#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bro h LEU 5 N 0.00 0.14 -1.28 0.64 5.85 -2.05 -1.84 115.31 116.77 3bro h LEU 5 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3bro h LEU 5 Cb 0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3bro h LEU 5 CO 0.00 0.13 0.48 1.23 -0.34 0.00 0.00 178.44 179.94 3bro h GLY 6 N 0.13 1.03 0.59 3.75 0.00 -2.05 0.07 103.07 106.59 3bro h GLY 6 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3bro h GLY 6 CO -0.01 0.38 -0.00 -0.09 0.00 0.00 0.00 176.54 176.82 3bro h ARG 7 N 1.00 0.02 -0.84 4.80 2.43 -1.94 -2.21 114.38 117.64 3bro h ARG 7 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3bro h ARG 7 Cb -0.11 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3bro h ARG 7 CO -0.06 0.43 0.54 -0.07 -1.51 0.00 0.00 179.97 179.30 3bro h LEU 8 N -0.40 0.98 -0.44 3.80 3.38 -1.15 -1.73 115.31 119.75 3bro h LEU 8 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3bro h LEU 8 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3bro h LEU 8 CO 0.00 0.72 0.16 0.25 0.09 0.00 0.00 178.44 179.66 3bro h LEU 9 N 1.14 0.63 -0.26 1.67 5.85 -0.94 -0.67 115.31 122.73 3bro h LEU 9 Ca 0.31 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3bro h LEU 9 Cb -0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3bro h LEU 9 CO -0.06 0.64 0.14 0.50 -0.34 0.00 0.00 178.44 179.32 3bro h LYS 10 N 0.57 0.35 0.09 1.25 3.64 -1.33 -1.38 116.57 119.76 3bro h LYS 10 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3bro h LYS 10 Cb 0.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3bro h LYS 10 CO -0.01 0.31 -0.04 0.82 -2.27 0.00 0.00 179.45 178.25 3bro h ILE 11 N 0.31 0.93 -0.44 2.00 2.04 -1.07 -0.30 117.51 120.97 3bro h ILE 11 Ca 0.09 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3bro h ILE 11 Cb 0.05 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3bro h ILE 11 CO -0.02 0.02 0.24 0.00 0.00 0.00 0.00 178.15 178.39 3bro h ALA 12 N 0.75 0.56 -0.43 1.87 0.00 -1.07 0.46 119.26 121.39 3bro h ALA 12 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3bro h ALA 12 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3bro h ALA 12 CO 0.02 -0.10 0.21 1.03 0.00 0.00 0.00 179.25 180.41 3bro h SER 13 N 0.48 0.56 0.12 0.00 0.87 -1.19 -3.14 113.55 111.24 3bro h SER 13 Ca 0.19 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 3bro h SER 13 Cb 0.07 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3bro h SER 13 CO -0.11 0.53 -0.48 0.78 -0.53 0.00 0.00 176.83 177.01 3bro h ASN 14 N 0.56 0.46 0.00 6.23 2.35 -0.76 -1.61 115.58 122.80 3bro h ASN 14 Ca 0.15 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3bro h ASN 14 Cb 0.11 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3bro h ASN 14 CO -0.02 0.88 0.00 0.00 -1.65 0.00 0.00 177.43 176.64 3bro n GLN 15 N -3.98 0.04 0.00 0.81 6.02 0.13 -1.45 117.38 118.95 3bro n GLN 15 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3bro n GLN 15 Cb 0.55 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.69 3bro n GLN 15 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3bro n SER 17 N 0.59 0.00 -0.05 1.08 3.41 -0.61 -1.82 113.62 116.22 3bro n SER 17 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3bro n SER 17 Cb 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 3bro n SER 17 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bro h THR 18 N 0.00 0.95 -0.41 6.66 2.02 -1.52 -0.43 112.91 120.19 3bro h THR 18 Ca 0.00 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3bro h THR 18 Cb 0.00 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3bro h THR 18 CO 0.00 0.04 0.26 0.03 0.37 0.00 0.00 175.52 176.21 3bro h ARG 19 N 0.20 0.51 -0.85 6.66 3.08 -1.62 -2.71 114.38 119.64 3bro h ARG 19 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3bro h ARG 19 Cb 0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3bro h ARG 19 CO -0.09 0.34 0.50 0.74 -1.07 0.00 0.00 179.97 180.38 3bro h PHE 20 N 0.52 1.13 -0.15 3.04 -1.00 -1.81 -2.48 116.94 116.20 3bro h PHE 20 Ca 0.15 -0.01 -0.20 0.00 2.81 0.00 0.00 57.97 60.73 3bro h PHE 20 Cb -0.03 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.16 3bro h PHE 20 CO -0.06 0.76 -0.71 0.22 -1.61 0.00 0.00 178.31 176.92 3bro h ASP 21 N 1.18 0.77 -0.47 2.17 3.58 -0.91 -1.63 116.42 121.10 3bro h ASP 21 Ca 0.30 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 3bro h ASP 21 Cb -0.03 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 3bro h ASP 21 CO -0.06 1.25 0.23 0.40 -2.88 0.00 0.00 179.24 178.19 3bro h ILE 22 N 0.46 1.18 -0.11 2.25 2.04 -1.45 -1.49 117.51 120.40 3bro h ILE 22 Ca -0.03 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3bro h ILE 22 Cb 1.31 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3bro h ILE 22 CO 0.14 0.20 -0.02 0.15 0.00 0.00 0.00 178.15 178.62 3bro h PHE 23 N 0.62 0.23 -0.45 1.37 3.57 -1.41 -3.23 116.94 117.65 3bro h PHE 23 Ca 0.16 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3bro h PHE 23 Cb 0.10 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3bro h PHE 23 CO -0.01 0.49 0.04 0.00 -2.23 0.00 0.00 178.31 176.60 3bro h ALA 24 N 0.71 1.24 0.00 2.41 0.00 -1.27 -2.47 119.26 119.88 3bro h ALA 24 Ca 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3bro h ALA 24 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bro h ALA 24 CO 0.01 0.51 -0.17 1.57 0.00 0.00 0.00 179.25 181.17 3bro h LYS 25 N 0.67 0.00 -0.65 0.00 2.10 -1.07 -1.67 116.57 115.96 3bro h LYS 25 Ca 0.14 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.98 3bro h LYS 25 Cb 0.36 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 3bro h LYS 25 CO 0.01 0.17 0.51 0.87 -2.00 0.00 0.00 179.45 179.01 3bro h LYS 26 N 0.00 0.00 0.00 0.07 1.57 -1.52 -2.63 116.57 114.06 3bro h LYS 26 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bro h LYS 26 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3bro h LYS 26 CO 0.02 0.00 -0.44 0.66 -0.57 0.00 0.00 179.45 179.12 3bro n TYR 27 N -4.15 0.00 -3.79 -1.35 4.01 -0.70 -4.97 117.16 106.21 3bro n TYR 27 Ca 0.13 -1.41 -0.27 0.00 -0.16 0.00 0.00 57.90 56.19 3bro n TYR 27 Cb 0.76 -0.23 0.04 0.00 -0.31 0.00 0.00 39.34 39.60 3bro n TYR 27 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3bro n ASP 28 N -1.14 -4.76 -4.28 7.72 9.92 -0.99 -5.00 116.55 118.03 3bro n ASP 28 Ca 0.18 -0.71 -0.24 0.00 -0.53 0.00 0.00 54.79 53.49 3bro n ASP 28 Cb 0.69 -4.26 -0.13 0.00 -0.64 0.00 0.00 41.12 36.79 3bro n ASP 28 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bro s LEU 29 N -7.20 2.28 0.57 0.64 1.43 -0.77 -5.02 118.68 110.61 3bro s LEU 29 Ca 0.55 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3bro s LEU 29 Cb -0.27 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3bro s LEU 29 CO 0.80 0.07 0.94 0.42 0.23 0.00 0.00 176.35 178.81 3bro s THR 30 N -1.10 4.77 0.19 5.49 -4.23 -1.26 -2.73 115.64 116.77 3bro s THR 30 Ca 0.06 0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 61.03 3bro s THR 30 Cb -0.10 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 70.05 3bro s THR 30 CO 0.04 -1.03 1.62 1.23 -0.54 0.00 0.00 174.62 175.94 3bro h GLY 31 N -0.12 0.26 0.97 3.99 0.00 -1.85 -2.56 103.07 103.76 3bro h GLY 31 Ca -0.45 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3bro h GLY 31 CO 0.62 -0.22 0.21 -0.84 0.00 0.00 0.00 176.54 176.30 3bro h THR 32 N -0.06 1.14 0.00 4.70 2.02 -1.94 -1.30 112.91 117.47 3bro h THR 32 Ca 0.26 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3bro h THR 32 Cb 0.46 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3bro h THR 32 CO -0.60 0.14 0.00 0.00 0.37 0.00 0.00 175.52 175.43 3bro n GLN 33 N -4.77 0.00 0.00 6.66 6.02 -0.96 -1.49 117.38 122.84 3bro n GLN 33 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bro n GLN 33 Cb 0.07 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.08 3bro n GLN 33 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bro n THR 35 N 0.82 0.00 -0.04 5.09 -2.24 -0.49 -1.55 114.28 115.86 3bro n THR 35 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3bro n THR 35 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3bro n THR 35 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3bro h ILE 36 N 0.00 1.30 -0.78 2.28 1.08 -1.55 -1.36 117.51 118.49 3bro h ILE 36 Ca 0.00 -1.84 -0.03 0.00 -0.39 0.00 0.00 64.86 62.60 3bro h ILE 36 Cb 0.00 1.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 3bro h ILE 36 CO 0.00 0.58 0.36 0.40 -0.69 0.00 0.00 178.15 178.80 3bro h ILE 37 N 0.45 1.25 -0.09 -0.67 2.04 -1.56 -0.75 117.51 118.17 3bro h ILE 37 Ca -0.03 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3bro h ILE 37 Cb 1.25 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3bro h ILE 37 CO 0.13 0.30 0.02 -0.78 0.00 0.00 0.00 178.15 177.82 3bro h ASP 38 N 1.10 0.00 -0.12 1.72 3.58 -1.81 0.98 116.42 121.88 3bro h ASP 38 Ca 0.27 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.76 3bro h ASP 38 Cb 0.13 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3bro h ASP 38 CO -0.03 0.02 -0.08 0.22 -2.88 0.00 0.00 179.24 176.48 3bro h TYR 39 N 0.05 -0.19 -0.40 0.28 3.20 -1.08 -1.95 116.97 116.88 3bro h TYR 39 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3bro h TYR 39 Cb 0.03 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3bro h TYR 39 CO -0.11 -0.13 0.00 -0.07 -1.64 0.00 0.00 178.16 176.22 3bro h LEU 40 N -0.08 0.60 -0.68 2.82 3.38 -0.94 -2.61 115.31 117.80 3bro h LEU 40 Ca 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3bro h LEU 40 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3bro h LEU 40 CO -0.17 0.67 0.13 -1.28 0.09 0.00 0.00 178.44 177.88 3bro h SER 41 N 0.60 1.05 0.57 -0.43 0.87 -0.61 -2.49 113.55 113.11 3bro h SER 41 Ca 0.13 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3bro h SER 41 Cb 0.38 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3bro h SER 41 CO 0.01 1.03 0.00 0.54 -0.53 0.00 0.00 176.83 177.88 3bro n ARG 42 N -4.24 0.27 -0.71 2.24 1.74 -0.75 -3.25 116.66 111.97 3bro n ARG 42 Ca 0.04 0.05 0.06 0.00 -0.77 0.00 0.00 57.85 57.24 3bro n ARG 42 Cb 0.28 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.35 3bro n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3bro n ASN 43 N -1.34 1.52 0.20 0.55 3.02 -0.97 -4.87 115.26 113.37 3bro n ASN 43 Ca 0.11 -3.17 0.05 0.00 -0.03 0.00 0.00 54.58 51.54 3bro n ASN 43 Cb 0.22 -0.43 0.49 0.00 -0.61 0.00 0.00 39.78 39.45 3bro n ASN 43 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3bro h LYS 44 N 0.74 0.07 -0.01 3.52 1.57 -1.46 -2.10 116.57 118.91 3bro h LYS 44 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3bro h LYS 44 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3bro h LYS 44 CO 0.02 0.21 -0.04 0.27 -0.57 0.00 0.00 179.45 179.35 3bro n ASN 45 N -4.34 1.25 -4.59 0.86 0.23 -1.26 -4.81 115.26 102.60 3bro n ASN 45 Ca -0.02 -1.32 -0.24 0.00 -0.53 0.00 0.00 54.58 52.47 3bro n ASN 45 Cb 0.23 0.02 -0.08 0.00 -2.08 0.00 0.00 39.78 37.86 3bro n ASN 45 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3bro s LYS 46 N -2.10 2.06 0.20 -3.83 -2.85 -0.79 -5.11 119.74 107.32 3bro s LYS 46 Ca 0.36 -1.60 -0.30 0.00 -1.00 0.00 0.00 55.97 53.44 3bro s LYS 46 Cb 0.21 -1.99 -0.08 0.00 -2.06 0.00 0.00 37.83 33.90 3bro s LYS 46 CO 0.37 0.30 1.08 -1.21 0.10 0.00 0.00 175.35 175.99 3bro s GLU 47 N -3.64 4.63 -0.21 1.78 2.02 -1.26 -4.99 118.70 117.04 3bro s GLU 47 Ca 0.32 1.70 0.02 0.00 0.02 0.00 0.00 54.97 57.02 3bro s GLU 47 Cb -0.05 -3.27 0.04 0.00 0.10 0.00 0.00 34.13 30.96 3bro s GLU 47 CO 0.18 0.15 -0.14 0.08 0.02 0.00 0.00 175.26 175.55 3bro s VAL 48 N -0.47 1.95 0.34 2.63 1.01 -1.26 -5.05 120.40 119.55 3bro s VAL 48 Ca 0.48 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3bro s VAL 48 Cb -0.29 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3bro s VAL 48 CO 0.35 0.25 0.61 -0.76 0.00 0.00 0.00 175.10 175.56 3bro s LEU 49 N 1.27 3.97 0.30 3.92 1.43 -1.26 -0.65 118.68 127.66 3bro s LEU 49 Ca -0.01 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 3bro s LEU 49 Cb -0.16 -3.62 0.79 0.00 0.03 0.00 0.00 46.19 43.23 3bro s LEU 49 CO -0.09 -0.29 1.73 -0.61 0.23 0.00 0.00 176.35 177.32 3bro h GLN 50 N 1.31 0.53 0.00 1.70 4.15 -1.95 -1.45 115.11 119.40 3bro h GLN 50 Ca -0.48 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 58.86 3bro h GLN 50 Cb 1.20 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 3bro h GLN 50 CO 0.65 0.35 -0.25 -0.09 -1.93 0.00 0.00 178.83 177.56 3bro h ARG 51 N 0.54 0.00 -0.46 1.69 9.65 -1.95 0.37 114.38 124.23 3bro h ARG 51 Ca 0.60 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.45 3bro h ARG 51 Cb 1.09 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 3bro h ARG 51 CO -0.47 0.25 0.21 -0.44 2.80 0.00 0.00 179.97 182.31 3bro h ASP 52 N 0.00 0.62 -0.43 -3.80 3.32 -1.66 -2.05 116.42 112.43 3bro h ASP 52 Ca -0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 3bro h ASP 52 Cb 0.50 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3bro h ASP 52 CO 0.03 0.59 -0.04 0.25 -1.72 0.00 0.00 179.24 178.35 3bro h LEU 53 N 0.60 0.77 -0.58 1.55 6.46 -1.08 0.63 115.31 123.66 3bro h LEU 53 Ca 0.16 -0.33 0.10 0.00 -0.12 0.00 0.00 57.88 57.68 3bro h LEU 53 Cb 0.15 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 39.80 3bro h LEU 53 CO -0.02 0.92 0.18 -0.33 -0.62 0.00 0.00 178.44 178.57 3bro h GLU 54 N 0.61 0.32 -0.28 1.25 5.08 -0.91 -0.79 114.58 119.86 3bro h GLU 54 Ca 0.12 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3bro h GLU 54 Cb 0.55 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3bro h GLU 54 CO 0.03 0.21 -0.11 0.77 -1.00 0.00 0.00 179.01 178.91 3bro h SER 55 N 0.33 0.59 -0.69 1.42 0.02 -1.12 -0.20 113.55 113.90 3bro h SER 55 Ca 0.29 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3bro h SER 55 Cb 0.39 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3bro h SER 55 CO -0.33 0.85 0.45 -0.08 -1.14 0.00 0.00 176.83 176.58 3bro h GLU 56 N 0.32 0.88 -0.29 3.45 4.57 -0.47 -3.13 114.58 119.92 3bro h GLU 56 Ca 0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3bro h GLU 56 Cb 0.62 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3bro h GLU 56 CO 0.04 0.58 0.00 1.19 -1.18 0.00 0.00 179.01 179.64 3bro n PHE 57 N -4.63 0.36 -4.18 0.92 3.01 -0.34 -4.97 117.46 107.64 3bro n PHE 57 Ca 0.06 -0.18 -0.36 0.00 1.01 0.00 0.00 57.45 57.98 3bro n PHE 57 Cb 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 3bro n PHE 57 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3bro n SER 58 N 1.28 -1.12 -4.54 4.37 7.64 -0.20 -5.00 113.62 116.05 3bro n SER 58 Ca 0.18 -1.25 -0.26 0.00 1.01 0.00 0.00 58.87 58.55 3bro n SER 58 Cb 0.56 -1.83 -0.10 0.00 -1.01 0.00 0.00 64.21 61.84 3bro n SER 58 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3bro s ILE 59 N -4.02 2.99 0.58 0.44 -4.36 -0.53 -5.03 121.20 111.27 3bro s ILE 59 Ca 0.19 -1.85 -0.17 0.00 -0.26 0.00 0.00 60.65 58.55 3bro s ILE 59 Cb -0.10 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 3bro s ILE 59 CO 0.97 -0.18 1.08 -0.54 0.24 0.00 0.00 174.94 176.52 3bro s LYS 60 N -3.00 3.26 0.25 0.37 1.02 -1.26 -4.69 119.74 115.69 3bro s LYS 60 Ca 0.26 1.37 -0.04 0.00 0.02 0.00 0.00 55.97 57.58 3bro s LYS 60 Cb -0.08 -2.01 0.50 0.00 -0.52 0.00 0.00 37.83 35.72 3bro s LYS 60 CO 0.15 -0.88 1.69 0.77 -0.92 0.00 0.00 175.35 176.16 3bro h SER 61 N 0.68 0.05 -0.11 2.83 0.02 -1.98 -1.37 113.55 113.67 3bro h SER 61 Ca -0.48 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3bro h SER 61 Cb 1.24 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 3bro h SER 61 CO 0.57 -0.03 -0.02 0.77 -1.14 0.00 0.00 176.83 176.98 3bro h SER 62 N 0.29 -0.08 -0.30 3.07 4.64 -1.99 -0.71 113.55 118.46 3bro h SER 62 Ca 0.44 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.82 3bro h SER 62 Cb 0.75 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3bro h SER 62 CO -0.51 -0.03 0.10 0.74 -0.87 0.00 0.00 176.83 176.26 3bro h THR 63 N 0.01 0.92 -0.89 2.95 2.02 -1.87 -2.17 112.91 113.88 3bro h THR 63 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3bro h THR 63 Cb 0.07 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3bro h THR 63 CO -0.10 0.04 0.57 0.00 0.37 0.00 0.00 175.52 176.40 3bro h ALA 64 N 1.19 1.33 -0.45 6.16 0.00 -1.03 -0.25 119.26 126.21 3bro h ALA 64 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3bro h ALA 64 Cb 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3bro h ALA 64 CO -0.14 0.60 -0.03 1.15 0.00 0.00 0.00 179.25 180.84 3bro h THR 65 N 1.21 1.27 -0.30 0.00 2.02 -0.86 -0.72 112.91 115.53 3bro h THR 65 Ca 0.32 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 3bro h THR 65 Cb -0.11 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3bro h THR 65 CO -0.07 0.38 0.00 0.58 0.37 0.00 0.00 175.52 176.78 3bro h VAL 66 N 0.65 1.26 0.12 3.16 2.07 -1.02 -0.03 116.25 122.46 3bro h VAL 66 Ca 0.12 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3bro h VAL 66 Cb 0.54 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3bro h VAL 66 CO 0.03 0.30 -0.08 0.25 0.02 0.00 0.00 177.57 178.09 3bro h LEU 67 N 0.32 -0.19 -1.02 2.57 6.46 -0.96 -1.90 115.31 120.59 3bro h LEU 67 Ca 0.09 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3bro h LEU 67 Cb 0.43 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3bro h LEU 67 CO 0.02 -0.13 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.63 3bro h LEU 68 N -0.20 0.66 -0.50 2.25 3.38 -1.12 -3.03 115.31 116.76 3bro h LEU 68 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3bro h LEU 68 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3bro h LEU 68 CO 0.01 0.74 0.25 -0.61 0.09 0.00 0.00 178.44 178.92 3bro h GLN 69 N 0.65 0.71 0.00 1.13 5.75 -0.75 -1.04 115.11 121.56 3bro h GLN 69 Ca 0.13 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3bro h GLN 69 Cb 0.42 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3bro h GLN 69 CO 0.02 0.58 0.00 -2.13 -2.65 0.00 0.00 178.83 174.65 3bro n ARG 70 N -4.62 0.00 0.00 1.69 0.00 -0.74 -1.64 116.66 111.35 3bro n ARG 70 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3bro n ARG 70 Cb 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 32.46 31.75 3bro n ARG 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3bro n GLU 72 N 0.24 0.00 0.09 -0.14 1.02 -0.40 -1.65 120.64 119.81 3bro n GLU 72 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3bro n GLU 72 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 31.84 3bro n GLU 72 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bro h ILE 73 N 0.00 1.14 -0.04 -3.67 2.04 -1.58 0.22 117.51 115.62 3bro h ILE 73 Ca 0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3bro h ILE 73 Cb 0.00 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3bro h ILE 73 CO 0.00 0.18 0.00 0.29 0.00 0.00 0.00 178.15 178.62 3bro n LYS 74 N -4.36 1.17 -3.73 2.37 5.02 -0.66 -4.88 118.16 113.10 3bro n LYS 74 Ca 0.00 -0.26 -0.26 0.00 -2.02 0.00 0.00 58.31 55.77 3bro n LYS 74 Cb 0.19 -1.30 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 3bro n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bro n LYS 75 N -0.51 -6.94 -0.06 1.97 5.02 0.07 -4.89 118.16 112.81 3bro n LYS 75 Ca 0.14 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 57.09 3bro n LYS 75 Cb 0.12 -5.72 -0.15 0.00 -0.02 0.00 0.00 35.03 29.27 3bro n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bro n LEU 76 N -4.86 0.29 -3.89 -0.35 4.77 -1.26 -4.61 117.00 107.09 3bro n LEU 76 Ca 0.02 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 3bro n LEU 76 Cb 0.55 0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.94 3bro n LEU 76 CO 0.69 0.41 0.17 -1.48 -1.33 0.00 0.00 177.39 175.85 3bro s LEU 77 N -5.60 0.39 0.27 2.23 0.05 -1.26 -0.96 118.68 113.80 3bro s LEU 77 Ca -0.08 -0.74 -0.14 0.00 0.05 0.00 0.00 54.13 53.22 3bro s LEU 77 Cb 0.07 1.78 0.00 0.00 -2.05 0.00 0.00 46.19 45.99 3bro s LEU 77 CO 0.83 -1.05 0.54 -0.72 -0.55 0.00 0.00 176.35 175.40 3bro s TYR 78 N -3.95 0.30 -0.12 3.48 1.13 -0.21 -4.20 117.35 113.78 3bro s TYR 78 Ca 0.16 -0.69 -0.03 0.00 -1.41 0.00 0.00 57.07 55.10 3bro s TYR 78 Cb 0.00 0.31 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 3bro s TYR 78 CO 0.02 -1.09 0.01 1.03 -2.51 0.00 0.00 175.55 173.02 3bro s ARG 79 N -3.83 3.29 -0.00 -3.49 0.52 -1.26 -0.70 118.95 113.48 3bro s ARG 79 Ca 0.20 -0.41 0.08 0.00 -0.52 0.00 0.00 55.73 55.09 3bro s ARG 79 Cb -0.02 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 3bro s ARG 79 CO 0.10 0.55 -0.26 0.21 0.02 0.00 0.00 175.30 175.92 3bro s LYS 80 N -0.46 2.01 0.21 3.54 2.20 -0.67 -4.94 119.74 121.63 3bro s LYS 80 Ca 0.08 -0.97 -0.32 0.00 -0.36 0.00 0.00 55.97 54.40 3bro s LYS 80 Cb -0.12 -2.01 -0.12 0.00 -1.51 0.00 0.00 37.83 34.07 3bro s LYS 80 CO 0.02 0.54 1.68 0.28 -0.36 0.00 0.00 175.35 177.51 3bro n VAL 81 N 2.26 0.16 -2.29 4.02 0.31 -1.26 -0.54 118.33 120.98 3bro n VAL 81 Ca -0.16 -0.04 -0.36 0.00 -0.01 0.00 0.00 64.34 63.77 3bro n VAL 81 Cb 0.51 -1.90 -0.01 0.00 -0.91 0.00 0.00 33.84 31.53 3bro n VAL 81 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bro s SER 82 N 1.02 6.04 0.20 4.52 0.15 -0.07 -4.78 113.70 120.79 3bro s SER 82 Ca 0.74 2.21 0.17 0.00 0.70 0.00 0.00 55.95 59.78 3bro s SER 82 Cb -0.53 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.19 3bro s SER 82 CO 0.36 -1.00 1.18 1.23 1.20 0.00 0.00 173.24 176.20 3bro h GLY 83 N 1.71 0.00 1.11 9.45 0.00 -1.91 -3.30 103.07 110.13 3bro h GLY 83 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3bro h GLY 83 CO 0.59 0.00 -0.84 0.50 0.00 0.00 0.00 176.54 176.79 3bro h LYS 84 N 0.00 0.00 -0.94 4.80 1.57 -1.97 -3.45 116.57 116.58 3bro h LYS 84 Ca -0.06 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3bro h LYS 84 Cb 1.37 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.47 3bro h LYS 84 CO 0.04 0.00 -0.21 0.34 -0.57 0.00 0.00 179.45 179.05 3bro s ASP 85 N -5.21 -1.26 0.00 0.86 -1.08 -1.25 -5.03 116.67 103.71 3bro s ASP 85 Ca 0.01 0.82 0.05 0.00 -0.52 0.00 0.00 52.55 52.92 3bro s ASP 85 Cb 0.10 2.07 0.27 0.00 -1.46 0.00 0.00 42.92 43.90 3bro s ASP 85 CO 0.77 -0.24 0.93 -1.54 0.52 0.00 0.00 175.17 175.61 3bro n SER 86 N 5.43 0.00 0.03 -0.34 3.41 -1.24 -0.77 113.62 120.14 3bro n SER 86 Ca -0.02 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 3bro n SER 86 Cb 0.51 -0.20 0.21 0.00 -0.26 0.00 0.00 64.21 64.48 3bro n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bro n ARG 87 N -1.20 0.16 -4.02 4.33 1.74 -1.26 -4.78 116.66 111.63 3bro n ARG 87 Ca 0.03 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 3bro n ARG 87 Cb 0.03 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 3bro n ARG 87 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3bro s GLN 88 N -3.09 3.03 -0.13 5.56 -0.21 0.05 -5.04 119.66 119.82 3bro s GLN 88 Ca 0.08 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 54.84 3bro s GLN 88 Cb 0.15 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.36 3bro s GLN 88 CO 0.71 0.57 -0.19 0.15 -2.12 0.00 0.00 175.29 174.41 3bro s LYS 89 N -2.49 3.14 0.45 2.91 1.02 -1.26 -0.89 119.74 122.62 3bro s LYS 89 Ca 0.31 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.40 3bro s LYS 89 Cb -0.12 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 3bro s LYS 89 CO 0.24 0.08 0.81 0.00 -0.92 0.00 0.00 175.35 175.56 3bro s LEU 91 N -4.18 4.30 -0.02 0.00 1.43 0.17 -1.68 118.68 118.70 3bro s LEU 91 Ca 0.51 0.65 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 3bro s LEU 91 Cb -0.10 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 3bro s LEU 91 CO 0.36 0.14 -0.13 -0.54 0.23 0.00 0.00 176.35 176.42 3bro s LYS 92 N 0.13 1.20 0.39 1.70 -0.14 0.13 -4.65 119.74 118.50 3bro s LYS 92 Ca 0.20 -0.44 -0.24 0.00 -1.36 0.00 0.00 55.97 54.13 3bro s LYS 92 Cb -0.14 -1.11 -0.10 0.00 -1.68 0.00 0.00 37.83 34.80 3bro s LYS 92 CO 0.07 0.21 1.00 -0.51 -0.76 0.00 0.00 175.35 175.36 3bro s LEU 93 N -0.03 4.15 0.78 3.17 1.43 -1.26 -1.05 118.68 125.88 3bro s LEU 93 Ca -0.00 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 3bro s LEU 93 Cb -0.08 -4.21 0.07 0.00 0.03 0.00 0.00 46.19 42.00 3bro s LEU 93 CO 0.01 -0.36 1.14 0.42 0.23 0.00 0.00 176.35 177.78 3bro s THR 94 N -1.74 2.20 0.25 5.49 -4.23 -0.13 -4.87 115.64 112.61 3bro s THR 94 Ca 0.57 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3bro s THR 94 Cb -0.19 -3.05 0.23 0.00 1.34 0.00 0.00 72.50 70.83 3bro s THR 94 CO 0.24 -0.06 1.85 0.11 -0.54 0.00 0.00 174.62 176.22 3bro h LYS 95 N -0.93 0.97 -0.56 3.99 1.57 -1.89 -0.31 116.57 119.40 3bro h LYS 95 Ca -0.46 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.38 3bro h LYS 95 Cb 1.32 -0.22 -0.11 0.00 0.08 0.00 0.00 32.23 33.31 3bro h LYS 95 CO 0.65 0.64 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.83 3bro h LYS 96 N 1.00 0.01 -0.17 3.15 3.64 -1.92 -2.19 116.57 120.09 3bro h LYS 96 Ca 0.39 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.59 3bro h LYS 96 Cb 0.19 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3bro h LYS 96 CO -0.18 0.01 -0.63 0.00 -2.27 0.00 0.00 179.45 176.38 3bro h ALA 97 N 1.56 0.56 0.00 5.00 0.00 -1.65 -3.11 119.26 121.62 3bro h ALA 97 Ca 0.27 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3bro h ALA 97 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bro h ALA 97 CO -0.57 0.70 -0.01 -0.91 0.00 0.00 0.00 179.25 178.47 3bro h ASN 98 N 0.46 0.00 0.62 0.00 -0.26 -0.73 -0.51 115.58 115.15 3bro h ASN 98 Ca -0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3bro h ASN 98 Cb 1.21 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.47 3bro h ASN 98 CO 0.12 0.01 -0.03 0.11 -1.06 0.00 0.00 177.43 176.58 3bro h LYS 99 N 0.00 0.00 -0.18 0.81 1.57 -1.33 -2.37 116.57 115.07 3bro h LYS 99 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bro h LYS 99 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3bro h LYS 99 CO 0.00 0.03 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 3bro n LEU 100 N -3.18 2.83 -0.03 2.94 4.77 -0.20 -4.65 117.00 119.47 3bro n LEU 100 Ca -0.01 -1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 54.77 3bro n LEU 100 Cb 0.23 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3bro n LEU 100 CO 0.26 0.54 0.83 -0.33 -1.33 0.00 0.00 177.39 177.36 3bro h GLU 101 N 4.03 0.21 -0.73 3.23 5.08 -1.43 -0.71 114.58 124.26 3bro h GLU 101 Ca 0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3bro h GLU 101 Cb 0.87 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3bro h GLU 101 CO 0.00 0.32 0.23 1.79 -1.00 0.00 0.00 179.01 180.34 3bro h THR 102 N 0.06 1.26 -0.11 1.13 1.35 -1.82 -1.16 112.91 113.62 3bro h THR 102 Ca 0.05 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3bro h THR 102 Cb 0.19 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3bro h THR 102 CO -0.00 0.35 0.04 0.40 -0.25 0.00 0.00 175.52 176.06 3bro h ILE 103 N 1.08 1.17 -0.11 6.82 2.04 -1.80 -1.35 117.51 125.36 3bro h ILE 103 Ca 0.24 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3bro h ILE 103 Cb 0.30 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3bro h ILE 103 CO -0.01 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 178.67 3bro h ILE 104 N 0.01 1.28 -0.30 -0.67 2.04 -1.08 -1.19 117.51 117.60 3bro h ILE 104 Ca 0.04 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.04 3bro h ILE 104 Cb 0.20 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 3bro h ILE 104 CO -0.00 0.26 -0.18 0.25 0.00 0.00 0.00 178.15 178.48 3bro h LEU 105 N -0.10 -0.59 -0.65 1.44 5.85 -1.20 -2.54 115.31 117.51 3bro h LEU 105 Ca 0.03 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3bro h LEU 105 Cb 0.42 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3bro h LEU 105 CO 0.01 -0.22 0.26 -1.28 -0.34 0.00 0.00 178.44 176.87 3bro h SER 106 N -0.15 0.89 0.00 1.25 0.87 -1.19 0.10 113.55 115.33 3bro h SER 106 Ca 0.16 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3bro h SER 106 Cb 0.39 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3bro h SER 106 CO -0.39 0.82 0.00 0.00 -0.53 0.00 0.00 176.83 176.73 3bro n TYR 107 N -4.42 0.00 0.00 2.24 9.36 -0.46 -1.81 117.16 122.07 3bro n TYR 107 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3bro n TYR 107 Cb 0.17 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 3bro n TYR 107 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3bro n ASP 109 N 0.13 0.00 -0.15 2.98 8.00 0.35 -0.63 116.55 127.23 3bro n ASP 109 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3bro n ASP 109 Cb 0.01 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.21 3bro n ASP 109 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3bro h SER 110 N 0.00 0.89 -0.70 -2.24 0.02 -1.60 -1.16 113.55 108.76 3bro h SER 110 Ca 0.00 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3bro h SER 110 Cb 0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3bro h SER 110 CO 0.00 0.96 0.25 -0.78 -1.14 0.00 0.00 176.83 176.12 3bro h ASP 111 N 0.84 0.99 0.74 3.07 3.58 -1.13 -1.22 116.42 123.29 3bro h ASP 111 Ca 0.15 -0.19 -0.22 0.00 0.42 0.00 0.00 57.03 57.20 3bro h ASP 111 Cb 0.52 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3bro h ASP 111 CO 0.03 0.91 -0.99 0.06 -2.88 0.00 0.00 179.24 176.37 3bro h GLN 112 N 1.01 0.14 -0.78 0.28 3.07 -1.79 -3.08 115.11 113.97 3bro h GLN 112 Ca 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 3bro h GLN 112 Cb 0.25 0.06 -0.04 0.00 0.08 0.00 0.00 27.48 27.84 3bro h GLN 112 CO -0.01 1.02 0.40 0.77 0.09 0.00 0.00 178.83 181.09 3bro h SER 113 N 0.06 0.98 0.00 0.06 0.02 -1.11 -2.19 113.55 111.37 3bro h SER 113 Ca -0.05 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3bro h SER 113 Cb 1.69 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3bro h SER 113 CO 0.15 0.81 0.00 1.67 -1.14 0.00 0.00 176.83 178.31 3bro n GLN 114 N -4.34 0.48 0.00 3.45 -0.06 -0.47 -2.17 117.38 114.28 3bro n GLN 114 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 3bro n GLN 114 Cb 0.12 -1.25 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 3bro n GLN 114 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3bro n THR 116 N 0.53 0.00 -2.08 1.69 -2.24 -0.82 -4.92 114.28 106.43 3bro n THR 116 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3bro n THR 116 Cb 0.19 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 3bro n THR 116 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bro s SER 117 N 0.00 6.47 0.00 3.42 1.04 -0.92 -1.58 113.70 122.12 3bro s SER 117 Ca 0.00 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.08 3bro s SER 117 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3bro s SER 117 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3bro n GLY 118 N 0.70 2.19 3.77 7.32 0.00 -1.26 -5.01 105.19 112.90 3bro n GLY 118 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3bro n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bro s LEU 119 N 0.00 4.47 0.54 0.99 1.43 -0.62 -5.04 118.68 120.45 3bro s LEU 119 Ca 0.00 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.22 3bro s LEU 119 Cb 0.00 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 3bro s LEU 119 CO 0.00 0.12 1.19 0.20 0.23 0.00 0.00 176.35 178.09 3bro s ASN 120 N -0.44 5.61 0.25 2.29 0.02 -1.26 -4.89 114.94 116.52 3bro s ASN 120 Ca 0.33 2.34 -0.04 0.00 -1.02 0.00 0.00 52.86 54.47 3bro s ASN 120 Cb -0.20 -2.60 0.50 0.00 0.02 0.00 0.00 41.25 38.97 3bro s ASN 120 CO 0.20 -1.30 1.69 0.50 0.02 0.00 0.00 177.10 178.21 3bro h LYS 121 N 1.33 0.28 0.00 -0.60 3.64 -1.97 -0.90 116.57 118.35 3bro h LYS 121 Ca -0.50 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3bro h LYS 121 Cb 1.27 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3bro h LYS 121 CO 0.57 0.19 -0.11 1.05 -2.27 0.00 0.00 179.45 178.88 3bro h GLU 122 N 0.29 0.00 -0.40 1.90 9.09 -1.99 -1.84 114.58 121.63 3bro h GLU 122 Ca 0.43 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.76 3bro h GLU 122 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.84 3bro h GLU 122 CO -0.51 0.11 -0.10 0.93 0.05 0.00 0.00 179.01 179.49 3bro h GLU 123 N 0.00 0.77 -0.29 1.06 5.08 -1.55 -1.07 114.58 118.58 3bro h GLU 123 Ca -0.00 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3bro h GLU 123 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3bro h GLU 123 CO 0.01 0.90 0.14 0.28 -1.00 0.00 0.00 179.01 179.35 3bro h VAL 124 N 0.58 1.15 -0.09 3.13 2.07 -1.00 -1.23 116.25 120.85 3bro h VAL 124 Ca 0.10 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3bro h VAL 124 Cb 0.62 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3bro h VAL 124 CO 0.04 0.15 0.06 0.58 0.02 0.00 0.00 177.57 178.42 3bro h VAL 125 N 0.34 1.04 -0.57 2.57 2.07 -1.33 -2.09 116.25 118.28 3bro h VAL 125 Ca 0.10 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3bro h VAL 125 Cb 0.12 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3bro h VAL 125 CO -0.01 0.04 0.15 0.15 0.02 0.00 0.00 177.57 177.92 3bro h PHE 126 N 0.11 0.25 -0.64 1.57 3.57 -1.03 -1.58 116.94 119.19 3bro h PHE 126 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3bro h PHE 126 Cb 0.01 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3bro h PHE 126 CO -0.07 0.02 0.41 -0.07 -2.23 0.00 0.00 178.31 176.38 3bro h LEU 127 N 0.30 0.69 -0.60 0.59 3.38 -0.99 -0.81 115.31 117.87 3bro h LEU 127 Ca 0.29 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3bro h LEU 127 Cb 0.39 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3bro h LEU 127 CO -0.34 0.49 0.37 -0.33 0.09 0.00 0.00 178.44 178.72 3bro h GLU 128 N 0.82 0.71 -0.49 1.13 5.08 -0.91 -0.39 114.58 120.53 3bro h GLU 128 Ca 0.25 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3bro h GLU 128 Cb -0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3bro h GLU 128 CO -0.08 0.47 -0.11 0.87 -1.00 0.00 0.00 179.01 179.15 3bro h LYS 129 N 0.73 0.91 0.04 2.33 1.79 -0.88 -0.97 116.57 120.52 3bro h LYS 129 Ca 0.24 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3bro h LYS 129 Cb 0.01 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3bro h LYS 129 CO -0.09 0.98 -0.02 0.82 -1.08 0.00 0.00 179.45 180.05 3bro h ILE 130 N 0.82 1.09 -0.88 1.86 2.04 -0.75 -2.62 117.51 119.07 3bro h ILE 130 Ca 0.13 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3bro h ILE 130 Cb 0.64 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 3bro h ILE 130 CO 0.04 0.10 0.58 -0.07 0.00 0.00 0.00 178.15 178.80 3bro h LEU 131 N -0.23 0.98 -0.67 1.44 3.38 -1.01 -1.77 115.31 117.43 3bro h LEU 131 Ca -0.01 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3bro h LEU 131 Cb 0.21 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 3bro h LEU 131 CO 0.01 0.69 0.25 0.50 0.09 0.00 0.00 178.44 179.98 3bro h LYS 132 N 1.15 0.41 -1.51 1.13 3.64 -1.10 -0.94 116.57 119.34 3bro h LYS 132 Ca 0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3bro h LYS 132 Cb -0.07 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3bro h LYS 132 CO -0.09 0.27 0.00 0.54 -2.27 0.00 0.00 179.45 177.90 3bro n ARG 133 N -5.00 0.19 0.00 1.90 1.74 -0.67 -1.74 116.66 113.09 3bro n ARG 133 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3bro n ARG 133 Cb 0.33 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3bro n ARG 133 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3bro n ILE 135 N 0.81 0.00 -0.04 0.55 5.41 -0.36 -1.76 119.36 123.97 3bro n ILE 135 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3bro n ILE 135 Cb 0.09 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.95 3bro n ILE 135 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3bro h GLU 136 N 0.00 0.24 0.00 0.38 4.57 -1.60 -3.55 114.58 114.62 3bro h GLU 136 Ca 0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3bro h GLU 136 Cb 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3bro h GLU 136 CO 0.00 0.50 0.00 0.43 -1.18 0.00 0.00 179.01 178.76