cb 0.99 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3icl h ALA 98 CO 0.09 0.38 -0.23 1.96 0.00 0.00 0.00 179.25 181.45 3icl h GLN 99 N 1.11 0.64 -0.30 0.00 4.20 -1.30 -0.36 115.11 119.11 3icl h GLN 99 Ca 0.44 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 3icl h GLN 99 Cb 0.24 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3icl h GLN 99 CO -0.18 0.82 -0.23 0.87 -0.67 0.00 0.00 178.83 179.43 3icl h LYS 100 N 0.56 0.69 -0.12 1.46 1.57 -0.80 -0.33 116.57 119.60 3icl h LYS 100 Ca 0.08 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3icl h LYS 100 Cb 0.69 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 3icl h LYS 100 CO 0.05 0.94 -0.05 0.82 -0.57 0.00 0.00 179.45 180.65 3icl h ILE 101 N 0.44 0.83 -0.98 1.86 2.04 -0.89 -1.16 117.51 119.65 3icl h ILE 101 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 3icl h ILE 101 Cb 0.79 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 3icl h ILE 101 CO 0.06 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.77 3icl h LEU 102 N -0.03 0.98 -0.60 1.44 3.38 -0.88 0.33 115.31 119.92 3icl h LEU 102 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3icl h LEU 102 Cb 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3icl h LEU 102 CO -0.14 0.60 0.36 0.44 0.09 0.00 0.00 178.44 179.79 3icl h ASP 103 N 1.10 0.72 -0.51 -0.43 3.32 -0.60 -1.91 116.42 118.11 3icl h ASP 103 Ca 0.44 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 3icl h ASP 103 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3icl h ASP 103 CO -0.20 0.56 0.01 1.23 -1.72 0.00 0.00 179.24 179.13 3icl h GLY 104 N 0.81 1.01 0.65 2.75 0.00 -0.01 -3.01 103.07 105.27 3icl h GLY 104 Ca 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3icl h GLY 104 CO -0.04 0.65 -0.02 1.04 0.00 0.00 0.00 176.54 178.16 3icl n LEU 105 N -4.20 0.47 0.13 3.11 4.77 -0.01 -3.50 117.00 117.77 3icl n LEU 105 Ca 0.03 -0.10 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 3icl n LEU 105 Cb 0.32 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3icl n LEU 105 CO 0.43 0.08 0.27 0.00 -1.33 0.00 0.00 177.39 176.84 3icl h ALA 106 N 3.97 0.70 -2.26 -1.18 0.00 -1.21 -3.41 119.26 115.88 3icl h ALA 106 Ca 0.00 -0.25 -0.46 0.00 0.00 0.00 0.00 54.91 54.21 3icl h ALA 106 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3icl h ALA 106 CO 0.00 0.29 0.36 -0.65 0.00 0.00 0.00 179.25 179.25 3icl s GLN 107 N -3.16 4.26 0.57 0.00 -1.52 -1.23 -4.90 119.66 113.67 3icl s GLN 107 Ca 0.02 1.26 -0.21 0.00 -1.95 0.00 0.00 55.36 54.48 3icl s GLN 107 Cb 0.08 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.45 3icl s GLN 107 CO 0.75 -0.02 1.31 -2.14 -0.25 0.00 0.00 175.29 174.94 3icl s PRO 108 N -2.80 3.05 -0.21 2.91 0.02 -1.26 -4.84 135.00 131.87 3icl s PRO 108 Ca 0.59 2.10 -0.19 0.00 0.02 0.00 0.00 61.00 63.53 3icl s PRO 108 Cb -0.14 -2.14 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 3icl s PRO 108 CO 0.19 -1.22 0.53 -0.06 -0.33 0.00 0.00 177.00 176.11 3icl s PHE 109 N -1.38 3.35 -0.45 6.54 0.08 0.12 -4.92 117.98 121.32 3icl s PHE 109 Ca 0.74 0.76 -0.10 0.00 0.12 0.00 0.00 56.93 58.45 3icl s PHE 109 Cb -0.37 -2.70 0.10 0.00 -0.57 0.00 0.00 43.02 39.47 3icl s PHE 109 CO 0.43 -0.15 0.31 0.08 -0.10 0.00 0.00 175.22 175.79 3icl s VAL 110 N 1.83 4.32 -1.64 -0.44 1.01 -1.26 -1.49 120.40 122.73 3icl s VAL 110 Ca 0.24 -1.54 0.18 0.00 0.00 0.00 0.00 61.98 60.86 3icl s VAL 110 Cb -0.15 -3.73 0.45 0.00 0.00 0.00 0.00 36.38 32.95 3icl s VAL 110 CO 0.09 -0.63 1.37 0.49 0.00 0.00 0.00 175.10 176.42 3icl n PHE 111 N 4.94 0.65 0.00 5.22 3.72 -1.00 -5.06 117.46 125.94 3icl n PHE 111 Ca -0.09 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 3icl n PHE 111 Cb 0.42 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3icl n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3icl n GLY 112 N 1.15 0.23 0.26 1.37 0.00 -1.26 -4.67 105.19 102.27 3icl n GLY 112 Ca 0.18 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.91 3icl n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icl h ALA 113 N 0.00 1.17 -2.42 4.61 0.00 -2.00 -3.39 119.26 117.23 3icl h ALA 113 Ca 0.00 -0.12 -0.64 0.00 0.00 0.00 0.00 54.91 54.15 3icl h ALA 113 Cb 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.62 3icl h ALA 113 CO 0.00 0.17 0.01 -0.65 0.00 0.00 0.00 179.25 178.78 3icl s GLN 114 N -4.00 3.67 -0.07 0.00 -0.21 -1.26 -5.05 119.66 112.74 3icl s GLN 114 Ca -0.02 -0.06 0.05 0.00 0.02 0.00 0.00 55.36 55.35 3icl s GLN 114 Cb 0.12 -3.80 -0.01 0.00 1.00 0.00 0.00 33.01 30.32 3icl s GLN 114 CO 0.59 -0.65 -0.21 -0.65 -2.12 0.00 0.00 175.29 172.24 3icl s GLN 115 N 2.48 2.73 -0.03 2.91 -0.21 -1.26 -2.36 119.66 123.91 3icl s GLN 115 Ca 0.21 -0.84 0.07 0.00 0.02 0.00 0.00 55.36 54.81 3icl s GLN 115 Cb -0.15 -2.28 -0.01 0.00 1.00 0.00 0.00 33.01 31.56 3icl s GLN 115 CO 0.13 0.37 -0.23 0.42 -2.12 0.00 0.00 175.29 173.86 3icl s ILE 116 N -0.12 1.85 -0.14 1.08 -1.09 -0.55 -4.92 121.20 117.31 3icl s ILE 116 Ca -0.04 -0.98 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 3icl s ILE 116 Cb -0.14 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 3icl s ILE 116 CO 0.04 0.52 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.40 3icl s VAL 117 N -0.37 2.43 0.22 2.92 1.01 -1.26 0.15 120.40 125.51 3icl s VAL 117 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3icl s VAL 117 Cb -0.11 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3icl s VAL 117 CO 0.01 0.53 -0.00 0.27 0.00 0.00 0.00 175.10 175.91 3icl s ILE 118 N 0.70 3.58 -0.09 2.22 -4.36 -1.26 -5.06 121.20 116.94 3icl s ILE 118 Ca -0.08 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3icl s ILE 118 Cb -0.16 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 3icl s ILE 118 CO 0.01 -0.25 -0.00 -0.44 0.24 0.00 0.00 174.94 174.51 3icl s SER 119 N -3.32 5.21 0.19 4.36 0.01 -1.26 -4.81 113.70 114.08 3icl s SER 119 Ca 0.29 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.72 3icl s SER 119 Cb -0.08 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 3icl s SER 119 CO 0.19 0.37 -0.04 0.68 0.41 0.00 0.00 173.24 174.85 3icl s VAL 120 N -0.85 1.05 -0.01 3.43 -7.23 -1.26 -1.13 120.40 114.40 3icl s VAL 120 Ca 0.13 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3icl s VAL 120 Cb -0.11 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 3icl s VAL 120 CO 0.02 -0.50 -0.10 -0.44 -0.31 0.00 0.00 175.10 173.77 3icl s SER 121 N -3.24 1.18 -0.04 4.85 0.01 -1.05 0.43 113.70 115.84 3icl s SER 121 Ca 0.23 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.34 3icl s SER 121 Cb 0.04 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3icl s SER 121 CO 0.05 0.11 -0.13 -0.63 0.41 0.00 0.00 173.24 173.06 3icl s ILE 122 N -0.17 1.09 -0.00 1.44 1.01 -0.68 -1.24 121.20 122.64 3icl s ILE 122 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3icl s ILE 122 Cb -0.05 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3icl s ILE 122 CO -0.00 0.33 -0.05 -0.83 0.00 0.00 0.00 174.94 174.39 3icl s GLY 123 N 0.15 1.78 -0.09 6.18 0.00 0.58 -0.99 107.32 114.94 3icl s GLY 123 Ca -0.04 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.71 3icl s GLY 123 CO 0.01 -0.84 -0.14 -0.42 0.00 0.00 0.00 173.10 171.71 3icl s ILE 124 N -1.00 1.34 -0.09 0.90 1.01 0.48 -0.61 121.20 123.23 3icl s ILE 124 Ca 0.17 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3icl s ILE 124 Cb -0.11 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3icl s ILE 124 CO 0.08 0.40 -0.22 0.00 0.00 0.00 0.00 174.94 175.20 3icl s ALA 125 N 0.82 2.03 -0.16 9.38 0.00 -1.24 -0.44 121.76 132.15 3icl s ALA 125 Ca -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 3icl s ALA 125 Cb -0.15 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3icl s ALA 125 CO 0.02 0.28 -0.08 0.08 0.00 0.00 0.00 175.76 176.05 3icl s VAL 126 N 0.32 3.33 0.45 0.00 1.01 -1.26 -1.64 120.40 122.62 3icl s VAL 126 Ca -0.16 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3icl s VAL 126 Cb -0.17 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 3icl s VAL 126 CO 0.08 0.49 1.10 -0.55 0.00 0.00 0.00 175.10 176.21 3icl s SER 127 N 0.69 6.36 0.02 3.32 0.15 -0.79 0.32 113.70 123.77 3icl s SER 127 Ca -0.04 2.13 0.25 0.00 0.70 0.00 0.00 55.95 58.98 3icl s SER 127 Cb -0.15 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.08 3icl s SER 127 CO 0.02 -0.77 1.41 -0.81 1.20 0.00 0.00 173.24 174.29 3icl n PRO 128 N -0.51 0.05 -0.09 5.44 -0.04 -1.26 -4.60 135.00 133.99 3icl n PRO 128 Ca 0.07 0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.70 3icl n PRO 128 Cb 0.50 -1.53 0.55 0.00 -0.04 0.00 0.00 33.50 32.98 3icl n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3icl h ALA 129 N 2.92 2.17 -0.69 0.55 0.00 -1.99 -0.35 119.26 121.87 3icl h ALA 129 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3icl h ALA 129 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3icl h ALA 129 CO 0.00 -0.33 0.00 -0.25 0.00 0.00 0.00 179.25 178.67 3icl n ASP 130 N -4.45 4.34 0.00 0.00 10.43 0.15 -4.94 116.55 122.08 3icl n ASP 130 Ca 0.11 -2.22 0.00 0.00 2.57 0.00 0.00 54.79 55.25 3icl n ASP 130 Cb 0.48 -0.54 0.00 0.00 1.84 0.00 0.00 41.12 42.91 3icl n ASP 130 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3icl n GLY 131 N 1.41 3.58 0.16 0.44 0.00 -0.14 -4.13 105.19 106.50 3icl n GLY 131 Ca 0.25 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 3icl n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3icl n GLU 132 N -1.28 0.23 0.00 1.61 1.02 -1.26 -4.32 120.64 116.64 3icl n GLU 132 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3icl n GLU 132 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3icl n GLU 132 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3icl n THR 133 N -2.90 0.00 0.00 2.62 -2.24 -1.26 -4.92 114.28 105.58 3icl n THR 133 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3icl n THR 133 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3icl n THR 133 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3icl n GLU 135 N 0.00 0.00 -0.07 -0.78 2.13 -1.26 -2.32 120.64 118.34 3icl n GLU 135 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 3icl n GLU 135 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3icl n GLU 135 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3icl h GLN 136 N 0.00 0.37 -0.21 5.31 5.75 -1.93 -0.32 115.11 124.08 3icl h GLN 136 Ca 0.00 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3icl h GLN 136 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3icl h GLN 136 CO 0.00 0.51 0.13 -0.07 -2.65 0.00 0.00 178.83 176.74 3icl h LEU 137 N 0.17 0.21 -0.54 -2.39 3.38 -1.62 -0.69 115.31 113.83 3icl h LEU 137 Ca 0.07 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3icl h LEU 137 Cb 0.32 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3icl h LEU 137 CO 0.00 0.16 0.22 0.25 0.09 0.00 0.00 178.44 179.16 3icl h LEU 138 N 0.26 0.24 -0.24 1.67 6.46 -1.77 0.99 115.31 122.93 3icl h LEU 138 Ca 0.08 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3icl h LEU 138 Cb -0.02 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3icl h LEU 138 CO -0.03 0.16 0.15 0.03 -0.62 0.00 0.00 178.44 178.14 3icl h ARG 139 N 0.41 0.31 -0.40 1.25 2.47 -0.68 -0.03 114.38 117.71 3icl h ARG 139 Ca 0.26 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.86 3icl h ARG 139 Cb 0.27 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3icl h ARG 139 CO -0.25 0.22 -0.16 -0.91 0.56 0.00 0.00 179.97 179.44 3icl h ASN 140 N 0.31 0.75 -0.14 7.04 -0.26 -0.85 -1.60 115.58 120.82 3icl h ASN 140 Ca 0.09 -0.24 -0.09 0.00 -0.56 0.00 0.00 56.30 55.49 3icl h ASN 140 Cb -0.02 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 3icl h ASN 140 CO -0.02 0.91 -0.21 0.00 -1.06 0.00 0.00 177.43 177.06 3icl h ALA 141 N 1.15 1.08 -0.69 -0.83 0.00 -0.59 -1.89 119.26 117.49 3icl h ALA 141 Ca 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3icl h ALA 141 Cb 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3icl h ALA 141 CO 0.04 0.56 0.26 0.22 0.00 0.00 0.00 179.25 180.34 3icl h ASP 142 N 0.50 0.97 -0.75 0.00 -0.00 -0.50 -2.52 116.42 114.13 3icl h ASP 142 Ca 0.08 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.03 56.90 3icl h ASP 142 Cb 0.64 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.68 3icl h ASP 142 CO 0.05 0.89 0.37 0.74 -0.00 0.00 0.00 179.24 181.28 3icl h THR 143 N 0.99 1.24 0.00 2.25 2.02 -0.91 -2.83 112.91 115.67 3icl h THR 143 Ca 0.23 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3icl h THR 143 Cb 0.23 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3icl h THR 143 CO -0.02 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.15 3icl n ALA 144 N -2.38 2.08 0.00 6.16 0.00 -0.75 -2.84 120.51 122.78 3icl n ALA 144 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3icl n ALA 144 Cb 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3icl n ALA 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3icl n TYR 146 N 1.23 0.00 -0.09 0.00 4.01 -1.07 -1.05 117.16 120.20 3icl n TYR 146 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3icl n TYR 146 Cb 0.18 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 3icl n TYR 146 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3icl h HIS 147 N 0.00 0.96 -0.47 -0.72 3.86 -1.82 -0.69 115.15 116.28 3icl h HIS 147 Ca 0.00 -0.27 -0.03 0.00 -1.16 0.00 0.00 60.37 58.90 3icl h HIS 147 Cb 0.00 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3icl h HIS 147 CO 0.00 1.05 0.16 0.00 0.86 0.00 0.00 177.93 180.00 3icl h ALA 148 N 0.92 0.61 -0.30 2.45 0.00 -1.40 -2.24 119.26 119.30 3icl h ALA 148 Ca 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3icl h ALA 148 Cb 0.92 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3icl h ALA 148 CO 0.08 0.24 -0.05 -0.22 0.00 0.00 0.00 179.25 179.31 3icl h LYS 149 N 0.61 0.47 -0.36 0.00 3.64 -1.66 -1.62 116.57 117.65 3icl h LYS 149 Ca 0.15 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3icl h LYS 149 Cb 0.24 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3icl h LYS 149 CO -0.01 0.54 0.02 0.77 -2.27 0.00 0.00 179.45 178.51 3icl h SER 150 N 0.45 0.52 0.29 4.20 0.02 -0.80 -3.14 113.55 115.09 3icl h SER 150 Ca 0.09 -0.09 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 3icl h SER 150 Cb 0.38 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 62.81 3icl h SER 150 CO 0.02 0.58 -1.40 -0.09 -1.14 0.00 0.00 176.83 174.80 3icl h ARG 151 N 0.54 0.52 0.00 3.45 2.43 -0.80 -3.50 114.38 117.02 3icl h ARG 151 Ca 0.12 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 3icl h ARG 151 Cb 0.31 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3icl h ARG 151 CO 0.01 1.40 0.00 0.41 -1.51 0.00 0.00 179.97 180.28 3icl n GLY 152 N 1.61 -0.75 3.60 2.80 0.00 -0.67 -5.12 105.19 106.67 3icl n GLY 152 Ca -0.15 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 3icl n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icl s LYS 153 N -0.52 2.17 -1.27 1.61 -2.85 -1.26 -4.09 119.74 113.53 3icl s LYS 153 Ca 0.00 -1.29 -0.03 0.00 -1.00 0.00 0.00 55.97 53.65 3icl s LYS 153 Cb 0.00 -2.18 0.01 0.00 -2.06 0.00 0.00 37.83 33.59 3icl s LYS 153 CO 0.00 0.42 1.01 0.09 0.10 0.00 0.00 175.35 176.96 3icl n ASN 154 N -0.24 -3.16 -4.55 0.03 3.02 0.17 -4.91 115.26 105.62 3icl n ASN 154 Ca -0.09 -0.64 -0.26 0.00 -0.03 0.00 0.00 54.58 53.57 3icl n ASN 154 Cb 0.56 -4.90 -0.11 0.00 -0.61 0.00 0.00 39.78 34.73 3icl n ASN 154 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3icl s ASN 155 N -4.05 3.46 0.03 6.41 0.02 -1.13 -4.97 114.94 114.71 3icl s ASN 155 Ca 0.18 -1.30 0.01 0.00 -1.02 0.00 0.00 52.86 50.73 3icl s ASN 155 Cb -0.08 -0.31 -0.02 0.00 0.02 0.00 0.00 41.25 40.86 3icl s ASN 155 CO 0.75 -0.39 -0.05 -0.72 0.02 0.00 0.00 177.10 176.70 3icl s TYR 156 N -2.81 0.47 -0.03 2.20 -0.85 -1.26 -1.69 117.35 113.36 3icl s TYR 156 Ca 0.34 -0.54 -0.02 0.00 -0.52 0.00 0.00 57.07 56.33 3icl s TYR 156 Cb 0.07 -0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.13 3icl s TYR 156 CO 0.16 -0.15 0.07 -1.14 -1.52 0.00 0.00 175.55 172.98 3icl s GLN 157 N -1.63 0.04 0.10 -3.49 2.00 -0.16 -4.95 119.66 111.57 3icl s GLN 157 Ca -0.12 0.19 -0.22 0.00 -2.00 0.00 0.00 55.36 53.21 3icl s GLN 157 Cb -0.09 -0.11 -0.07 0.00 0.80 0.00 0.00 33.01 33.54 3icl s GLN 157 CO -0.01 -0.10 0.66 -0.06 -0.50 0.00 0.00 175.29 175.29 3icl s PHE 158 N 0.67 3.83 0.52 1.67 0.40 -1.26 -0.38 117.98 123.41 3icl s PHE 158 Ca -0.05 1.41 -0.22 0.00 -0.60 0.00 0.00 56.93 57.47 3icl s PHE 158 Cb -0.07 -2.64 -0.06 0.00 0.51 0.00 0.00 43.02 40.76 3icl s PHE 158 CO -0.03 0.51 1.33 0.12 0.70 0.00 0.00 175.22 177.85 3icl s PHE 159 N -0.93 2.43 -0.23 0.36 2.19 0.42 -4.88 117.98 117.33 3icl s PHE 159 Ca 0.32 1.39 -0.01 0.00 0.33 0.00 0.00 56.93 58.97 3icl s PHE 159 Cb -0.21 -3.73 0.07 0.00 -1.31 0.00 0.00 43.02 37.84 3icl s PHE 159 CO 0.22 -2.63 0.01 0.45 1.83 0.00 0.00 175.22 175.10 3icl s SER 160 N -0.97 3.50 0.00 6.13 0.15 -1.26 -4.96 113.70 116.29 3icl s SER 160 Ca 0.68 -1.12 0.06 0.00 0.70 0.00 0.00 55.95 56.27 3icl s SER 160 Cb -0.39 -0.89 0.34 0.00 -1.71 0.00 0.00 66.02 63.37 3icl s SER 160 CO 0.46 -0.30 0.81 -2.65 1.20 0.00 0.00 173.24 172.76