#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pat n ALA 2 N 0.00 2.80 0.07 0.00 0.00 -1.21 -4.31 120.51 117.85 3pat n ALA 2 Ca 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 53.44 51.73 3pat n ALA 2 Cb 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 3pat n ALA 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3pat h LYS 3 N 2.88 0.00 0.00 0.00 3.64 -1.88 -3.18 116.57 118.03 3pat h LYS 3 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3pat h LYS 3 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3pat h LYS 3 CO 0.16 0.84 -0.14 -0.25 -2.27 0.00 0.00 179.45 177.79 3pat n ASP 4 N -3.29 0.68 0.01 4.20 9.92 -1.26 -3.20 116.55 123.61 3pat n ASP 4 Ca -0.01 0.45 0.11 0.00 -0.53 0.00 0.00 54.79 54.81 3pat n ASP 4 Cb 0.90 -0.53 0.11 0.00 -0.64 0.00 0.00 41.12 40.96 3pat n ASP 4 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3pat n LEU 5 N -2.11 0.65 -4.45 0.64 7.94 -1.21 -4.90 117.00 113.56 3pat n LEU 5 Ca 0.05 -0.10 -0.25 0.00 -1.11 0.00 0.00 56.01 54.61 3pat n LEU 5 Cb 0.42 -0.15 -0.08 0.00 0.53 0.00 0.00 43.42 44.14 3pat n LEU 5 CO 0.31 0.12 -0.15 -0.76 -1.11 0.00 0.00 177.39 175.80 3pat s LEU 6 N -3.32 1.92 0.11 -1.96 1.43 -1.19 -5.02 118.68 110.65 3pat s LEU 6 Ca 0.08 -1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 51.30 3pat s LEU 6 Cb 0.16 0.15 -0.13 0.00 0.03 0.00 0.00 46.19 46.40 3pat s LEU 6 CO 0.76 -1.03 1.34 0.11 0.23 0.00 0.00 176.35 177.77 3pat h LYS 7 N 1.83 0.83 0.00 1.70 1.57 -1.89 -3.45 116.57 117.16 3pat h LYS 7 Ca -0.31 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 57.86 3pat h LYS 7 Cb 1.26 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3pat h LYS 7 CO 0.48 1.23 0.00 0.00 -0.57 0.00 0.00 179.45 180.59 3pat n ALA 8 N -2.59 0.00 0.26 3.86 0.00 -1.26 -4.39 120.51 116.39 3pat n ALA 8 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3pat n ALA 8 Cb 0.69 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.87 3pat n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3pat h ASP 9 N 0.00 0.00 0.38 0.00 3.32 -1.98 -1.05 116.42 117.08 3pat h ASP 9 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3pat h ASP 9 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3pat h ASP 9 CO 0.00 0.11 -0.47 0.44 -1.72 0.00 0.00 179.24 177.61 3pat h ASP 10 N 0.00 0.12 1.31 6.45 5.19 -1.84 -2.25 116.42 125.40 3pat h ASP 10 Ca -0.00 -0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.22 3pat h ASP 10 Cb 0.31 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 3pat h ASP 10 CO 0.01 0.57 -0.70 0.40 -3.12 0.00 0.00 179.24 176.40 3pat h ILE 11 N 0.09 1.04 0.00 0.35 5.03 -1.50 -2.89 117.51 119.64 3pat h ILE 11 Ca 0.00 -2.50 0.00 0.00 -0.12 0.00 0.00 64.86 62.24 3pat h ILE 11 Cb 0.86 2.50 0.00 0.00 -3.03 0.00 0.00 36.82 37.15 3pat h ILE 11 CO 0.07 0.60 0.00 0.11 -0.68 0.00 0.00 178.15 178.24 3pat h LYS 12 N 0.00 0.00 0.10 2.37 1.57 -1.05 -2.55 116.57 117.01 3pat h LYS 12 Ca -0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 3pat h LYS 12 Cb 1.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 3pat h LYS 12 CO 0.08 0.00 -1.65 0.87 -0.57 0.00 0.00 179.45 178.18 3pat h LYS 13 N 0.00 0.22 -0.25 3.15 1.79 -1.39 -2.89 116.57 117.20 3pat h LYS 13 Ca 0.00 -0.37 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 3pat h LYS 13 Cb 0.89 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 3pat h LYS 13 CO 0.00 1.18 -0.03 0.00 -1.08 0.00 0.00 179.45 179.52 3pat h ALA 14 N -0.08 0.34 -0.46 3.86 0.00 -1.57 -1.54 119.26 119.81 3pat h ALA 14 Ca -0.37 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 3pat h ALA 14 Cb 1.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3pat h ALA 14 CO 0.03 0.10 -0.15 -0.07 0.00 0.00 0.00 179.25 179.16 3pat h LEU 15 N 0.22 0.87 -1.76 0.00 3.38 -1.63 -1.73 115.31 114.67 3pat h LEU 15 Ca 0.07 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3pat h LEU 15 Cb 0.47 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3pat h LEU 15 CO 0.02 1.02 -0.00 0.44 0.09 0.00 0.00 178.44 180.01 3pat h ASP 16 N 0.77 0.00 1.03 -0.43 5.19 -1.38 0.50 116.42 122.10 3pat h ASP 16 Ca 0.12 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3pat h ASP 16 Cb 0.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 3pat h ASP 16 CO 0.05 0.00 -1.00 0.00 -3.12 0.00 0.00 179.24 175.17 3pat h ALA 17 N 2.00 0.60 0.00 3.45 0.00 -0.52 -3.38 119.26 121.41 3pat h ALA 17 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3pat h ALA 17 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3pat h ALA 17 CO 0.00 0.30 0.00 1.33 0.00 0.00 0.00 179.25 180.88 3pat n VAL 18 N -2.81 0.40 0.10 0.00 0.24 -0.72 -4.76 118.33 110.78 3pat n VAL 18 Ca -0.02 -0.66 0.20 0.00 -2.04 0.00 0.00 64.34 61.82 3pat n VAL 18 Cb 0.64 0.85 0.72 0.00 -1.47 0.00 0.00 33.84 34.58 3pat n VAL 18 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3pat h LYS 19 N 0.00 0.00 -6.65 7.34 3.64 -0.21 -3.38 116.57 117.30 3pat h LYS 19 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 3pat h LYS 19 Cb 0.27 0.00 0.20 0.00 -0.41 0.00 0.00 32.23 32.28 3pat h LYS 19 CO 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 179.45 176.79 3pat n ALA 20 N -2.27 -3.31 -2.90 5.00 0.00 -1.26 -4.84 120.51 110.93 3pat n ALA 20 Ca 0.07 -1.42 -0.43 0.00 0.00 0.00 0.00 53.44 51.67 3pat n ALA 20 Cb 0.67 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.69 3pat n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3pat n GLU 21 N -3.67 4.40 0.00 0.00 1.02 -1.26 -3.99 120.64 117.14 3pat n GLU 21 Ca 0.06 -4.42 0.00 0.00 -0.02 0.00 0.00 57.16 52.78 3pat n GLU 21 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3pat n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3pat n GLY 22 N 1.47 0.19 1.49 0.62 0.00 -1.26 -5.00 105.19 102.70 3pat n GLY 22 Ca 0.28 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.40 3pat n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3pat n SER 23 N 0.00 4.41 -4.81 1.61 3.41 -1.26 -4.94 113.62 112.05 3pat n SER 23 Ca 0.00 -2.33 -0.37 0.00 -0.26 0.00 0.00 58.87 55.90 3pat n SER 23 Cb 0.00 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 3pat n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3pat s PHE 24 N -1.67 3.74 0.00 7.33 2.19 -1.26 -4.46 117.98 123.84 3pat s PHE 24 Ca 0.49 1.34 0.00 0.00 0.33 0.00 0.00 56.93 59.08 3pat s PHE 24 Cb 0.30 -2.56 0.00 0.00 -1.31 0.00 0.00 43.02 39.45 3pat s PHE 24 CO 0.25 0.46 0.00 0.09 1.83 0.00 0.00 175.22 177.86 3pat n ASN 25 N 1.20 0.00 0.00 6.13 3.02 -1.26 -4.95 115.26 119.39 3pat n ASN 25 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3pat n ASN 25 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3pat n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pat n HIS 26 N 0.00 0.00 -0.07 3.10 1.44 -1.26 -4.45 115.22 113.98 3pat n HIS 26 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 3pat n HIS 26 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 3pat n HIS 26 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3pat h LYS 27 N 0.00 0.01 -0.34 -1.40 1.57 -1.94 -3.05 116.57 111.42 3pat h LYS 27 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3pat h LYS 27 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3pat h LYS 27 CO 0.00 1.01 -0.37 0.87 -0.57 0.00 0.00 179.45 180.38 3pat h LYS 28 N -0.97 0.80 0.46 3.15 6.56 -1.89 -0.35 116.57 124.31 3pat h LYS 28 Ca -0.09 -0.40 -0.02 0.00 -1.06 0.00 0.00 60.65 59.07 3pat h LYS 28 Cb 1.10 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3pat h LYS 28 CO -0.05 1.03 -0.22 0.35 -2.06 0.00 0.00 179.45 178.51 3pat h PHE 29 N 0.66 -0.57 -0.37 -1.35 3.57 -1.80 -2.32 116.94 114.76 3pat h PHE 29 Ca 0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3pat h PHE 29 Cb 0.93 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3pat h PHE 29 CO 0.05 -0.35 0.21 0.74 -2.23 0.00 0.00 178.31 176.72 3pat h PHE 30 N -0.68 0.48 -1.00 0.41 -1.00 -1.62 -1.87 116.94 111.66 3pat h PHE 30 Ca -0.06 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.75 3pat h PHE 30 Cb 0.47 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 39.81 3pat h PHE 30 CO 0.10 0.33 0.65 0.00 -1.61 0.00 0.00 178.31 177.78 3pat h ALA 31 N 1.73 1.31 0.00 2.45 0.00 -0.99 -2.44 119.26 121.32 3pat h ALA 31 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3pat h ALA 31 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.44 3pat h ALA 31 CO -0.02 0.56 -0.24 -0.07 0.00 0.00 0.00 179.25 179.48 3pat h LEU 32 N 1.28 0.21 -0.47 0.00 3.38 -0.78 -3.32 115.31 115.60 3pat h LEU 32 Ca 0.39 -0.79 0.09 0.00 0.09 0.00 0.00 57.88 57.67 3pat h LEU 32 Cb -0.02 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 3pat h LEU 32 CO -0.12 0.97 -0.24 0.58 0.09 0.00 0.00 178.44 179.72 3pat h VAL 33 N -0.53 0.32 0.00 1.22 2.07 -1.21 -3.46 116.25 114.66 3pat h VAL 33 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3pat h VAL 33 Cb 1.01 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3pat h VAL 33 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 3pat n GLY 34 N -1.41 0.99 0.21 2.17 0.00 -0.94 -4.69 105.19 101.52 3pat n GLY 34 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3pat n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3pat h LEU 35 N 0.00 0.00 -1.82 0.99 5.85 -1.87 -2.70 115.31 115.75 3pat h LEU 35 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3pat h LEU 35 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3pat h LEU 35 CO 0.00 0.00 -0.11 0.50 -0.34 0.00 0.00 178.44 178.49 3pat h LYS 36 N 0.00 0.00 -0.36 1.25 3.11 -1.70 -3.20 116.57 115.67 3pat h LYS 36 Ca 0.00 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.57 3pat h LYS 36 Cb 0.05 0.00 -0.36 0.00 -1.00 0.00 0.00 32.23 30.91 3pat h LYS 36 CO 0.00 0.11 -0.98 0.00 -2.81 0.00 0.00 179.45 175.77 3pat n ALA 37 N -2.49 3.15 -1.00 5.00 0.00 -1.02 -4.43 120.51 119.71 3pat n ALA 37 Ca -0.03 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.48 3pat n ALA 37 Cb 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3pat n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3pat n MET 38 N -0.43 0.00 -3.54 0.00 1.56 -1.21 -4.98 117.12 108.53 3pat n MET 38 Ca 0.16 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.58 3pat n MET 38 Cb 0.90 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 36.24 3pat n MET 38 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3pat s SER 39 N -1.03 -1.14 0.40 6.12 1.04 -1.26 -4.83 113.70 112.99 3pat s SER 39 Ca 0.00 1.38 0.34 0.00 0.48 0.00 0.00 55.95 58.15 3pat s SER 39 Cb 0.00 2.22 1.28 0.00 0.10 0.00 0.00 66.02 69.62 3pat s SER 39 CO 0.00 -0.23 1.22 0.00 0.98 0.00 0.00 173.24 175.21 3pat n ALA 40 N 5.44 1.32 0.08 5.32 0.00 -1.26 0.46 120.51 131.87 3pat n ALA 40 Ca -0.09 0.58 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 3pat n ALA 40 Cb 0.49 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 3pat n ALA 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3pat h ASN 41 N 0.00 -0.24 0.17 0.00 -1.24 -2.00 -1.53 115.58 110.74 3pat h ASN 41 Ca 0.72 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.45 3pat h ASN 41 Cb 2.67 0.06 0.00 0.00 0.73 0.00 0.00 38.32 41.78 3pat h ASN 41 CO -0.15 0.28 0.00 0.47 -1.29 0.00 0.00 177.43 176.74 3pat n ASP 42 N -4.97 0.00 -0.04 1.15 8.00 0.17 -2.18 116.55 118.68 3pat n ASP 42 Ca -0.08 -0.22 -0.22 0.00 0.71 0.00 0.00 54.79 54.98 3pat n ASP 42 Cb 0.25 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 3pat n ASP 42 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3pat n VAL 43 N -1.15 1.67 0.29 2.53 0.31 0.44 -2.23 118.33 120.18 3pat n VAL 43 Ca 0.10 -0.40 0.16 0.00 -0.01 0.00 0.00 64.34 64.20 3pat n VAL 43 Cb 0.10 -1.86 0.88 0.00 -0.91 0.00 0.00 33.84 32.05 3pat n VAL 43 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3pat h LYS 44 N -0.39 0.00 0.03 5.55 1.57 -0.83 0.24 116.57 122.74 3pat h LYS 44 Ca -0.41 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.16 3pat h LYS 44 Cb 1.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.02 3pat h LYS 44 CO -0.05 0.05 -1.01 -0.22 -0.57 0.00 0.00 179.45 177.66 3pat h LYS 45 N 0.00 0.08 -0.35 3.15 3.64 -1.49 -1.46 116.57 120.14 3pat h LYS 45 Ca -0.00 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 3pat h LYS 45 Cb 0.20 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3pat h LYS 45 CO 0.01 1.01 -0.08 0.28 -2.27 0.00 0.00 179.45 178.40 3pat h VAL 46 N 0.03 1.28 0.11 2.00 2.07 -0.12 -2.84 116.25 118.78 3pat h VAL 46 Ca -0.04 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3pat h VAL 46 Cb 1.73 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3pat h VAL 46 CO 0.14 0.37 -0.05 0.15 0.02 0.00 0.00 177.57 178.20 3pat h PHE 47 N 0.46 -0.14 -1.50 1.57 3.04 -1.18 -0.63 116.94 118.56 3pat h PHE 47 Ca 0.09 -0.00 0.44 0.00 3.98 0.00 0.00 57.97 62.47 3pat h PHE 47 Cb 0.58 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.08 3pat h PHE 47 CO 0.05 0.03 1.12 -0.22 -2.02 0.00 0.00 178.31 177.27 3pat h LYS 48 N -0.28 0.00 0.21 1.11 1.63 -1.15 1.55 116.57 119.64 3pat h LYS 48 Ca -0.02 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.47 3pat h LYS 48 Cb 0.23 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.89 3pat h LYS 48 CO 0.03 0.00 -1.44 0.00 -3.45 0.00 0.00 179.45 174.58 3pat h ALA 49 N 1.17 -0.05 -0.66 5.00 0.00 -0.93 -3.20 119.26 120.58 3pat h ALA 49 Ca 0.71 -0.92 0.16 0.00 0.00 0.00 0.00 54.91 54.86 3pat h ALA 49 Cb 2.95 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 20.96 3pat h ALA 49 CO -0.01 0.73 0.46 0.82 0.00 0.00 0.00 179.25 181.25 3pat h ILE 50 N 0.02 0.75 -0.14 0.00 1.08 0.34 -3.18 117.51 116.39 3pat h ILE 50 Ca -0.27 -0.07 -0.61 0.00 -0.39 0.00 0.00 64.86 63.52 3pat h ILE 50 Cb 2.04 0.53 0.01 0.00 -3.07 0.00 0.00 36.82 36.34 3pat h ILE 50 CO 0.22 0.04 2.24 -0.67 -0.69 0.00 0.00 178.15 179.29 3pat n ASP 51 N -4.42 3.02 0.33 1.72 2.03 -0.00 -4.77 116.55 114.46 3pat n ASP 51 Ca 0.13 -2.73 0.19 0.00 0.52 0.00 0.00 54.79 52.90 3pat n ASP 51 Cb 0.59 -1.36 1.02 0.00 -0.72 0.00 0.00 41.12 40.65 3pat n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pat h ALA 52 N 7.83 1.15 -0.01 -1.67 0.00 -1.81 -3.03 119.26 121.72 3pat h ALA 52 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3pat h ALA 52 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3pat h ALA 52 CO 1.79 -0.15 -0.25 -0.40 0.00 0.00 0.00 179.25 180.24 3pat n ASP 53 N -2.96 1.59 -1.34 0.00 5.68 -1.26 -4.96 116.55 113.29 3pat n ASP 53 Ca -0.02 -1.29 -0.03 0.00 -0.50 0.00 0.00 54.79 52.94 3pat n ASP 53 Cb 0.21 0.40 0.01 0.00 -1.14 0.00 0.00 41.12 40.61 3pat n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pat n ALA 54 N -0.03 -0.31 -1.69 2.12 0.00 -1.14 -4.87 120.51 114.59 3pat n ALA 54 Ca 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3pat n ALA 54 Cb 0.31 -0.86 0.17 0.00 0.00 0.00 0.00 19.45 19.07 3pat n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3pat n SER 55 N -1.10 2.23 -2.48 0.00 3.41 -1.26 -4.91 113.62 109.50 3pat n SER 55 Ca -0.04 -3.84 -0.02 0.00 -0.26 0.00 0.00 58.87 54.71 3pat n SER 55 Cb 0.53 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3pat n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3pat n GLY 56 N -1.02 -0.49 3.23 5.00 0.00 -1.26 -4.84 105.19 105.80 3pat n GLY 56 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 3pat n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pat s PHE 57 N -2.07 -0.21 -0.48 1.61 0.08 -1.26 -4.69 117.98 110.96 3pat s PHE 57 Ca 0.00 0.38 -0.18 0.00 0.12 0.00 0.00 56.93 57.25 3pat s PHE 57 Cb 0.00 0.10 0.06 0.00 -0.57 0.00 0.00 43.02 42.60 3pat s PHE 57 CO 0.00 -0.34 0.54 0.42 -0.10 0.00 0.00 175.22 175.74 3pat s ILE 58 N -1.01 5.00 0.51 0.64 -1.09 -0.97 -4.53 121.20 119.75 3pat s ILE 58 Ca -0.11 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.66 3pat s ILE 58 Cb -0.05 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3pat s ILE 58 CO 0.03 -0.69 0.79 -1.61 -1.23 0.00 0.00 174.94 172.23 3pat s GLU 59 N 2.31 3.14 0.30 2.79 2.02 -1.26 -2.30 118.70 125.70 3pat s GLU 59 Ca 0.12 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 55.05 3pat s GLU 59 Cb -0.20 -2.40 0.72 0.00 0.10 0.00 0.00 34.13 32.35 3pat s GLU 59 CO 0.11 -0.41 1.76 0.93 0.02 0.00 0.00 175.26 177.67 3pat h GLU 60 N 0.13 0.68 -0.36 1.61 5.08 -1.97 0.24 114.58 119.99 3pat h GLU 60 Ca -0.46 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3pat h GLU 60 Cb 1.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3pat h GLU 60 CO 0.60 0.45 0.12 1.49 -1.00 0.00 0.00 179.01 180.67 3pat h GLU 61 N 0.70 0.51 -0.21 2.33 4.81 -1.96 -1.58 114.58 119.18 3pat h GLU 61 Ca 0.57 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.57 3pat h GLU 61 Cb 0.90 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3pat h GLU 61 CO -0.40 0.45 -0.50 0.93 -0.73 0.00 0.00 179.01 178.76 3pat h GLU 62 N 0.51 0.59 -0.78 1.92 3.07 -0.89 -2.70 114.58 116.29 3pat h GLU 62 Ca 0.12 -0.35 0.06 0.00 -0.50 0.00 0.00 59.36 58.70 3pat h GLU 62 Cb 0.15 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 3pat h GLU 62 CO -0.01 0.95 0.51 -0.07 -1.40 0.00 0.00 179.01 179.00 3pat h LEU 63 N 0.46 0.75 -0.36 1.33 3.38 -0.40 1.08 115.31 121.55 3pat h LEU 63 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3pat h LEU 63 Cb 1.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3pat h LEU 63 CO 0.10 0.49 0.01 0.50 0.09 0.00 0.00 178.44 179.63 3pat h LYS 64 N 0.85 0.62 -0.62 1.13 3.64 -1.13 -2.74 116.57 118.31 3pat h LYS 64 Ca 0.33 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3pat h LYS 64 Cb 0.22 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3pat h LYS 64 CO -0.11 0.72 0.00 1.19 -2.27 0.00 0.00 179.45 178.98 3pat n PHE 65 N -4.52 1.81 0.29 1.91 3.72 -0.68 -3.42 117.46 116.58 3pat n PHE 65 Ca -0.02 -0.65 0.11 0.00 -0.05 0.00 0.00 57.45 56.84 3pat n PHE 65 Cb 0.26 -0.41 0.59 0.00 -0.94 0.00 0.00 39.48 38.98 3pat n PHE 65 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3pat h VAL 66 N 3.85 0.00 -0.51 -4.37 3.04 0.15 0.72 116.25 119.12 3pat h VAL 66 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3pat h VAL 66 Cb 1.75 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3pat h VAL 66 CO 0.39 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.13 3pat n LEU 67 N -2.63 4.55 0.08 3.16 4.77 -1.26 -4.41 117.00 121.27 3pat n LEU 67 Ca -0.01 -2.61 -0.10 0.00 -0.03 0.00 0.00 56.01 53.25 3pat n LEU 67 Cb 0.46 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 3pat n LEU 67 CO 0.10 0.74 0.11 0.50 -1.33 0.00 0.00 177.39 177.51 3pat h LYS 68 N 3.33 0.14 0.00 3.23 3.64 -1.03 -2.04 116.57 123.83 3pat h LYS 68 Ca 0.00 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 3pat h LYS 68 Cb 1.47 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 3pat h LYS 68 CO 0.25 1.06 -0.38 0.77 -2.27 0.00 0.00 179.45 178.88 3pat h SER 69 N 0.05 0.00 0.80 4.20 0.02 -1.77 -2.29 113.55 114.56 3pat h SER 69 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3pat h SER 69 Cb 1.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.30 3pat h SER 69 CO 0.16 0.38 -1.12 0.49 -1.14 0.00 0.00 176.83 175.59 3pat n PHE 70 N -3.78 0.75 -3.16 3.45 3.72 -1.19 -3.35 117.46 113.89 3pat n PHE 70 Ca -0.01 0.22 0.03 0.00 -0.05 0.00 0.00 57.45 57.64 3pat n PHE 70 Cb 0.45 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 38.15 3pat n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3pat s ALA 71 N -3.36 -2.26 0.28 4.37 0.00 -0.77 -4.88 121.76 115.13 3pat s ALA 71 Ca -0.01 1.28 0.18 0.00 0.00 0.00 0.00 51.96 53.42 3pat s ALA 71 Cb 0.11 -2.37 0.98 0.00 0.00 0.00 0.00 23.12 21.84 3pat s ALA 71 CO 0.80 -1.64 1.10 0.00 0.00 0.00 0.00 175.76 176.02 3pat n ALA 72 N 5.42 0.81 -2.71 0.00 0.00 -0.91 -2.17 120.51 120.96 3pat n ALA 72 Ca 0.03 0.67 -0.07 0.00 0.00 0.00 0.00 53.44 54.07 3pat n ALA 72 Cb 0.53 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 19.29 3pat n ALA 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3pat n ASP 73 N -4.38 1.58 0.00 0.00 2.03 -1.26 -4.76 116.55 109.76 3pat n ASP 73 Ca 0.27 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 53.06 3pat n ASP 73 Cb 0.98 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 3pat n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3pat n GLY 74 N -0.24 0.97 2.51 0.27 0.00 -0.92 -4.81 105.19 102.97 3pat n GLY 74 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3pat n GLY 74 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3pat n ARG 75 N 0.00 4.09 -1.48 1.61 0.00 -1.26 -5.01 116.66 114.61 3pat n ARG 75 Ca 0.00 -3.07 -0.43 0.00 -0.00 0.00 0.00 57.85 54.36 3pat n ARG 75 Cb 0.00 -2.77 -0.12 0.00 0.00 0.00 0.00 32.46 29.57 3pat n ARG 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3pat n ASP 76 N 2.86 0.85 -4.46 6.15 2.03 -1.26 -4.94 116.55 117.78 3pat n ASP 76 Ca 0.63 0.11 -0.35 0.00 0.52 0.00 0.00 54.79 55.69 3pat n ASP 76 Cb 0.27 -1.07 0.08 0.00 -0.72 0.00 0.00 41.12 39.68 3pat n ASP 76 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3pat n LEU 77 N 11.22 0.79 0.00 -2.67 7.99 -1.22 -4.91 117.00 128.20 3pat n LEU 77 Ca 0.58 0.54 0.11 0.00 -0.01 0.00 0.00 56.01 57.22 3pat n LEU 77 Cb 0.14 -1.23 0.01 0.00 -0.11 0.00 0.00 43.42 42.23 3pat n LEU 77 CO 0.88 -3.15 0.09 0.41 -1.51 0.00 0.00 177.39 174.11 3pat n THR 78 N -2.65 0.02 0.00 -5.08 -1.04 -1.26 -4.96 114.28 99.31 3pat n THR 78 Ca 0.09 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3pat n THR 78 Cb 0.51 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.66 3pat n THR 78 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3pat n ASP 79 N -1.58 0.00 -0.15 8.00 2.03 -1.26 -4.61 116.55 118.98 3pat n ASP 79 Ca 0.04 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.33 3pat n ASP 79 Cb 0.35 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.96 3pat n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pat h ALA 80 N 0.00 1.30 0.00 -1.67 0.00 -1.98 -0.22 119.26 116.68 3pat h ALA 80 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3pat h ALA 80 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3pat h ALA 80 CO 0.00 0.52 -0.14 0.93 0.00 0.00 0.00 179.25 180.57 3pat h GLU 81 N 0.85 0.00 0.00 0.00 5.08 -1.93 0.20 114.58 118.78 3pat h GLU 81 Ca 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3pat h GLU 81 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3pat h GLU 81 CO -0.02 0.14 -0.38 1.15 -1.00 0.00 0.00 179.01 178.90 3pat h THR 82 N 0.00 0.57 0.00 1.13 2.02 -1.45 -2.77 112.91 112.41 3pat h THR 82 Ca -0.00 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3pat h THR 82 Cb 0.25 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3pat h THR 82 CO 0.02 0.33 -0.08 1.17 0.37 0.00 0.00 175.52 177.32 3pat n LYS 83 N -3.17 0.10 -0.10 6.66 4.81 -0.00 -2.39 118.16 124.07 3pat n LYS 83 Ca 0.02 0.08 -0.21 0.00 -0.87 0.00 0.00 58.31 57.33 3pat n LYS 83 Cb 0.67 -1.61 -0.12 0.00 0.02 0.00 0.00 35.03 33.99 3pat n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3pat h ALA 84 N 2.81 0.24 -0.40 3.14 0.00 -1.14 -2.97 119.26 120.95 3pat h ALA 84 Ca 0.00 -1.15 0.04 0.00 0.00 0.00 0.00 54.91 53.80 3pat h ALA 84 Cb 0.59 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3pat h ALA 84 CO 0.00 0.65 0.16 0.35 0.00 0.00 0.00 179.25 180.41 3pat h PHE 85 N -0.98 0.29 -0.54 0.00 3.04 -1.55 0.57 116.94 117.76 3pat h PHE 85 Ca -0.32 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.61 3pat h PHE 85 Cb 1.29 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.71 3pat h PHE 85 CO 0.11 0.13 0.18 1.25 -2.02 0.00 0.00 178.31 177.96 3pat h LEU 86 N 0.34 0.78 0.00 0.59 5.85 -1.64 0.26 115.31 121.48 3pat h LEU 86 Ca 0.18 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pat h LEU 86 Cb 0.13 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3pat h LEU 86 CO -0.16 0.77 0.00 1.17 -0.34 0.00 0.00 178.44 179.88 3pat n LYS 87 N -4.47 0.97 -0.00 1.25 4.81 -0.91 -1.51 118.16 118.30 3pat n LYS 87 Ca 0.02 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.48 3pat n LYS 87 Cb 0.19 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.71 3pat n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3pat n ALA 88 N -1.01 2.34 0.21 3.14 0.00 0.14 -4.63 120.51 120.71 3pat n ALA 88 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.61 3pat n ALA 88 Cb 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 3pat n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pat n ALA 89 N -1.39 2.80 -2.96 0.00 0.00 0.84 -4.89 120.51 114.92 3pat n ALA 89 Ca -0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 3pat n ALA 89 Cb 0.09 -0.37 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 3pat n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3pat s ASP 90 N -2.67 5.38 -0.16 0.00 2.15 -0.57 -4.87 116.67 115.93 3pat s ASP 90 Ca -0.01 -0.41 -0.03 0.00 0.43 0.00 0.00 52.55 52.53 3pat s ASP 90 Cb 0.07 -1.97 -0.08 0.00 -0.30 0.00 0.00 42.92 40.64 3pat s ASP 90 CO 0.43 -0.13 -0.17 1.17 -0.17 0.00 0.00 175.17 176.30 3pat n LYS 91 N 4.95 0.36 0.02 4.34 4.81 -1.26 -4.24 118.16 127.14 3pat n LYS 91 Ca -0.15 0.12 0.09 0.00 -0.87 0.00 0.00 58.31 57.50 3pat n LYS 91 Cb 0.50 -1.19 0.38 0.00 0.02 0.00 0.00 35.03 34.74 3pat n LYS 91 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3pat n ASP 92 N -3.33 0.09 -2.73 3.14 5.68 -1.26 -4.86 116.55 113.28 3pat n ASP 92 Ca -0.29 0.52 -0.15 0.00 -0.50 0.00 0.00 54.79 54.36 3pat n ASP 92 Cb 0.76 -0.54 0.06 0.00 -1.14 0.00 0.00 41.12 40.26 3pat n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pat n GLY 93 N 0.29 -0.13 0.00 6.12 0.00 -1.26 -4.91 105.19 105.30 3pat n GLY 93 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3pat n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3pat n ASP 94 N -2.01 0.88 0.00 1.61 5.75 -1.26 -4.95 116.55 116.57 3pat n ASP 94 Ca -0.07 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 3pat n ASP 94 Cb 0.57 1.08 0.00 0.00 -1.03 0.00 0.00 41.12 41.74 3pat n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3pat n GLY 95 N 1.47 0.61 2.88 6.12 0.00 -1.26 -5.00 105.19 110.01 3pat n GLY 95 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3pat n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pat s LYS 96 N -0.12 0.05 -0.50 1.61 1.02 -1.26 -4.32 119.74 116.23 3pat s LYS 96 Ca 0.00 0.31 -0.13 0.00 0.02 0.00 0.00 55.97 56.17 3pat s LYS 96 Cb 0.00 -0.19 0.11 0.00 -0.52 0.00 0.00 37.83 37.23 3pat s LYS 96 CO 0.00 -0.16 0.41 0.42 -0.92 0.00 0.00 175.35 175.10 3pat s ILE 97 N 1.09 4.79 0.00 2.17 1.09 -0.97 -4.90 121.20 124.47 3pat s ILE 97 Ca -0.09 -1.51 0.00 0.00 -1.10 0.00 0.00 60.65 57.95 3pat s ILE 97 Cb -0.11 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.24 3pat s ILE 97 CO -0.05 -0.76 0.00 0.61 -0.10 0.00 0.00 174.94 174.64 3pat n GLY 98 N 5.10 -2.11 0.00 6.18 0.00 -1.26 -2.28 105.19 110.81 3pat n GLY 98 Ca -0.11 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3pat n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3pat n ILE 99 N -1.59 0.00 -0.40 -0.61 2.08 -1.26 -1.25 119.36 116.34 3pat n ILE 99 Ca 0.00 0.79 0.35 0.00 0.56 0.00 0.00 62.75 64.45 3pat n ILE 99 Cb 0.00 -1.62 0.61 0.00 -0.75 0.00 0.00 39.64 37.88 3pat n ILE 99 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3pat n ASP 100 N -1.55 0.23 -0.05 4.38 8.00 -1.26 0.25 116.55 126.55 3pat n ASP 100 Ca 0.00 1.36 -0.14 0.00 0.71 0.00 0.00 54.79 56.72 3pat n ASP 100 Cb 0.00 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.36 3pat n ASP 100 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3pat h GLU 101 N 0.00 0.46 0.30 -1.24 4.57 -1.91 -1.77 114.58 114.99 3pat h GLU 101 Ca 0.81 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.69 3pat h GLU 101 Cb 2.48 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.11 3pat h GLU 101 CO -0.52 0.89 -0.14 0.35 -1.18 0.00 0.00 179.01 178.41 3pat h PHE 102 N 0.08 -0.37 0.00 0.92 3.57 0.48 -1.94 116.94 119.68 3pat h PHE 102 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3pat h PHE 102 Cb 0.86 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3pat h PHE 102 CO 0.10 -0.02 0.00 -1.91 -2.23 0.00 0.00 178.31 174.24 3pat n GLU 103 N -5.09 0.14 0.04 1.11 2.13 0.19 -0.86 120.64 118.31 3pat n GLU 103 Ca -0.09 0.54 -0.22 0.00 0.66 0.00 0.00 57.16 58.04 3pat n GLU 103 Cb 0.27 -1.88 -0.14 0.00 0.27 0.00 0.00 31.44 29.96 3pat n GLU 103 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3pat h THR 104 N 0.00 0.97 0.04 6.31 2.02 -1.20 -2.87 112.91 118.19 3pat h THR 104 Ca 0.00 -2.45 -0.25 0.00 0.77 0.00 0.00 66.41 64.48 3pat h THR 104 Cb 0.14 2.74 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3pat h THR 104 CO 0.00 0.79 -1.05 0.25 0.37 0.00 0.00 175.52 175.88 3pat h LEU 105 N -0.09 0.55 -0.60 2.58 7.12 -0.70 -2.24 115.31 121.94 3pat h LEU 105 Ca -0.33 -0.48 -0.13 0.00 0.13 0.00 0.00 57.88 57.07 3pat h LEU 105 Cb 1.94 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.88 3pat h LEU 105 CO 0.12 1.30 -0.25 0.58 -0.13 0.00 0.00 178.44 180.06 3pat h VAL 106 N 0.20 1.27 -0.06 1.05 2.07 -1.14 -2.17 116.25 117.47 3pat h VAL 106 Ca -0.11 -1.40 -0.19 0.00 0.82 0.00 0.00 66.70 65.82 3pat h VAL 106 Cb 1.71 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3pat h VAL 106 CO 0.18 0.47 -0.78 0.45 0.02 0.00 0.00 177.57 177.91 3pat h HIS 107 N 0.72 0.55 -0.10 1.57 3.86 -1.53 -3.12 115.15 117.10 3pat h HIS 107 Ca 0.09 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3pat h HIS 107 Cb 0.79 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3pat h HIS 107 CO 0.04 1.03 0.00 0.39 0.86 0.00 0.00 177.93 180.26 3pat n GLU 108 N -3.81 1.45 0.00 2.45 -0.58 -0.84 -4.83 120.64 114.47 3pat n GLU 108 Ca -0.05 -0.67 0.11 0.00 -0.42 0.00 0.00 57.16 56.13 3pat n GLU 108 Cb 0.74 -1.35 0.63 0.00 -0.57 0.00 0.00 31.44 30.89 3pat n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65