#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avp h GLY 2 N 0.00 -0.21 -6.12 -5.12 0.00 -1.97 0.16 103.07 89.81 1avp h GLY 2 Ca 0.00 0.08 -0.61 0.00 0.00 0.00 0.00 47.33 46.80 1avp h GLY 2 CO 0.00 -0.08 2.57 1.44 0.00 0.00 0.00 176.54 180.48 1avp n SER 3 N -5.06 3.50 -2.47 0.19 7.64 -1.22 -4.35 113.62 111.85 1avp n SER 3 Ca -0.09 -2.63 -0.03 0.00 1.01 0.00 0.00 58.87 57.14 1avp n SER 3 Cb 0.20 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.16 1avp n SER 3 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1avp n SER 4 N 6.41 -3.66 -3.53 6.43 3.41 -1.23 -4.87 113.62 116.57 1avp n SER 4 Ca 0.50 1.18 -0.27 0.00 -0.26 0.00 0.00 58.87 60.02 1avp n SER 4 Cb 0.34 -4.64 0.21 0.00 -0.26 0.00 0.00 64.21 59.86 1avp n SER 4 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1avp n GLU 5 N 1.04 -2.36 0.00 4.33 0.00 0.58 -3.48 120.64 120.75 1avp n GLU 5 Ca -0.19 -1.65 0.00 0.00 0.00 0.00 0.00 57.16 55.32 1avp n GLU 5 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.35 1avp n GLU 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1avp n GLN 6 N -4.18 0.64 -1.77 3.44 6.02 -1.26 -3.40 117.38 116.87 1avp n GLN 6 Ca 0.14 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.82 1avp n GLN 6 Cb 0.52 -1.23 0.05 0.00 1.02 0.00 0.00 30.24 30.60 1avp n GLN 6 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1avp n GLU 7 N 0.51 3.09 0.09 -1.09 4.71 -1.26 -3.81 120.64 122.88 1avp n GLU 7 Ca 0.00 -3.75 0.12 0.00 -0.01 0.00 0.00 57.16 53.53 1avp n GLU 7 Cb 0.27 -2.28 0.23 0.00 -1.01 0.00 0.00 31.44 28.65 1avp n GLU 7 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1avp h LEU 8 N 2.26 0.00 -0.16 -4.62 3.38 -1.94 -3.23 115.31 111.00 1avp h LEU 8 Ca 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1avp h LEU 8 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1avp h LEU 8 CO 1.22 0.06 0.03 0.11 0.09 0.00 0.00 178.44 179.95 1avp h LYS 9 N 0.00 0.26 -0.01 1.13 1.57 -1.88 0.81 116.57 118.45 1avp h LYS 9 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1avp h LYS 9 Cb 0.78 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1avp h LYS 9 CO 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 1avp h ALA 10 N 0.83 0.01 -0.47 3.86 0.00 -1.85 0.14 119.26 121.78 1avp h ALA 10 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1avp h ALA 10 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1avp h ALA 10 CO 0.00 -0.48 0.15 0.82 0.00 0.00 0.00 179.25 179.74 1avp h ILE 11 N -0.01 1.22 -0.73 0.00 2.04 -1.60 -0.21 117.51 118.21 1avp h ILE 11 Ca 0.00 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1avp h ILE 11 Cb 0.02 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1avp h ILE 11 CO -0.00 0.27 0.49 0.58 0.00 0.00 0.00 178.15 179.48 1avp h VAL 12 N 0.63 1.15 -0.25 1.67 2.07 0.89 -0.32 116.25 122.09 1avp h VAL 12 Ca 0.15 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1avp h VAL 12 Cb 0.26 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1avp h VAL 12 CO -0.01 0.17 0.06 0.50 0.02 0.00 0.00 177.57 178.32 1avp h LYS 13 N 0.95 0.40 -0.96 1.57 3.64 -0.25 -2.63 116.57 119.29 1avp h LYS 13 Ca 0.28 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1avp h LYS 13 Cb -0.03 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1avp h LYS 13 CO -0.07 0.49 0.63 -0.44 -2.27 0.00 0.00 179.45 177.80 1avp h ASP 14 N 0.23 1.10 0.00 4.20 3.32 0.53 -2.49 116.42 123.31 1avp h ASP 14 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1avp h ASP 14 Cb 0.27 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1avp h ASP 14 CO 0.00 0.80 0.00 0.18 -1.72 0.00 0.00 179.24 178.50 1avp n LEU 15 N -4.42 0.00 -0.00 1.55 4.77 -0.30 -4.87 117.00 113.73 1avp n LEU 15 Ca 0.11 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1avp n LEU 15 Cb 0.01 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1avp n LEU 15 CO 0.37 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1avp n GLY 16 N 0.12 0.38 0.35 -0.72 0.00 -0.94 -4.88 105.19 99.50 1avp n GLY 16 Ca 0.12 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.20 1avp n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avp n GLY 18 N 1.36 -2.08 0.12 0.00 0.00 -1.26 -0.43 105.19 102.91 1avp n GLY 18 Ca 0.11 1.02 0.08 0.00 0.00 0.00 0.00 46.02 47.23 1avp n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1avp n PRO 19 N -5.18 0.10 -0.00 1.61 -0.04 -1.26 -2.23 135.00 128.00 1avp n PRO 19 Ca 0.05 0.60 0.03 0.00 -0.04 0.00 0.00 63.50 64.13 1avp n PRO 19 Cb 0.28 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1avp n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1avp n TYR 20 N -2.04 0.00 -2.63 0.54 4.01 0.43 -5.00 117.16 112.47 1avp n TYR 20 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 1avp n TYR 20 Cb 0.04 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1avp n TYR 20 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1avp s PHE 21 N -1.87 2.92 -0.41 -0.72 5.36 -0.28 -1.52 117.98 121.47 1avp s PHE 21 Ca 0.01 0.83 0.26 0.00 -0.96 0.00 0.00 56.93 57.07 1avp s PHE 21 Cb 0.04 -4.17 0.70 0.00 -0.34 0.00 0.00 43.02 39.26 1avp s PHE 21 CO 0.25 -1.10 1.73 -0.07 -1.46 0.00 0.00 175.22 174.57 1avp h LEU 22 N 10.83 0.00 0.00 6.12 3.38 -1.53 -3.49 115.31 130.62 1avp h LEU 22 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1avp h LEU 22 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1avp h LEU 22 CO 1.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.23 1avp n GLY 23 N 0.85 -0.03 3.86 0.83 0.00 -1.26 -5.04 105.19 104.41 1avp n GLY 23 Ca 0.04 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 1avp n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1avp s THR 24 N -0.78 5.17 0.23 2.61 -4.23 -1.26 -2.62 115.64 114.76 1avp s THR 24 Ca 0.00 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1avp s THR 24 Cb 0.00 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1avp s THR 24 CO 0.00 0.45 0.18 -0.31 -0.54 0.00 0.00 174.62 174.39 1avp s TYR 25 N -1.22 1.25 0.03 3.99 1.51 -0.28 -4.97 117.35 117.66 1avp s TYR 25 Ca 0.26 -1.41 0.00 0.00 -1.01 0.00 0.00 57.07 54.92 1avp s TYR 25 Cb -0.14 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 1avp s TYR 25 CO 0.14 -0.70 0.03 -0.40 -1.11 0.00 0.00 175.55 173.51 1avp n ASP 26 N -0.53 0.70 0.12 2.29 5.75 -1.26 -0.96 116.55 122.65 1avp n ASP 26 Ca 0.03 -1.09 0.20 0.00 -0.01 0.00 0.00 54.79 53.91 1avp n ASP 26 Cb 0.65 -0.01 0.72 0.00 -1.03 0.00 0.00 41.12 41.45 1avp n ASP 26 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1avp h LYS 27 N 0.00 0.00 0.00 0.11 2.10 -0.55 -2.43 116.57 115.80 1avp h LYS 27 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1avp h LYS 27 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1avp h LYS 27 CO 0.03 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 178.02 1avp n ARG 28 N -3.50 0.46 -1.68 0.07 1.74 -1.26 -4.89 116.66 107.60 1avp n ARG 28 Ca 0.07 0.05 -0.62 0.00 -0.77 0.00 0.00 57.85 56.58 1avp n ARG 28 Cb 0.65 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1avp n ARG 28 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1avp n PHE 29 N -1.12 1.65 0.03 -1.55 7.35 -0.92 -4.87 117.46 118.03 1avp n PHE 29 Ca 0.12 0.89 -0.09 0.00 -0.76 0.00 0.00 57.45 57.61 1avp n PHE 29 Cb 0.10 -2.29 0.06 0.00 0.35 0.00 0.00 39.48 37.70 1avp n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1avp h PRO 30 N 5.32 0.45 0.00 -7.13 0.11 -1.93 -3.43 132.00 125.39 1avp h PRO 30 Ca -0.46 -0.31 0.00 0.00 0.11 0.00 0.00 66.00 65.33 1avp h PRO 30 Cb 1.36 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1avp h PRO 30 CO 0.90 0.93 0.00 0.41 -0.21 0.00 0.00 178.00 180.03 1avp n GLY 31 N 0.35 0.81 3.38 -0.55 0.00 -1.26 -4.33 105.19 103.58 1avp n GLY 31 Ca -0.03 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1avp n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1avp s PHE 32 N -1.80 3.00 -0.81 1.61 0.08 -1.26 -4.95 117.98 113.85 1avp s PHE 32 Ca 0.00 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.38 1avp s PHE 32 Cb 0.00 -2.11 0.20 0.00 -0.57 0.00 0.00 43.02 40.54 1avp s PHE 32 CO 0.00 -0.40 0.65 0.14 -0.10 0.00 0.00 175.22 175.51 1avp s VAL 33 N 1.30 3.70 -0.50 -0.44 -7.23 -1.26 -4.14 120.40 111.83 1avp s VAL 33 Ca 0.04 -4.05 0.06 0.00 -1.81 0.00 0.00 61.98 56.22 1avp s VAL 33 Cb -0.15 -3.34 0.21 0.00 0.56 0.00 0.00 36.38 33.66 1avp s VAL 33 CO -0.00 -1.05 0.80 -0.24 -0.31 0.00 0.00 175.10 174.30 1avp n SER 34 N 2.17 -3.21 -0.02 4.85 2.88 -1.26 -5.01 113.62 114.03 1avp n SER 34 Ca 0.20 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 1avp n SER 34 Cb 0.36 1.77 0.00 0.00 -0.75 0.00 0.00 64.21 65.59 1avp n SER 34 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1avp n PRO 35 N 2.40 0.88 0.00 -1.46 -0.04 -1.26 -3.55 135.00 131.97 1avp n PRO 35 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1avp n PRO 35 Cb 0.59 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1avp n PRO 35 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1avp n HIS 36 N -0.48 0.00 -4.38 0.54 1.44 -1.26 -4.88 115.22 106.20 1avp n HIS 36 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1avp n HIS 36 Cb 0.01 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.02 1avp n HIS 36 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1avp s LYS 37 N -0.57 1.41 0.03 -1.40 1.02 -1.23 -4.96 119.74 114.04 1avp s LYS 37 Ca 0.00 -1.67 -0.26 0.00 0.02 0.00 0.00 55.97 54.06 1avp s LYS 37 Cb 0.00 -1.09 -0.05 0.00 -0.52 0.00 0.00 37.83 36.17 1avp s LYS 37 CO 0.00 0.10 0.79 -0.51 -0.92 0.00 0.00 175.35 174.81 1avp s LEU 38 N -3.36 4.43 0.06 3.17 1.43 -1.26 -4.24 118.68 118.90 1avp s LEU 38 Ca 0.26 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1avp s LEU 38 Cb 0.02 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1avp s LEU 38 CO 0.09 -0.03 -0.07 0.00 0.23 0.00 0.00 176.35 176.57 1avp s ALA 39 N 0.17 0.71 0.07 4.21 0.00 -1.08 -4.65 121.76 121.18 1avp s ALA 39 Ca 0.40 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 1avp s ALA 39 Cb -0.20 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1avp s ALA 39 CO 0.23 -0.15 0.36 0.00 0.00 0.00 0.00 175.76 176.21 1avp s ALA 41 N -2.99 -1.25 -0.30 0.00 0.00 0.23 -1.33 121.76 116.13 1avp s ALA 41 Ca -0.02 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.48 1avp s ALA 41 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1avp s ALA 41 CO -0.06 -0.44 0.09 0.42 0.00 0.00 0.00 175.76 175.77 1avp s ILE 42 N -2.09 4.00 0.04 0.00 1.01 -1.08 -0.44 121.20 122.64 1avp s ILE 42 Ca -0.07 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1avp s ILE 42 Cb -0.01 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1avp s ILE 42 CO 0.01 0.07 -0.06 -0.69 0.00 0.00 0.00 174.94 174.27 1avp s VAL 43 N 1.50 3.66 0.13 2.92 1.01 0.16 -1.12 120.40 128.67 1avp s VAL 43 Ca 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1avp s VAL 43 Cb -0.17 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1avp s VAL 43 CO 0.03 0.29 0.27 0.21 0.00 0.00 0.00 175.10 175.90 1avp s ASN 44 N -1.72 6.35 0.40 3.32 2.47 -0.14 -0.16 114.94 125.46 1avp s ASN 44 Ca 0.19 0.21 0.22 0.00 0.42 0.00 0.00 52.86 53.90 1avp s ASN 44 Cb -0.11 -1.93 0.55 0.00 -1.45 0.00 0.00 41.25 38.31 1avp s ASN 44 CO 0.11 0.07 1.67 0.71 -3.72 0.00 0.00 177.10 175.94 1avp h THR 45 N 1.73 0.45 -1.43 -5.21 1.35 -1.36 -2.39 112.91 106.05 1avp h THR 45 Ca -0.48 -1.37 -0.49 0.00 -0.55 0.00 0.00 66.41 63.52 1avp h THR 45 Cb 1.19 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 69.59 1avp h THR 45 CO 0.70 0.23 -0.35 0.00 -0.25 0.00 0.00 175.52 175.84 1avp s ALA 46 N -3.32 4.14 0.41 6.62 0.00 -1.26 -4.54 121.76 123.81 1avp s ALA 46 Ca 0.03 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 1avp s ALA 46 Cb 0.08 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 1avp s ALA 46 CO 0.67 -0.26 0.78 0.20 0.00 0.00 0.00 175.76 177.14 1avp s GLY 47 N -4.17 1.95 0.56 0.00 0.00 -1.26 -1.05 107.32 103.34 1avp s GLY 47 Ca 0.48 -0.19 0.23 0.00 0.00 0.00 0.00 44.72 45.24 1avp s GLY 47 CO 0.28 0.01 2.20 3.21 0.00 0.00 0.00 173.10 178.79 1avp h ARG 48 N 1.24 0.00 -0.18 2.90 3.08 -1.96 -1.39 114.38 118.07 1avp h ARG 48 Ca -0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1avp h ARG 48 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1avp h ARG 48 CO 0.64 0.00 0.02 1.05 -1.07 0.00 0.00 179.97 180.60 1avp h GLU 49 N 0.00 0.26 0.00 0.04 9.09 -2.05 -2.28 114.58 119.64 1avp h GLU 49 Ca 0.01 -0.03 -0.17 0.00 0.05 0.00 0.00 59.36 59.21 1avp h GLU 49 Cb 0.03 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 1avp h GLU 49 CO -0.00 0.27 -0.83 1.79 0.05 0.00 0.00 179.01 180.29 1avp h THR 50 N 0.26 1.56 0.00 -1.06 1.35 -1.64 -3.48 112.91 109.90 1avp h THR 50 Ca 0.06 -2.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 1avp h THR 50 Cb 0.15 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1avp h THR 50 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1avp n GLY 51 N 0.93 1.65 0.00 5.82 0.00 -0.86 -4.96 105.19 107.76 1avp n GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1avp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avp n GLY 52 N -1.68 2.13 1.14 -0.02 0.00 -1.26 -4.93 105.19 100.57 1avp n GLY 52 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1avp n GLY 52 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1avp n VAL 53 N 2.14 0.00 -4.07 1.61 3.14 -1.26 -5.03 118.33 114.86 1avp n VAL 53 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 1avp n VAL 53 Cb 0.00 -0.94 -0.17 0.00 -1.06 0.00 0.00 33.84 31.67 1avp n VAL 53 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1avp s HIS 54 N -1.92 0.78 -0.03 1.45 5.65 -1.26 -4.99 115.29 114.97 1avp s HIS 54 Ca 0.00 -0.23 -0.17 0.00 0.25 0.00 0.00 55.06 54.90 1avp s HIS 54 Cb 0.00 -0.73 -0.05 0.00 -1.18 0.00 0.00 32.58 30.62 1avp s HIS 54 CO 0.00 -0.24 0.48 -1.58 -0.65 0.00 0.00 174.74 172.75 1avp s TRP 55 N 1.18 3.65 0.07 3.88 0.23 -1.26 -0.89 118.94 125.81 1avp s TRP 55 Ca -0.07 1.02 -0.06 0.00 -2.03 0.00 0.00 56.10 54.96 1avp s TRP 55 Cb -0.14 -2.45 -0.01 0.00 0.03 0.00 0.00 33.47 30.89 1avp s TRP 55 CO -0.01 0.43 0.12 0.00 0.96 0.00 0.00 176.95 178.44 1avp s MET 56 N -0.35 0.76 0.00 4.98 0.23 0.77 -4.61 119.30 121.09 1avp s MET 56 Ca 0.26 -1.04 0.05 0.00 -1.03 0.00 0.00 55.69 53.94 1avp s MET 56 Cb -0.17 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.40 1avp s MET 56 CO 0.13 -0.21 -0.16 0.00 -2.03 0.00 0.00 175.02 172.75 1avp s ALA 57 N -3.84 2.64 0.01 3.16 0.00 -0.50 0.41 121.76 123.64 1avp s ALA 57 Ca 0.05 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.00 1avp s ALA 57 Cb 0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1avp s ALA 57 CO -0.10 0.57 -0.22 -0.06 0.00 0.00 0.00 175.76 175.94 1avp s PHE 58 N -0.84 1.97 -0.00 0.00 0.08 0.42 -1.13 117.98 118.47 1avp s PHE 58 Ca 0.14 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 1avp s PHE 58 Cb -0.11 -1.23 -0.00 0.00 -0.57 0.00 0.00 43.02 41.11 1avp s PHE 58 CO 0.03 0.03 0.08 0.00 -0.10 0.00 0.00 175.22 175.26 1avp s ALA 59 N -0.64 -0.18 -0.09 5.36 0.00 -0.67 -0.60 121.76 124.94 1avp s ALA 59 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1avp s ALA 59 Cb -0.09 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1avp s ALA 59 CO 0.00 -0.15 -0.11 -0.46 0.00 0.00 0.00 175.76 175.05 1avp s TRP 60 N -0.96 1.55 -0.42 0.00 -0.11 0.94 0.00 118.94 119.94 1avp s TRP 60 Ca -0.11 -0.67 -0.04 0.00 1.22 0.00 0.00 56.10 56.50 1avp s TRP 60 Cb -0.06 -1.18 0.11 0.00 -1.50 0.00 0.00 33.47 30.83 1avp s TRP 60 CO 0.00 -0.40 0.22 1.21 -4.62 0.00 0.00 176.95 173.37 1avp s ASN 61 N 1.09 5.35 0.31 5.86 3.84 -0.49 -2.65 114.94 128.25 1avp s ASN 61 Ca -0.06 -1.93 0.01 0.00 0.21 0.00 0.00 52.86 51.09 1avp s ASN 61 Cb -0.14 -1.87 0.49 0.00 -0.55 0.00 0.00 41.25 39.18 1avp s ASN 61 CO -0.02 -0.56 1.85 1.55 -2.79 0.00 0.00 177.10 177.13 1avp h PRO 62 N 8.15 0.68 -0.41 0.43 0.13 -1.86 0.41 132.00 139.54 1avp h PRO 62 Ca -0.16 -0.14 0.06 0.00 -0.87 0.00 0.00 66.00 64.89 1avp h PRO 62 Cb 1.06 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.04 1avp h PRO 62 CO 0.73 0.66 0.11 0.00 -0.23 0.00 0.00 178.00 179.26 1avp h ARG 63 N 0.65 0.24 -0.02 0.86 2.47 -1.92 -1.98 114.38 114.68 1avp h ARG 63 Ca 0.14 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1avp h ARG 63 Cb 0.32 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1avp h ARG 63 CO 0.01 0.16 -0.10 -1.13 0.56 0.00 0.00 179.97 179.47 1avp n SER 64 N -5.06 2.53 -3.34 7.04 3.41 -1.15 -4.96 113.62 112.08 1avp n SER 64 Ca 0.03 -1.80 -0.24 0.00 -0.26 0.00 0.00 58.87 56.60 1avp n SER 64 Cb 0.17 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1avp n SER 64 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1avp n LYS 65 N 0.85 -5.20 -5.08 4.33 3.00 0.14 -4.87 118.16 111.34 1avp n LYS 65 Ca 0.14 0.75 -0.32 0.00 -0.00 0.00 0.00 58.31 58.88 1avp n LYS 65 Cb 0.53 -5.62 -0.15 0.00 0.00 0.00 0.00 35.03 29.79 1avp n LYS 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1avp s THR 66 N -3.17 2.52 -0.24 3.15 -1.32 -0.80 -2.36 115.64 113.43 1avp s THR 66 Ca 0.43 -0.90 -0.09 0.00 -1.21 0.00 0.00 61.69 59.92 1avp s THR 66 Cb -0.21 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 1avp s THR 66 CO 0.54 0.57 0.13 0.00 -2.21 0.00 0.00 174.62 173.65 1avp s TYR 68 N 1.23 3.48 -0.24 0.00 2.02 0.10 -1.05 117.35 122.88 1avp s TYR 68 Ca 0.06 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.22 1avp s TYR 68 Cb -0.14 -2.12 0.05 0.00 -0.40 0.00 0.00 41.96 39.35 1avp s TYR 68 CO 0.05 0.42 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.16 1avp s LEU 69 N -0.06 3.14 -0.36 -1.29 2.96 -0.05 -1.67 118.68 121.35 1avp s LEU 69 Ca 0.11 -1.19 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 1avp s LEU 69 Cb -0.12 -1.55 0.10 0.00 0.50 0.00 0.00 46.19 45.13 1avp s LEU 69 CO 0.01 -0.14 0.09 0.12 -1.32 0.00 0.00 176.35 175.10 1avp s PHE 70 N 1.16 3.72 -0.27 5.38 5.36 -0.29 -2.34 117.98 130.72 1avp s PHE 70 Ca -0.05 -2.89 -0.04 0.00 -0.96 0.00 0.00 56.93 52.99 1avp s PHE 70 Cb -0.18 -2.99 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1avp s PHE 70 CO -0.07 -0.95 0.00 -2.00 -1.46 0.00 0.00 175.22 170.74 1avp s GLU 71 N 0.93 2.98 0.62 10.12 -6.30 -1.26 -1.42 118.70 124.37 1avp s GLU 71 Ca 0.11 -0.90 0.21 0.00 -2.50 0.00 0.00 54.97 51.88 1avp s GLU 71 Cb -0.20 -3.16 0.71 0.00 0.00 0.00 0.00 34.13 31.49 1avp s GLU 71 CO -0.07 -0.41 1.23 -1.00 0.02 0.00 0.00 175.26 175.04 1avp h PRO 72 N 8.11 0.00 0.00 4.30 0.13 -1.91 -0.00 132.00 142.63 1avp h PRO 72 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1avp h PRO 72 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1avp h PRO 72 CO 0.59 0.00 -1.03 1.19 -0.23 0.00 0.00 178.00 178.52 1avp n PHE 73 N -3.08 0.60 -1.61 1.56 3.72 -1.26 -1.31 117.46 116.07 1avp n PHE 73 Ca 0.18 0.17 -0.10 0.00 -0.05 0.00 0.00 57.45 57.66 1avp n PHE 73 Cb 1.42 -0.71 -0.03 0.00 -0.94 0.00 0.00 39.48 39.22 1avp n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1avp n GLY 74 N 1.27 0.69 3.76 1.37 0.00 -0.02 -3.30 105.19 108.97 1avp n GLY 74 Ca 0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1avp n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1avp s PHE 75 N -2.40 2.52 0.83 1.61 0.08 -1.26 -4.32 117.98 115.04 1avp s PHE 75 Ca 0.00 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.34 1avp s PHE 75 Cb 0.00 -3.71 0.09 0.00 -0.57 0.00 0.00 43.02 38.83 1avp s PHE 75 CO 0.00 -2.48 1.09 -1.54 -0.10 0.00 0.00 175.22 172.19 1avp s SER 76 N -0.94 4.03 0.28 1.36 1.04 -1.26 -4.75 113.70 113.46 1avp s SER 76 Ca 0.66 1.64 -0.02 0.00 0.48 0.00 0.00 55.95 58.70 1avp s SER 76 Cb -0.38 -2.33 0.40 0.00 0.10 0.00 0.00 66.02 63.81 1avp s SER 76 CO 0.46 -2.31 1.91 0.44 0.98 0.00 0.00 173.24 174.72 1avp h ASP 77 N -1.32 0.91 -0.17 7.02 3.32 -1.98 0.23 116.42 124.43 1avp h ASP 77 Ca -0.46 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.53 1avp h ASP 77 Cb 1.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1avp h ASP 77 CO 0.53 0.74 0.02 -0.61 -1.72 0.00 0.00 179.24 178.20 1avp h GLN 78 N 1.03 0.08 0.00 3.56 4.15 -1.97 -0.19 115.11 121.77 1avp h GLN 78 Ca 0.26 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 1avp h GLN 78 Cb 0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1avp h GLN 78 CO -0.04 0.05 -0.28 0.00 -1.93 0.00 0.00 178.83 176.64 1avp h ARG 79 N 0.09 0.00 -0.12 1.69 3.08 -1.68 -1.95 114.38 115.49 1avp h ARG 79 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1avp h ARG 79 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1avp h ARG 79 CO -0.11 0.28 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.97 1avp h LEU 80 N 0.00 0.23 -0.35 3.04 3.38 0.16 0.71 115.31 122.49 1avp h LEU 80 Ca -0.00 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1avp h LEU 80 Cb 0.89 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1avp h LEU 80 CO 0.04 0.54 0.21 0.50 0.09 0.00 0.00 178.44 179.81 1avp h LYS 81 N -0.07 0.42 0.27 1.13 3.64 -0.92 -0.35 116.57 120.68 1avp h LYS 81 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1avp h LYS 81 Cb 0.43 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1avp h LYS 81 CO 0.01 0.28 -0.13 0.37 -2.27 0.00 0.00 179.45 177.71 1avp h GLN 82 N 0.43 -0.34 -0.49 1.90 4.15 -1.24 0.23 115.11 119.74 1avp h GLN 82 Ca 0.13 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.62 1avp h GLN 82 Cb -0.02 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1avp h GLN 82 CO -0.05 -0.23 0.24 0.28 -1.93 0.00 0.00 178.83 177.14 1avp h VAL 83 N -0.45 0.95 -0.01 2.39 2.07 -0.92 -3.31 116.25 116.96 1avp h VAL 83 Ca -0.04 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1avp h VAL 83 Cb 0.27 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1avp h VAL 83 CO 0.06 0.09 -0.00 -1.22 0.02 0.00 0.00 177.57 176.51 1avp n TYR 84 N -4.90 0.00 -3.89 1.57 4.01 -0.18 -5.00 117.16 108.77 1avp n TYR 84 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.48 1avp n TYR 84 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 1avp n TYR 84 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1avp n GLN 85 N 0.48 -5.52 -4.38 -0.72 3.00 0.82 -4.82 117.38 106.24 1avp n GLN 85 Ca 0.05 0.60 -0.31 0.00 -0.01 0.00 0.00 57.00 57.34 1avp n GLN 85 Cb 0.22 -5.50 -0.10 0.00 0.00 0.00 0.00 30.24 24.86 1avp n GLN 85 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1avp s PHE 86 N -3.29 2.79 -0.10 1.08 5.36 -1.20 -4.96 117.98 117.66 1avp s PHE 86 Ca 0.66 -0.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.45 1avp s PHE 86 Cb -0.33 -1.51 0.04 0.00 -0.34 0.00 0.00 43.02 40.87 1avp s PHE 86 CO 0.82 0.38 0.24 -1.21 -1.46 0.00 0.00 175.22 173.99 1avp s GLU 87 N -1.79 0.23 -0.23 10.12 2.02 -1.26 -3.49 118.70 124.31 1avp s GLU 87 Ca 0.19 0.45 0.12 0.00 0.02 0.00 0.00 54.97 55.75 1avp s GLU 87 Cb -0.11 -0.02 0.44 0.00 0.10 0.00 0.00 34.13 34.54 1avp s GLU 87 CO 0.10 -0.11 1.32 2.48 0.02 0.00 0.00 175.26 179.07 1avp n TYR 88 N 3.73 0.48 -0.02 1.61 4.11 -1.26 -4.68 117.16 121.12 1avp n TYR 88 Ca -0.20 -1.41 -0.13 0.00 -0.00 0.00 0.00 57.90 56.16 1avp n TYR 88 Cb 0.55 -0.33 -0.08 0.00 -0.00 0.00 0.00 39.34 39.48 1avp n TYR 88 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1avp h GLU 89 N 0.92 0.12 -0.11 -3.48 4.57 -2.00 -2.83 114.58 111.77 1avp h GLU 89 Ca 0.08 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1avp h GLU 89 Cb 1.28 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1avp h GLU 89 CO 0.16 0.51 -0.54 0.77 -1.18 0.00 0.00 179.01 178.74 1avp h SER 90 N -0.27 0.36 0.68 1.04 0.02 -1.97 -2.91 113.55 110.49 1avp h SER 90 Ca 0.01 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1avp h SER 90 Cb 0.48 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1avp h SER 90 CO 0.01 0.83 -0.34 0.17 -1.14 0.00 0.00 176.83 176.36 1avp h LEU 91 N 0.25 0.00 -0.07 5.07 8.10 -1.75 -1.36 115.31 125.55 1avp h LEU 91 Ca 0.01 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.95 1avp h LEU 91 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.25 1avp h LEU 91 CO 0.09 0.34 -0.15 -0.07 -4.11 0.00 0.00 178.44 174.53 1avp h LEU 92 N 0.00 0.25 0.30 0.17 3.38 -1.32 -1.47 115.31 116.61 1avp h LEU 92 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1avp h LEU 92 Cb 0.77 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1avp h LEU 92 CO 0.04 0.78 -0.36 -0.09 0.09 0.00 0.00 178.44 178.91 1avp h ARG 93 N -0.28 -0.68 -0.40 1.13 2.43 -1.35 -0.10 114.38 115.14 1avp h ARG 93 Ca -0.00 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1avp h ARG 93 Cb 0.75 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.38 1avp h ARG 93 CO 0.03 -0.46 -0.11 0.00 -1.51 0.00 0.00 179.97 177.93 1avp h ARG 94 N -0.71 -0.02 -0.87 0.20 3.08 -1.32 -0.81 114.38 113.93 1avp h ARG 94 Ca -0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1avp h ARG 94 Cb 0.66 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1avp h ARG 94 CO -0.10 -0.01 0.54 0.77 -1.07 0.00 0.00 179.97 180.10 1avp h SER 95 N -0.02 0.85 0.13 7.04 0.02 -0.76 0.22 113.55 121.04 1avp h SER 95 Ca 0.19 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1avp h SER 95 Cb 0.31 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1avp h SER 95 CO -0.42 0.54 -0.06 0.00 -1.14 0.00 0.00 176.83 175.75 1avp h ALA 96 N 1.41 -0.17 -0.28 3.77 0.00 -0.21 -0.50 119.26 123.27 1avp h ALA 96 Ca 0.38 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1avp h ALA 96 Cb 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1avp h ALA 96 CO -0.18 -0.45 0.00 0.82 0.00 0.00 0.00 179.25 179.45 1avp h ILE 97 N -0.47 0.80 0.00 0.00 5.03 -0.75 0.12 117.51 122.23 1avp h ILE 97 Ca -0.02 -0.03 -0.11 0.00 -0.12 0.00 0.00 64.86 64.58 1avp h ILE 97 Cb 0.38 0.70 -0.02 0.00 -3.03 0.00 0.00 36.82 34.85 1avp h ILE 97 CO 0.03 0.02 -0.53 0.00 -0.68 0.00 0.00 178.15 176.98 1avp h ALA 98 N 1.24 0.70 0.00 1.87 0.00 -0.61 -3.38 119.26 119.09 1avp h ALA 98 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1avp h ALA 98 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1avp h ALA 98 CO -0.23 0.67 0.00 0.43 0.00 0.00 0.00 179.25 180.12 1avp n SER 99 N -3.31 0.95 -3.98 0.00 7.64 -0.20 -4.51 113.62 110.21 1avp n SER 99 Ca 0.01 -0.98 -0.24 0.00 1.01 0.00 0.00 58.87 58.68 1avp n SER 99 Cb 0.71 0.04 -0.17 0.00 -1.01 0.00 0.00 64.21 63.79 1avp n SER 99 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1avp s SER 100 N -0.04 1.63 0.17 6.43 0.15 0.40 -4.27 113.70 118.17 1avp s SER 100 Ca 0.00 -0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.22 1avp s SER 100 Cb 0.00 -0.74 0.12 0.00 -1.71 0.00 0.00 66.02 63.69 1avp s SER 100 CO 0.00 -0.00 1.65 -0.65 1.20 0.00 0.00 173.24 175.44 1avp h PRO 101 N 7.15 -0.04 -0.42 5.44 0.11 -1.91 -1.13 132.00 141.20 1avp h PRO 101 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1avp h PRO 101 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1avp h PRO 101 CO 0.47 -0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.83 1avp n ASP 102 N -5.35 1.68 -2.04 -2.05 5.75 -1.26 -4.90 116.55 108.37 1avp n ASP 102 Ca 0.03 -2.09 -0.17 0.00 -0.01 0.00 0.00 54.79 52.55 1avp n ASP 102 Cb 0.26 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 1avp n ASP 102 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1avp n ARG 103 N 0.22 -1.69 -4.35 0.11 1.74 -0.43 -4.97 116.66 107.29 1avp n ARG 103 Ca 0.09 0.92 -0.25 0.00 -0.77 0.00 0.00 57.85 57.83 1avp n ARG 103 Cb 0.31 -5.43 -0.09 0.00 -1.02 0.00 0.00 32.46 26.24 1avp n ARG 103 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1avp s ILE 105 N -2.53 0.00 -0.20 0.00 2.07 -1.26 -4.75 121.20 114.53 1avp s ILE 105 Ca 0.35 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.56 1avp s ILE 105 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 1avp s ILE 105 CO 0.19 0.00 -0.09 0.28 -1.91 0.00 0.00 174.94 173.42 1avp s THR 106 N -1.42 3.09 -0.12 4.00 -1.32 -0.99 -5.01 115.64 113.87 1avp s THR 106 Ca -0.08 -0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 59.65 1avp s THR 106 Cb -0.00 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.57 1avp s THR 106 CO 0.06 0.46 0.38 -0.22 -2.21 0.00 0.00 174.62 173.09 1avp s LEU 107 N 1.21 4.29 -0.21 9.08 2.96 -1.26 -0.23 118.68 134.52 1avp s LEU 107 Ca 0.02 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1avp s LEU 107 Cb -0.14 -2.52 0.06 0.00 0.50 0.00 0.00 46.19 44.08 1avp s LEU 107 CO -0.03 0.10 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.37 1avp s GLU 108 N 0.28 1.30 0.08 1.98 2.12 -0.22 -4.96 118.70 119.28 1avp s GLU 108 Ca 0.21 -0.74 0.09 0.00 0.36 0.00 0.00 54.97 54.89 1avp s GLU 108 Cb -0.14 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1avp s GLU 108 CO 0.08 -0.58 -0.23 -1.59 -0.54 0.00 0.00 175.26 172.39 1avp s LYS 109 N 1.57 1.35 0.29 4.30 -2.85 -1.26 -0.87 119.74 122.27 1avp s LYS 109 Ca -0.03 -1.13 -0.29 0.00 -1.00 0.00 0.00 55.97 53.52 1avp s LYS 109 Cb -0.18 -1.60 -0.10 0.00 -2.06 0.00 0.00 37.83 33.89 1avp s LYS 109 CO -0.07 0.39 1.33 -1.54 0.10 0.00 0.00 175.35 175.57 1avp s SER 110 N -1.64 6.77 -0.13 0.03 1.04 -0.99 -4.94 113.70 113.84 1avp s SER 110 Ca 0.09 2.64 0.15 0.00 0.48 0.00 0.00 55.95 59.31 1avp s SER 110 Cb -0.10 -2.64 0.45 0.00 0.10 0.00 0.00 66.02 63.84 1avp s SER 110 CO 0.04 -0.57 1.35 0.35 0.98 0.00 0.00 173.24 175.39 1avp n THR 111 N 1.40 1.97 -4.18 2.02 -2.24 -1.26 -4.57 114.28 107.42 1avp n THR 111 Ca 0.02 -1.72 -0.12 0.00 -2.27 0.00 0.00 64.05 59.96 1avp n THR 111 Cb 0.42 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 1avp n THR 111 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1avp s GLN 112 N -2.43 0.87 0.04 -0.78 -0.21 -1.26 -4.21 119.66 111.69 1avp s GLN 112 Ca 0.36 -1.30 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 1avp s GLN 112 Cb 0.28 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.87 1avp s GLN 112 CO 0.09 0.03 0.27 -1.12 -2.12 0.00 0.00 175.29 172.44 1avp s SER 113 N -2.88 6.45 0.00 5.90 0.01 0.39 -3.16 113.70 120.41 1avp s SER 113 Ca 0.11 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1avp s SER 113 Cb 0.02 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1avp s SER 113 CO -0.02 0.20 0.00 1.33 0.41 0.00 0.00 173.24 175.16 1avp n VAL 114 N 0.73 0.00 -4.50 3.43 0.24 -0.43 -0.47 118.33 117.33 1avp n VAL 114 Ca -0.08 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.34 61.50 1avp n VAL 114 Cb 0.52 0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 33.72 1avp n VAL 114 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1avp s GLN 115 N -0.99 2.65 0.50 7.34 0.74 -1.21 -4.75 119.66 123.95 1avp s GLN 115 Ca 0.00 -0.64 -0.21 0.00 0.05 0.00 0.00 55.36 54.56 1avp s GLN 115 Cb 0.00 -2.55 -0.07 0.00 1.10 0.00 0.00 33.01 31.49 1avp s GLN 115 CO 0.00 0.63 1.11 0.20 -0.55 0.00 0.00 175.29 176.68 1avp s GLY 116 N -1.21 2.64 0.54 2.59 0.00 -1.26 -4.89 107.32 105.74 1avp s GLY 116 Ca 0.16 0.79 0.25 0.00 0.00 0.00 0.00 44.72 45.92 1avp s GLY 116 CO 0.06 1.16 2.03 -0.56 0.00 0.00 0.00 173.10 175.79 1avp h PRO 117 N 1.54 0.00 -0.14 2.90 0.13 -1.90 -1.32 132.00 133.21 1avp h PRO 117 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1avp h PRO 117 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1avp h PRO 117 CO 0.58 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 1avp n ASN 118 N -4.26 2.78 -4.79 1.44 3.02 -1.26 -5.00 115.26 107.19 1avp n ASN 118 Ca 0.07 -1.83 -0.35 0.00 -0.03 0.00 0.00 54.58 52.44 1avp n ASN 118 Cb 0.50 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 1avp n ASN 118 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1avp s SER 119 N -1.44 6.61 -0.29 6.41 0.15 -0.50 -1.51 113.70 123.12 1avp s SER 119 Ca 0.26 1.93 0.08 0.00 0.70 0.00 0.00 55.95 58.91 1avp s SER 119 Cb 0.17 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 62.36 1avp s SER 119 CO 0.24 -0.60 1.28 0.00 1.20 0.00 0.00 173.24 175.37 1avp n ALA 120 N -0.55 4.70 -0.65 5.45 0.00 -1.11 -4.73 120.51 123.61 1avp n ALA 120 Ca 0.07 -3.58 0.08 0.00 0.00 0.00 0.00 53.44 50.01 1avp n ALA 120 Cb 0.52 -0.47 0.31 0.00 0.00 0.00 0.00 19.45 19.81 1avp n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1avp n ALA 121 N -0.87 2.99 -0.08 0.00 0.00 -1.23 -4.50 120.51 116.82 1avp n ALA 121 Ca 0.38 -1.70 -0.06 0.00 0.00 0.00 0.00 53.44 52.06 1avp n ALA 121 Cb 0.89 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 1avp n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1avp h GLY 123 N -0.11 1.48 1.61 0.00 0.00 -1.85 -2.08 103.07 102.12 1avp h GLY 123 Ca 0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1avp h GLY 123 CO -0.39 0.28 -0.26 1.41 0.00 0.00 0.00 176.54 177.57 1avp h LEU 124 N 1.08 0.45 -1.20 3.11 3.38 -1.78 -2.53 115.31 117.82 1avp h LEU 124 Ca 0.43 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1avp h LEU 124 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1avp h LEU 124 CO -0.19 0.71 -0.37 -0.26 0.09 0.00 0.00 178.44 178.41 1avp h PHE 125 N 0.40 0.00 -0.37 1.13 0.04 -0.81 -2.59 116.94 114.74 1avp h PHE 125 Ca 0.06 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 1avp h PHE 125 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 1avp h PHE 125 CO 0.02 0.37 -0.41 0.00 -0.60 0.00 0.00 178.31 177.69 1avp h MET 128 N 0.83 1.15 -0.32 0.00 -1.53 -1.37 -1.41 114.93 112.28 1avp h MET 128 Ca 0.19 -0.15 -0.15 0.00 -3.44 0.00 0.00 59.70 56.15 1avp h MET 128 Cb 0.31 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.13 1avp h MET 128 CO -0.00 0.86 -0.41 0.35 0.14 0.00 0.00 176.91 177.85 1avp h PHE 129 N 1.15 0.96 -0.14 1.39 3.57 -1.15 -2.75 116.94 119.97 1avp h PHE 129 Ca 0.29 -0.29 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1avp h PHE 129 Cb 0.06 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1avp h PHE 129 CO 0.01 1.08 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.93 1avp h LEU 130 N 0.65 0.22 -0.48 0.59 3.38 -0.62 0.17 115.31 119.23 1avp h LEU 130 Ca 0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1avp h LEU 130 Cb 0.98 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1avp h LEU 130 CO 0.09 0.41 0.10 -0.74 0.09 0.00 0.00 178.44 178.39 1avp h HIS 131 N 0.22 0.82 -0.78 1.13 2.76 -1.16 0.07 115.15 118.20 1avp h HIS 131 Ca 0.04 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 1avp h HIS 131 Cb 0.42 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1avp h HIS 131 CO 0.01 0.75 0.33 0.00 -1.30 0.00 0.00 177.93 177.72 1avp h ALA 132 N 0.97 1.11 -0.16 5.26 0.00 -0.95 -2.38 119.26 123.12 1avp h ALA 132 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1avp h ALA 132 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1avp h ALA 132 CO 0.00 0.64 -0.05 0.35 0.00 0.00 0.00 179.25 180.20 1avp h PHE 133 N 1.13 0.35 -0.72 0.00 3.57 -0.36 0.23 116.94 121.14 1avp h PHE 133 Ca 0.26 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1avp h PHE 133 Cb 0.18 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1avp h PHE 133 CO 0.02 0.60 0.48 0.00 -2.23 0.00 0.00 178.31 177.17 1avp h ALA 134 N 0.70 1.52 0.00 2.41 0.00 -0.90 -1.00 119.26 121.99 1avp h ALA 134 Ca 0.04 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1avp h ALA 134 Cb 0.49 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1avp h ALA 134 CO 0.02 0.43 -1.35 -0.91 0.00 0.00 0.00 179.25 177.44 1avp h ASN 135 N 0.94 0.00 -1.74 0.00 2.35 -1.36 -3.41 115.58 112.36 1avp h ASN 135 Ca 0.27 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.53 1avp h ASN 135 Cb -0.05 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 37.96 1avp h ASN 135 CO -0.07 0.68 -1.05 0.79 -1.65 0.00 0.00 177.43 176.13 1avp n TRP 136 N -2.98 -0.57 0.05 1.19 8.01 0.80 -4.98 117.44 118.95 1avp n TRP 136 Ca -0.09 -3.42 0.03 0.00 -1.31 0.00 0.00 57.50 52.71 1avp n TRP 136 Cb 0.88 -0.12 0.16 0.00 -2.01 0.00 0.00 31.31 30.22 1avp n TRP 136 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1avp n PRO 137 N 1.03 0.04 0.01 -0.99 -0.04 -0.40 -1.61 135.00 133.04 1avp n PRO 137 Ca 0.21 0.52 0.07 0.00 -0.04 0.00 0.00 63.50 64.26 1avp n PRO 137 Cb 0.59 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 1avp n PRO 137 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1avp n GLN 138 N -1.70 0.65 -3.08 0.54 6.02 -1.26 -4.67 117.38 113.88 1avp n GLN 138 Ca -0.00 -0.06 -0.17 0.00 -0.01 0.00 0.00 57.00 56.76 1avp n GLN 138 Cb 0.04 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.66 1avp n GLN 138 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1avp n THR 139 N -2.48 -0.21 0.13 5.09 5.66 -0.64 -4.99 114.28 116.85 1avp n THR 139 Ca -0.07 -3.79 0.01 0.00 -3.05 0.00 0.00 64.05 57.15 1avp n THR 139 Cb 0.66 -0.10 0.05 0.00 -1.55 0.00 0.00 70.33 69.40 1avp n THR 139 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1avp h PRO 140 N 3.18 0.00 -0.51 1.09 0.13 -1.73 -3.36 132.00 130.80 1avp h PRO 140 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.06 1avp h PRO 140 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1avp h PRO 140 CO 0.42 0.58 -0.13 0.52 -0.23 0.00 0.00 178.00 179.15 1avp h MET 141 N 0.00 0.99 -3.20 0.86 2.86 -1.94 -3.44 114.93 111.06 1avp h MET 141 Ca -0.01 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.18 1avp h MET 141 Cb 1.37 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1avp h MET 141 CO 0.07 1.06 0.20 0.34 1.06 0.00 0.00 176.91 179.64 1avp s ASP 142 N -6.63 0.20 -1.17 1.22 2.15 -1.26 -4.88 116.67 106.31 1avp s ASP 142 Ca -0.12 -1.25 -0.05 0.00 0.43 0.00 0.00 52.55 51.56 1avp s ASP 142 Cb 0.12 0.83 0.01 0.00 -0.30 0.00 0.00 42.92 43.58 1avp s ASP 142 CO 0.86 -1.65 1.01 1.41 -0.17 0.00 0.00 175.17 176.62 1avp n HIS 143 N -0.55 -2.37 -3.65 -5.34 8.25 -1.26 -4.88 115.22 105.42 1avp n HIS 143 Ca -0.07 0.89 -0.15 0.00 -0.26 0.00 0.00 57.72 58.13 1avp n HIS 143 Cb 0.60 -4.68 -0.07 0.00 1.12 0.00 0.00 29.99 26.96 1avp n HIS 143 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1avp s ASN 144 N -3.63 -0.38 0.32 0.41 4.22 -1.26 -5.02 114.94 109.60 1avp s ASN 144 Ca 0.34 0.30 0.07 0.00 -2.14 0.00 0.00 52.86 51.43 1avp s ASN 144 Cb -0.15 0.42 0.92 0.00 1.28 0.00 0.00 41.25 43.72 1avp s ASN 144 CO 0.65 -0.55 1.59 -0.65 -2.04 0.00 0.00 177.10 176.10 1avp h PRO 145 N 3.38 0.04 0.23 3.55 0.11 -1.97 -1.16 132.00 136.19 1avp h PRO 145 Ca -0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1avp h PRO 145 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1avp h PRO 145 CO 0.40 0.03 -0.11 1.15 -0.21 0.00 0.00 178.00 179.26 1avp h THR 146 N 0.04 0.71 0.00 -1.15 2.02 -1.97 -3.33 112.91 109.23 1avp h THR 146 Ca 0.67 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1avp h THR 146 Cb 1.51 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1avp h THR 146 CO -0.84 0.17 0.00 0.23 0.37 0.00 0.00 175.52 175.45 1avp n MET 147 N -5.00 0.23 0.08 6.66 2.81 -1.10 -2.35 117.12 118.45 1avp n MET 147 Ca -0.08 0.33 0.11 0.00 -1.81 0.00 0.00 57.70 56.25 1avp n MET 147 Cb 0.26 -1.85 0.44 0.00 -0.71 0.00 0.00 33.22 31.36 1avp n MET 147 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1avp n ASN 148 N -2.27 0.43 0.24 7.83 3.02 -0.46 -2.60 115.26 121.46 1avp n ASN 148 Ca 0.04 0.59 0.14 0.00 -0.03 0.00 0.00 54.58 55.31 1avp n ASN 148 Cb 0.32 -0.69 0.44 0.00 -0.61 0.00 0.00 39.78 39.25 1avp n ASN 148 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1avp h LEU 149 N 0.00 0.00 -9.13 3.41 3.38 -1.61 -3.45 115.31 107.91 1avp h LEU 149 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1avp h LEU 149 Cb 0.40 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.00 1avp h LEU 149 CO 0.00 0.05 -0.76 0.27 0.09 0.00 0.00 178.44 178.09 1avp s ILE 150 N -3.46 2.31 -0.09 1.22 -4.36 -1.07 -4.87 121.20 110.87 1avp s ILE 150 Ca 0.03 -2.33 0.04 0.00 -0.26 0.00 0.00 60.65 58.14 1avp s ILE 150 Cb 0.08 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.56 1avp s ILE 150 CO 0.61 -0.41 -0.24 -0.89 0.24 0.00 0.00 174.94 174.25 1avp s THR 151 N -2.51 2.11 0.27 8.37 2.01 -1.26 -4.99 115.64 119.64 1avp s THR 151 Ca 0.27 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 1avp s THR 151 Cb -0.04 -1.80 -0.09 0.00 0.01 0.00 0.00 72.50 70.58 1avp s THR 151 CO 0.13 0.56 0.77 -0.83 -0.69 0.00 0.00 174.62 174.56 1avp s GLY 152 N 0.25 2.55 -0.05 4.40 0.00 -1.26 -4.62 107.32 108.59 1avp s GLY 152 Ca -0.16 0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1avp s GLY 152 CO 0.08 0.52 -0.16 0.14 0.00 0.00 0.00 173.10 173.67 1avp s VAL 153 N -1.69 1.37 0.14 1.40 1.01 0.38 -4.89 120.40 118.12 1avp s VAL 153 Ca 0.48 -0.67 -0.34 0.00 0.00 0.00 0.00 61.98 61.45 1avp s VAL 153 Cb -0.15 -1.19 -0.16 0.00 0.00 0.00 0.00 36.38 34.89 1avp s VAL 153 CO 0.20 0.40 1.25 -2.65 0.00 0.00 0.00 175.10 174.30 1avp n PRO 154 N 3.25 1.23 -0.22 2.72 -0.02 -1.26 -0.47 135.00 140.23 1avp n PRO 154 Ca -0.19 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1avp n PRO 154 Cb 0.53 -2.01 0.40 0.00 -0.02 0.00 0.00 33.50 32.41 1avp n PRO 154 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1avp h ASN 155 N 3.91 0.59 -0.11 2.55 -1.24 -1.85 -0.27 115.58 119.16 1avp h ASN 155 Ca -0.45 0.03 0.03 0.00 0.71 0.00 0.00 56.30 56.62 1avp h ASN 155 Cb 1.33 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.29 1avp h ASN 155 CO 0.74 0.32 0.16 0.77 -1.29 0.00 0.00 177.43 178.13 1avp h SER 156 N 0.64 0.00 -0.61 1.15 4.64 -1.94 -1.51 113.55 115.91 1avp h SER 156 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1avp h SER 156 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1avp h SER 156 CO -0.16 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.03 1avp n MET 157 N -3.60 2.54 -0.28 4.77 2.81 -0.11 -4.61 117.12 118.64 1avp n MET 157 Ca -0.00 -2.24 0.05 0.00 -1.81 0.00 0.00 57.70 53.70 1avp n MET 157 Cb 0.26 -1.52 0.20 0.00 -0.71 0.00 0.00 33.22 31.45 1avp n MET 157 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1avp h LEU 158 N 3.58 0.47 -1.27 4.03 5.85 -1.35 -1.86 115.31 124.76 1avp h LEU 158 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1avp h LEU 158 Cb 0.88 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1avp h LEU 158 CO 0.03 0.21 0.00 0.59 -0.34 0.00 0.00 178.44 178.93 1avp n ASN 159 N -4.89 1.93 -4.65 1.25 3.02 -1.26 -4.56 115.26 106.10 1avp n ASN 159 Ca 0.15 -1.70 -0.43 0.00 -0.03 0.00 0.00 54.58 52.58 1avp n ASN 159 Cb 0.39 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1avp n ASN 159 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1avp s SER 160 N -1.76 6.67 -0.93 6.41 0.15 -0.70 -4.88 113.70 118.67 1avp s SER 160 Ca 0.35 1.96 -0.24 0.00 0.70 0.00 0.00 55.95 58.72 1avp s SER 160 Cb 0.20 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1avp s SER 160 CO 0.30 -0.96 1.60 -2.16 1.20 0.00 0.00 173.24 173.21 1avp s PRO 161 N 4.05 3.19 0.00 5.44 0.04 -1.26 -2.20 135.00 144.26 1avp s PRO 161 Ca 0.68 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1avp s PRO 161 Cb -0.29 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1avp s PRO 161 CO 0.26 -2.57 0.00 0.94 0.04 0.00 0.00 177.00 175.67 1avp n GLN 162 N 8.95 0.00 0.00 4.56 -0.06 -1.26 -4.90 117.38 124.67 1avp n GLN 162 Ca 0.31 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.42 1avp n GLN 162 Cb 0.50 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 26.77 1avp n GLN 162 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1avp n VAL 163 N 0.00 0.00 -0.32 1.69 0.24 -0.94 -4.40 118.33 114.61 1avp n VAL 163 Ca 0.00 -0.24 0.07 0.00 -2.04 0.00 0.00 64.34 62.13 1avp n VAL 163 Cb 0.00 1.07 0.23 0.00 -1.47 0.00 0.00 33.84 33.67 1avp n VAL 163 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1avp h GLN 164 N 2.26 0.78 0.00 7.34 1.08 -1.89 0.11 115.11 124.79 1avp h GLN 164 Ca 0.00 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1avp h GLN 164 Cb 0.71 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1avp h GLN 164 CO 0.00 0.52 -0.18 -1.00 -0.95 0.00 0.00 178.83 177.22 1avp h PRO 165 N 0.80 0.00 -0.41 1.46 0.13 -1.93 -0.85 132.00 131.21 1avp h PRO 165 Ca 0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.51 1avp h PRO 165 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1avp h PRO 165 CO -0.30 0.18 -0.11 1.15 -0.23 0.00 0.00 178.00 178.69 1avp h THR 166 N 0.00 1.27 -0.12 1.56 2.02 -1.10 -2.18 112.91 114.37 1avp h THR 166 Ca -0.00 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 1avp h THR 166 Cb 0.32 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1avp h THR 166 CO 0.02 0.41 -0.34 -0.07 0.37 0.00 0.00 175.52 175.91 1avp h LEU 167 N 0.62 0.23 -0.07 2.58 3.38 -0.77 -0.90 115.31 120.38 1avp h LEU 167 Ca 0.10 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1avp h LEU 167 Cb 0.64 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1avp h LEU 167 CO 0.04 0.57 -1.00 -0.09 0.09 0.00 0.00 178.44 178.04 1avp h ARG 168 N 0.20 0.59 -0.23 1.13 2.43 -1.13 -3.01 114.38 114.37 1avp h ARG 168 Ca 0.03 -0.64 0.01 0.00 -0.81 0.00 0.00 59.98 58.57 1avp h ARG 168 Cb 0.70 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1avp h ARG 168 CO 0.05 1.24 0.14 -0.09 -1.51 0.00 0.00 179.97 179.80 1avp h ARG 169 N 0.33 0.27 -0.81 0.20 2.43 -1.23 -0.55 114.38 115.04 1avp h ARG 169 Ca -0.11 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.23 1avp h ARG 169 Cb 1.65 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 31.02 1avp h ARG 169 CO 0.19 0.18 0.26 -0.91 -1.51 0.00 0.00 179.97 178.18 1avp h ASN 170 N 0.28 0.14 0.42 -3.80 2.35 -1.16 0.14 115.58 113.96 1avp h ASN 170 Ca 0.09 0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 1avp h ASN 170 Cb -0.01 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1avp h ASN 170 CO -0.04 -0.02 -0.57 -0.61 -1.65 0.00 0.00 177.43 174.54 1avp h GLN 171 N 0.33 0.16 -0.30 0.81 4.15 -1.19 -0.40 115.11 118.66 1avp h GLN 171 Ca 0.47 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.77 1avp h GLN 171 Cb 0.84 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1avp h GLN 171 CO -0.52 0.69 0.09 0.93 -1.93 0.00 0.00 178.83 178.09 1avp h GLU 172 N 0.12 0.46 -0.71 1.69 5.08 0.74 -1.72 114.58 120.25 1avp h GLU 172 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1avp h GLU 172 Cb 1.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1avp h GLU 172 CO 0.08 0.51 0.34 1.96 -1.00 0.00 0.00 179.01 180.91 1avp h GLN 173 N 0.32 1.00 0.79 2.33 1.08 -0.79 -1.93 115.11 117.90 1avp h GLN 173 Ca 0.10 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1avp h GLN 173 Cb 0.24 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1avp h GLN 173 CO -0.00 0.77 -0.48 1.25 -0.95 0.00 0.00 178.83 179.42 1avp h LEU 174 N 1.00 -1.20 -0.63 1.46 5.85 -0.78 -0.92 115.31 120.08 1avp h LEU 174 Ca 0.25 0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.16 1avp h LEU 174 Cb 0.10 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1avp h LEU 174 CO -0.03 -0.74 0.09 1.88 -0.34 0.00 0.00 178.44 179.30 1avp h TYR 175 N -1.18 0.13 -0.13 1.25 0.05 -1.08 -1.39 116.97 114.62 1avp h TYR 175 Ca -0.10 0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 1avp h TYR 175 Cb 0.95 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1avp h TYR 175 CO -0.10 -0.09 -0.38 0.66 -1.05 0.00 0.00 178.16 177.20 1avp h SER 176 N 0.21 0.28 -0.38 3.88 4.64 -1.24 0.35 113.55 121.29 1avp h SER 176 Ca 0.34 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1avp h SER 176 Cb 0.54 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1avp h SER 176 CO -0.47 0.64 -0.01 0.15 -0.87 0.00 0.00 176.83 176.27 1avp h PHE 177 N 0.23 0.75 -0.29 4.77 3.57 -0.19 -0.11 116.94 125.68 1avp h PHE 177 Ca 0.02 -0.13 -0.12 0.00 3.53 0.00 0.00 57.97 61.27 1avp h PHE 177 Cb 0.78 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1avp h PHE 177 CO 0.02 0.78 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.49 1avp h LEU 178 N 0.50 0.63 -0.69 0.59 3.38 -1.11 -1.98 115.31 116.64 1avp h LEU 178 Ca 0.11 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1avp h LEU 178 Cb 0.49 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1avp h LEU 178 CO 0.02 0.91 0.42 -0.33 0.09 0.00 0.00 178.44 179.55 1avp h GLU 179 N 0.52 0.80 -0.28 1.13 4.39 -0.53 0.57 114.58 121.18 1avp h GLU 179 Ca 0.06 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1avp h GLU 179 Cb 0.80 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1avp h GLU 179 CO 0.07 0.53 -0.31 0.00 -1.16 0.00 0.00 179.01 178.13 1avp h ARG 180 N 0.82 0.70 -0.02 2.33 3.08 -0.79 -3.36 114.38 117.13 1avp h ARG 180 Ca 0.28 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1avp h ARG 180 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1avp h ARG 180 CO -0.12 1.00 -0.07 0.72 -1.07 0.00 0.00 179.97 180.43 1avp n HIS 181 N -4.25 0.00 -3.86 3.04 8.25 -0.76 -4.90 115.22 112.73 1avp n HIS 181 Ca -0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.12 1avp n HIS 181 Cb 0.48 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 1avp n HIS 181 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1avp s SER 182 N -1.71 4.21 0.30 0.41 0.15 0.20 -4.44 113.70 112.82 1avp s SER 182 Ca 0.21 -1.72 0.02 0.00 0.70 0.00 0.00 55.95 55.16 1avp s SER 182 Cb 0.16 -1.15 0.58 0.00 -1.71 0.00 0.00 66.02 63.89 1avp s SER 182 CO 0.28 -0.38 1.86 -0.65 1.20 0.00 0.00 173.24 175.56 1avp h PRO 183 N 7.92 0.95 -0.62 5.44 0.11 -1.87 0.45 132.00 144.36 1avp h PRO 183 Ca -0.11 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 1avp h PRO 183 Cb 1.03 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1avp h PRO 183 CO 0.48 0.63 0.30 -0.92 -0.21 0.00 0.00 178.00 178.27 1avp h TYR 184 N 0.98 0.90 0.06 0.65 5.03 -1.93 -0.93 116.97 121.74 1avp h TYR 184 Ca 0.46 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.72 1avp h TYR 184 Cb 0.43 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1avp h TYR 184 CO -0.00 0.69 -0.03 0.35 -1.32 0.00 0.00 178.16 177.85 1avp h PHE 185 N 0.86 -0.08 -0.43 -3.82 3.57 -1.36 -2.94 116.94 112.74 1avp h PHE 185 Ca 0.21 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.80 1avp h PHE 185 Cb 0.13 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.80 1avp h PHE 185 CO 0.00 0.22 -0.26 0.00 -2.23 0.00 0.00 178.31 176.04 1avp h ARG 186 N -0.37 -0.17 -0.05 1.11 3.08 -0.85 0.55 114.38 117.68 1avp h ARG 186 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1avp h ARG 186 Cb 0.33 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1avp h ARG 186 CO 0.01 -0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 177.67 1avp n SER 187 N -5.41 0.05 -0.02 7.04 3.41 -0.37 -2.79 113.62 115.54 1avp n SER 187 Ca 0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1avp n SER 187 Cb 0.32 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1avp n SER 187 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1avp n HIS 188 N -0.45 0.00 -0.00 7.33 8.25 0.48 -5.01 115.22 125.81 1avp n HIS 188 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1avp n HIS 188 Cb 0.01 0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 1avp n HIS 188 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1avp n SER 189 N 0.00 -0.00 -0.31 0.41 7.64 0.16 -1.27 113.62 120.25 1avp n SER 189 Ca 0.00 0.89 0.16 0.00 1.01 0.00 0.00 58.87 60.93 1avp n SER 189 Cb 0.50 -0.44 0.35 0.00 -1.01 0.00 0.00 64.21 63.61 1avp n SER 189 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1avp h ALA 190 N -0.88 1.53 0.16 -0.43 0.00 -1.88 0.20 119.26 117.96 1avp h ALA 190 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1avp h ALA 190 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1avp h ALA 190 CO -0.00 -0.46 -0.08 1.96 0.00 0.00 0.00 179.25 180.68 1avp h GLN 191 N 0.31 -0.20 0.18 0.00 7.50 -1.73 -2.48 115.11 118.68 1avp h GLN 191 Ca 0.61 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.77 1avp h GLN 191 Cb 1.27 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.84 1avp h GLN 191 CO -0.60 0.15 -0.09 0.82 -1.50 0.00 0.00 178.83 177.61 1avp h ILE 192 N -0.58 0.88 -0.36 2.54 2.04 0.28 0.12 117.51 122.42 1avp h ILE 192 Ca -0.02 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1avp h ILE 192 Cb 0.44 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1avp h ILE 192 CO 0.04 0.06 0.01 0.03 0.00 0.00 0.00 178.15 178.29 1avp h ARG 193 N -0.36 0.11 -0.29 2.37 3.08 -0.77 0.21 114.38 118.73 1avp h ARG 193 Ca -0.02 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1avp h ARG 193 Cb 0.28 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1avp h ARG 193 CO 0.04 0.07 -0.10 1.03 -1.07 0.00 0.00 179.97 179.95 1avp h SER 194 N 0.12 0.45 1.50 7.04 0.87 -1.38 0.28 113.55 122.42 1avp h SER 194 Ca 0.18 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1avp h SER 194 Cb 0.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1avp h SER 194 CO -0.28 0.59 -0.30 0.00 -0.53 0.00 0.00 176.83 176.31 1avp h ALA 195 N 1.46 0.84 0.00 6.23 0.00 0.01 -3.32 119.26 124.47 1avp h ALA 195 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1avp h ALA 195 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1avp h ALA 195 CO 0.02 0.38 -0.14 0.25 0.00 0.00 0.00 179.25 179.77 1avp n THR 196 N -3.22 1.74 -1.06 0.00 -2.24 0.64 -3.43 114.28 106.71 1avp n THR 196 Ca 0.02 -2.20 -0.35 0.00 -2.27 0.00 0.00 64.05 59.24 1avp n THR 196 Cb 0.61 -0.16 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 1avp n THR 196 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1avp n SER 197 N -1.23 -2.79 0.23 3.42 3.41 0.94 -3.55 113.62 114.05 1avp n SER 197 Ca 0.15 0.42 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 1avp n SER 197 Cb 0.66 -1.08 0.55 0.00 -0.26 0.00 0.00 64.21 64.09 1avp n SER 197 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1avp h PHE 198 N -0.85 0.03 -0.15 7.33 3.57 -1.87 -2.78 116.94 122.22 1avp h PHE 198 Ca -0.44 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1avp h PHE 198 Cb 1.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1avp h PHE 198 CO 0.32 0.12 0.00 0.00 -2.23 0.00 0.00 178.31 176.52 1avp h HIS 200 N 0.93 0.09 -0.27 0.00 2.76 -1.44 -1.64 115.15 115.57 1avp h HIS 200 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1avp h HIS 200 Cb 0.79 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1avp h HIS 200 CO 0.15 0.01 0.00 1.28 -1.30 0.00 0.00 177.93 178.07 1avp n LEU 201 N -4.28 2.99 -4.74 0.26 4.77 -0.57 -5.02 117.00 110.42 1avp n LEU 201 Ca 0.22 -2.26 -0.42 0.00 -0.03 0.00 0.00 56.01 53.52 1avp n LEU 201 Cb 1.05 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.85 1avp n LEU 201 CO 0.38 0.69 1.11 1.17 -1.33 0.00 0.00 177.39 179.41 1avp n LYS 202 N 0.09 2.50 -2.27 3.23 4.81 -0.62 -4.95 118.16 120.95 1avp n LYS 202 Ca 0.12 0.88 -0.35 0.00 -0.87 0.00 0.00 58.31 58.09 1avp n LYS 202 Cb 0.51 -2.59 -0.00 0.00 0.02 0.00 0.00 35.03 32.97 1avp n LYS 202 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1avp s ASN 203 N 0.12 5.80 0.00 3.14 0.02 -1.26 -5.16 114.94 117.60 1avp s ASN 203 Ca 0.60 2.18 0.09 0.00 -1.02 0.00 0.00 52.86 54.71 1avp s ASN 203 Cb -0.52 -2.58 0.07 0.00 0.02 0.00 0.00 41.25 38.23 1avp s ASN 203 CO 0.56 -1.16 0.78 0.23 0.02 0.00 0.00 177.10 177.53