#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2onk h ARG 2 N 0.00 0.00 0.00 2.12 3.08 -2.04 -2.85 114.38 114.69 2onk h ARG 2 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2onk h ARG 2 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2onk h ARG 2 CO 0.00 0.06 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.78 2onk h LEU 3 N 0.00 0.00 -0.58 3.04 3.38 -2.03 0.26 115.31 119.38 2onk h LEU 3 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2onk h LEU 3 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2onk h LEU 3 CO 0.01 0.11 -0.03 -0.07 0.09 0.00 0.00 178.44 178.55 2onk h LEU 4 N 0.00 1.04 0.19 1.67 3.38 -1.92 0.55 115.31 120.21 2onk h LEU 4 Ca -0.00 -0.32 -0.31 0.00 0.09 0.00 0.00 57.88 57.34 2onk h LEU 4 Cb 0.33 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.82 2onk h LEU 4 CO 0.01 1.11 -1.42 0.15 0.09 0.00 0.00 178.44 178.38 2onk h PHE 5 N 0.94 0.73 0.00 1.13 3.57 -1.51 0.13 116.94 121.93 2onk h PHE 5 Ca 0.16 -0.53 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2onk h PHE 5 Cb 0.60 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2onk h PHE 5 CO 0.04 1.45 -0.17 1.03 -2.23 0.00 0.00 178.31 178.43 2onk h SER 6 N 0.11 0.00 0.12 0.41 0.87 -0.38 -1.79 113.55 112.89 2onk h SER 6 Ca -0.22 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.98 2onk h SER 6 Cb 2.08 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.99 2onk h SER 6 CO 0.23 0.17 -2.17 0.00 -0.53 0.00 0.00 176.83 174.53 2onk n ALA 7 N -2.26 1.24 -0.17 6.23 0.00 0.19 -2.91 120.51 122.82 2onk n ALA 7 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.53 2onk n ALA 7 Cb 0.32 -0.45 0.08 0.00 0.00 0.00 0.00 19.45 19.40 2onk n ALA 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2onk h LEU 8 N 0.03 -0.11 -0.21 0.00 5.85 -0.54 1.51 115.31 121.84 2onk h LEU 8 Ca -0.47 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2onk h LEU 8 Cb 2.01 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.22 2onk h LEU 8 CO 0.02 -0.03 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.01 2onk h LEU 9 N 0.18 0.37 -1.02 2.25 3.38 -1.49 -1.38 115.31 117.61 2onk h LEU 9 Ca 0.27 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2onk h LEU 9 Cb 0.40 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2onk h LEU 9 CO -0.40 0.61 0.63 0.00 0.09 0.00 0.00 178.44 179.37 2onk h ALA 10 N 0.78 1.28 0.67 1.53 0.00 -1.09 -1.18 119.26 121.24 2onk h ALA 10 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2onk h ALA 10 Cb 0.42 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2onk h ALA 10 CO 0.01 0.66 -0.32 1.25 0.00 0.00 0.00 179.25 180.84 2onk h LEU 11 N 1.32 -0.77 -0.79 0.00 5.85 0.22 -0.93 115.31 120.22 2onk h LEU 11 Ca 0.35 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.28 2onk h LEU 11 Cb -0.13 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 2onk h LEU 11 CO -0.07 -0.41 0.23 -0.07 -0.34 0.00 0.00 178.44 177.78 2onk h LEU 12 N -1.19 0.09 -0.92 2.25 3.38 -1.20 -0.15 115.31 117.57 2onk h LEU 12 Ca -0.09 0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2onk h LEU 12 Cb 0.69 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2onk h LEU 12 CO 0.15 -0.04 -0.53 0.77 0.09 0.00 0.00 178.44 178.88 2onk h SER 13 N 0.30 0.00 0.83 -0.43 4.64 -1.20 -2.63 113.55 115.06 2onk h SER 13 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2onk h SER 13 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2onk h SER 13 CO -0.53 0.53 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 2onk n SER 14 N -3.87 0.17 0.01 4.97 3.41 -0.13 -2.81 113.62 115.38 2onk n SER 14 Ca -0.01 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.12 2onk n SER 14 Cb 0.55 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2onk n SER 14 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2onk h ILE 15 N 0.00 0.00 -0.13 -1.33 1.08 -1.01 -2.91 117.51 113.21 2onk h ILE 15 Ca 0.00 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2onk h ILE 15 Cb 0.42 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 2onk h ILE 15 CO 0.00 0.00 0.32 0.40 -0.69 0.00 0.00 178.15 178.18 2onk h ILE 16 N -0.20 0.16 -0.32 -0.67 5.03 -1.63 0.75 117.51 120.63 2onk h ILE 16 Ca -0.01 0.00 -0.17 0.00 -0.12 0.00 0.00 64.86 64.56 2onk h ILE 16 Cb 0.04 0.71 -0.00 0.00 -3.03 0.00 0.00 36.82 34.54 2onk h ILE 16 CO 0.01 0.00 -0.47 -0.07 -0.68 0.00 0.00 178.15 176.94 2onk h LEU 17 N 0.00 0.95 -0.19 1.44 3.38 -1.59 -1.39 115.31 117.91 2onk h LEU 17 Ca 0.06 -0.47 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 2onk h LEU 17 Cb 0.71 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2onk h LEU 17 CO -0.00 1.26 -0.54 -0.07 0.09 0.00 0.00 178.44 179.18 2onk h LEU 18 N 0.69 0.80 -0.40 1.67 3.38 0.61 -1.04 115.31 121.01 2onk h LEU 18 Ca 0.04 -0.59 0.08 0.00 0.09 0.00 0.00 57.88 57.50 2onk h LEU 18 Cb 1.06 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 2onk h LEU 18 CO 0.11 1.24 -0.17 0.15 0.09 0.00 0.00 178.44 179.86 2onk h PHE 19 N 0.39 -0.41 0.00 1.13 3.57 -0.80 1.34 116.94 122.17 2onk h PHE 19 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2onk h PHE 19 Cb 1.16 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2onk h PHE 19 CO 0.09 -0.25 0.00 0.28 -2.23 0.00 0.00 178.31 176.20 2onk h VAL 20 N -0.09 0.00 0.00 1.41 2.07 -1.24 -3.35 116.25 115.05 2onk h VAL 20 Ca 0.20 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2onk h VAL 20 Cb 0.39 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2onk h VAL 20 CO -0.46 0.00 -0.78 0.25 0.02 0.00 0.00 177.57 176.60 2onk h LEU 21 N 0.00 0.00 0.00 2.57 6.46 0.63 -3.40 115.31 121.58 2onk h LEU 21 Ca 0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2onk h LEU 21 Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2onk h LEU 21 CO 0.00 1.07 0.00 0.18 -0.62 0.00 0.00 178.44 179.07 2onk n LEU 22 N -4.55 0.00 0.00 2.25 4.77 0.43 0.02 117.00 119.93 2onk n LEU 22 Ca -0.18 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2onk n LEU 22 Cb 0.44 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2onk n LEU 22 CO 0.14 -0.34 0.38 -0.81 -1.33 0.00 0.00 177.39 175.43 2onk n PRO 23 N -2.60 0.00 -0.35 3.23 -0.04 -1.26 0.10 135.00 134.08 2onk n PRO 23 Ca 0.00 0.62 -0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2onk n PRO 23 Cb 0.00 -1.25 0.05 0.00 -0.04 0.00 0.00 33.50 32.25 2onk n PRO 23 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2onk n VAL 24 N -1.82 -0.48 0.12 0.52 0.31 -1.09 -1.39 118.33 114.51 2onk n VAL 24 Ca 0.00 2.16 -0.07 0.00 -0.01 0.00 0.00 64.34 66.41 2onk n VAL 24 Cb 0.00 -2.86 -0.04 0.00 -0.91 0.00 0.00 33.84 30.03 2onk n VAL 24 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2onk h ALA 25 N 1.34 -0.92 -0.64 3.52 0.00 0.32 -3.08 119.26 119.80 2onk h ALA 25 Ca 0.33 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2onk h ALA 25 Cb 0.56 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2onk h ALA 25 CO -0.92 -0.93 -0.46 0.00 0.00 0.00 0.00 179.25 176.94 2onk h ALA 26 N -1.41 -0.52 -0.95 0.00 0.00 0.19 -0.54 119.26 116.03 2onk h ALA 26 Ca -0.03 0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.20 2onk h ALA 26 Cb 0.36 1.22 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 2onk h ALA 26 CO -0.02 -0.81 0.47 1.79 0.00 0.00 0.00 179.25 180.68 2onk h THR 27 N -0.10 0.42 -0.04 0.00 1.35 -1.35 0.48 112.91 113.67 2onk h THR 27 Ca 0.10 -0.14 -0.16 0.00 -0.55 0.00 0.00 66.41 65.67 2onk h THR 27 Cb 0.37 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 2onk h THR 27 CO -0.65 0.07 -0.68 0.58 -0.25 0.00 0.00 175.52 174.59 2onk h VAL 28 N 0.40 1.43 0.10 6.82 2.07 -1.07 -3.11 116.25 122.89 2onk h VAL 28 Ca 0.63 -2.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 2onk h VAL 28 Cb 1.28 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2onk h VAL 28 CO -0.56 0.64 -0.06 0.74 0.02 0.00 0.00 177.57 178.36 2onk h THR 29 N 0.12 0.00 0.00 2.57 2.02 0.13 -2.63 112.91 115.12 2onk h THR 29 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2onk h THR 29 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2onk h THR 29 CO 0.10 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.55 2onk h LEU 30 N -0.15 0.00 -0.06 2.58 3.38 -1.14 -0.31 115.31 119.61 2onk h LEU 30 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2onk h LEU 30 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2onk h LEU 30 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2onk n GLN 31 N -2.23 0.61 -0.13 1.13 1.13 -0.99 -2.01 117.38 114.89 2onk n GLN 31 Ca -0.01 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.78 2onk n GLN 31 Cb 0.64 -1.02 -0.11 0.00 0.11 0.00 0.00 30.24 29.87 2onk n GLN 31 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2onk n LEU 32 N -0.46 1.98 0.22 1.08 4.77 -0.13 -3.44 117.00 121.03 2onk n LEU 32 Ca 0.00 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.42 2onk n LEU 32 Cb 0.01 -0.87 0.51 0.00 -2.33 0.00 0.00 43.42 40.74 2onk n LEU 32 CO 0.00 0.52 0.91 -0.26 -1.33 0.00 0.00 177.39 177.23 2onk h PHE 33 N -0.95 0.00 -0.82 -1.77 -1.00 -1.61 -0.11 116.94 110.68 2onk h PHE 33 Ca -0.60 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 59.85 2onk h PHE 33 Cb 1.55 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.73 2onk h PHE 33 CO -0.03 0.00 -1.13 0.09 -1.61 0.00 0.00 178.31 175.63 2onk n ASN 34 N -2.34 1.26 0.33 2.17 4.13 -1.23 -4.93 115.26 114.66 2onk n ASN 34 Ca -0.01 -2.55 0.19 0.00 1.68 0.00 0.00 54.58 53.89 2onk n ASN 34 Cb 0.34 -0.43 1.00 0.00 -1.54 0.00 0.00 39.78 39.15 2onk n ASN 34 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2onk h PHE 35 N 2.84 0.00 0.50 3.10 3.57 -1.03 -1.58 116.94 124.34 2onk h PHE 35 Ca -0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2onk h PHE 35 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2onk h PHE 35 CO 0.47 0.00 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.87 2onk h ASP 36 N 0.00 -0.57 -0.12 0.41 3.32 -1.88 -0.25 116.42 117.33 2onk h ASP 36 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2onk h ASP 36 Cb 0.35 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2onk h ASP 36 CO 0.00 -0.20 0.02 -0.33 -1.72 0.00 0.00 179.24 177.01 2onk h GLU 37 N -1.00 0.07 -0.53 3.56 5.08 -1.71 -0.52 114.58 119.52 2onk h GLU 37 Ca -0.07 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2onk h GLU 37 Cb 0.61 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2onk h GLU 37 CO 0.11 0.05 -0.16 0.35 -1.00 0.00 0.00 179.01 178.35 2onk h PHE 38 N 0.07 -0.38 -0.26 4.33 3.57 -1.38 0.44 116.94 123.33 2onk h PHE 38 Ca 0.05 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2onk h PHE 38 Cb 0.04 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2onk h PHE 38 CO -0.12 -0.26 0.16 -0.07 -2.23 0.00 0.00 178.31 175.79 2onk h LEU 39 N -0.04 0.27 -0.09 0.59 3.38 -0.60 0.20 115.31 119.03 2onk h LEU 39 Ca 0.25 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2onk h LEU 39 Cb 0.43 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2onk h LEU 39 CO -0.57 0.20 -0.06 0.11 0.09 0.00 0.00 178.44 178.21 2onk h LYS 40 N 0.33 -0.06 -0.27 1.13 1.57 0.33 -0.44 116.57 119.16 2onk h LYS 40 Ca 0.10 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2onk h LYS 40 Cb -0.02 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 2onk h LYS 40 CO -0.03 -0.04 -0.15 0.00 -0.57 0.00 0.00 179.45 178.65 2onk h ALA 41 N 1.02 0.05 -0.81 3.86 0.00 0.12 0.36 119.26 123.86 2onk h ALA 41 Ca 0.06 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.28 2onk h ALA 41 Cb 0.15 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2onk h ALA 41 CO -0.13 -0.56 0.56 0.00 0.00 0.00 0.00 179.25 179.12 2onk h ALA 42 N 1.07 2.53 0.00 0.00 0.00 0.24 -0.99 119.26 122.10 2onk h ALA 42 Ca 0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2onk h ALA 42 Cb 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2onk h ALA 42 CO -0.35 -0.77 -1.49 0.77 0.00 0.00 0.00 179.25 177.41 2onk h SER 43 N 0.15 0.00 -0.66 0.00 0.02 0.73 -3.46 113.55 110.32 2onk h SER 43 Ca 0.40 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.85 2onk h SER 43 Cb 1.34 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.83 2onk h SER 43 CO -0.07 0.85 1.69 -0.67 -1.14 0.00 0.00 176.83 177.49 2onk n ASP 44 N -3.04 1.16 0.00 3.07 -0.08 0.11 -4.76 116.55 113.01 2onk n ASP 44 Ca -0.12 -0.07 0.02 0.00 -1.51 0.00 0.00 54.79 53.11 2onk n ASP 44 Cb 0.96 -1.19 0.10 0.00 2.34 0.00 0.00 41.12 43.33 2onk n ASP 44 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2onk n PRO 45 N 8.66 0.02 -0.07 -0.67 -0.04 -1.26 -1.21 135.00 140.42 2onk n PRO 45 Ca 0.54 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 64.24 2onk n PRO 45 Cb 0.24 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 2onk n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2onk h ALA 46 N 2.16 0.34 0.46 0.55 0.00 -1.94 -2.05 119.26 118.78 2onk h ALA 46 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2onk h ALA 46 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2onk h ALA 46 CO 0.00 0.35 -0.26 0.28 0.00 0.00 0.00 179.25 179.62 2onk h VAL 47 N 0.29 0.46 -0.32 0.00 2.07 -1.49 -2.40 116.25 114.86 2onk h VAL 47 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2onk h VAL 47 Cb 0.86 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2onk h VAL 47 CO 0.07 0.00 0.22 -0.50 0.02 0.00 0.00 177.57 177.38 2onk h TRP 48 N -0.68 0.11 -0.47 1.57 4.06 -1.56 0.23 115.95 119.21 2onk h TRP 48 Ca -0.06 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 2onk h TRP 48 Cb 0.54 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 2onk h TRP 48 CO -0.08 0.06 0.15 0.87 -3.56 0.00 0.00 178.44 175.89 2onk h LYS 49 N 0.11 0.73 0.34 0.49 1.57 -0.89 -2.09 116.57 116.82 2onk h LYS 49 Ca 0.15 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2onk h LYS 49 Cb 0.43 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2onk h LYS 49 CO -0.02 0.69 -0.16 0.28 -0.57 0.00 0.00 179.45 179.67 2onk h VAL 50 N 0.62 0.60 -0.85 0.50 2.07 -0.59 -2.23 116.25 116.37 2onk h VAL 50 Ca 0.15 -0.64 0.19 0.00 0.82 0.00 0.00 66.70 67.23 2onk h VAL 50 Cb 0.26 0.89 -0.16 0.00 -1.52 0.00 0.00 31.29 30.77 2onk h VAL 50 CO -0.01 0.11 -0.09 0.58 0.02 0.00 0.00 177.57 178.18 2onk h VAL 51 N -0.84 0.19 -0.29 2.57 2.07 -0.63 0.37 116.25 119.68 2onk h VAL 51 Ca -0.05 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2onk h VAL 51 Cb 0.53 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2onk h VAL 51 CO 0.08 0.01 0.06 -0.07 0.02 0.00 0.00 177.57 177.66 2onk h LEU 52 N 0.04 0.45 -0.80 2.57 3.38 -1.37 -1.07 115.31 118.51 2onk h LEU 52 Ca 0.45 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2onk h LEU 52 Cb 0.78 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 2onk h LEU 52 CO -0.81 0.58 0.45 0.74 0.09 0.00 0.00 178.44 179.49 2onk h THR 53 N 0.30 0.90 0.00 0.22 2.02 0.04 0.20 112.91 116.58 2onk h THR 53 Ca 0.09 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2onk h THR 53 Cb 0.32 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2onk h THR 53 CO 0.00 0.14 0.00 0.41 0.37 0.00 0.00 175.52 176.44 2onk n THR 54 N -4.77 0.00 -0.32 3.16 -1.04 0.95 -0.69 114.28 111.57 2onk n THR 54 Ca 0.13 1.21 0.09 0.00 -2.04 0.00 0.00 64.05 63.44 2onk n THR 54 Cb 0.27 -2.14 0.21 0.00 -1.82 0.00 0.00 70.33 66.86 2onk n THR 54 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 2onk h TYR 55 N 0.00 -0.16 -0.36 -1.42 -1.99 -1.06 0.12 116.97 112.10 2onk h TYR 55 Ca 0.00 0.07 -0.12 0.00 2.00 0.00 0.00 58.73 60.68 2onk h TYR 55 Cb 0.00 0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 2onk h TYR 55 CO 0.02 -0.37 -0.27 -0.92 -0.00 0.00 0.00 178.16 176.62 2onk h TYR 56 N 0.04 0.86 -0.29 4.88 3.20 -0.62 -0.68 116.97 124.35 2onk h TYR 56 Ca 0.51 -0.21 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 2onk h TYR 56 Cb 0.94 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2onk h TYR 56 CO -0.54 0.94 -0.21 0.00 -1.64 0.00 0.00 178.16 176.71 2onk h ALA 57 N 1.05 0.41 -0.04 1.82 0.00 0.14 -2.73 119.26 119.91 2onk h ALA 57 Ca 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2onk h ALA 57 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2onk h ALA 57 CO 0.07 0.36 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 2onk h ALA 58 N 0.72 1.49 0.00 0.00 0.00 -0.91 -2.14 119.26 118.43 2onk h ALA 58 Ca 0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2onk h ALA 58 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2onk h ALA 58 CO 0.06 0.37 -0.37 1.25 0.00 0.00 0.00 179.25 180.56 2onk h LEU 59 N 0.07 0.00 0.01 0.00 6.46 -0.88 -2.46 115.31 118.51 2onk h LEU 59 Ca 0.01 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.51 2onk h LEU 59 Cb 0.50 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.45 2onk h LEU 59 CO 0.04 0.37 -1.02 0.40 -0.62 0.00 0.00 178.44 177.61 2onk h ILE 60 N 0.00 1.29 -0.66 4.05 2.04 -1.10 -2.59 117.51 120.55 2onk h ILE 60 Ca -0.00 -2.25 0.03 0.00 1.00 0.00 0.00 64.86 63.64 2onk h ILE 60 Cb 0.68 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 2onk h ILE 60 CO 0.05 0.69 0.41 0.77 0.00 0.00 0.00 178.15 180.06 2onk h SER 61 N 0.33 0.66 0.37 1.72 4.64 -1.29 -1.08 113.55 118.90 2onk h SER 61 Ca -0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2onk h SER 61 Cb 1.68 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 2onk h SER 61 CO 0.20 0.45 -0.24 0.74 -0.87 0.00 0.00 176.83 177.11 2onk h THR 62 N 0.79 0.50 -0.60 2.95 2.02 -1.45 0.16 112.91 117.28 2onk h THR 62 Ca 0.27 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.55 2onk h THR 62 Cb 0.04 0.50 -0.08 0.00 -1.74 0.00 0.00 68.15 66.87 2onk h THR 62 CO -0.11 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 175.89 2onk h LEU 63 N -0.59 0.12 -1.02 2.58 3.38 -1.16 0.35 115.31 118.97 2onk h LEU 63 Ca -0.04 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2onk h LEU 63 Cb 0.50 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2onk h LEU 63 CO 0.03 0.07 0.65 0.40 0.09 0.00 0.00 178.44 179.68 2onk h ILE 64 N 0.33 1.12 0.67 1.22 2.04 -0.73 0.20 117.51 122.36 2onk h ILE 64 Ca 0.31 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2onk h ILE 64 Cb 0.42 -0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2onk h ILE 64 CO -0.35 0.22 -0.32 0.00 0.00 0.00 0.00 178.15 177.70 2onk h ALA 65 N 1.45 -1.18 -0.57 1.87 0.00 0.25 -1.23 119.26 119.84 2onk h ALA 65 Ca 0.42 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2onk h ALA 65 Cb 0.11 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 2onk h ALA 65 CO -0.15 -1.11 -0.43 0.28 0.00 0.00 0.00 179.25 177.83 2onk h VAL 66 N -0.95 0.09 -0.31 0.00 2.07 -0.36 4.00 116.25 120.78 2onk h VAL 66 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 2onk h VAL 66 Cb 0.69 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2onk h VAL 66 CO 0.15 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.36 2onk h ILE 67 N -0.23 0.87 0.00 4.57 2.04 -0.91 -1.18 117.51 122.67 2onk h ILE 67 Ca 0.18 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.90 2onk h ILE 67 Cb 0.56 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2onk h ILE 67 CO -0.69 0.01 -1.46 0.49 0.00 0.00 0.00 178.15 176.50 2onk n PHE 68 N -4.46 0.00 -0.06 1.37 3.01 -0.47 -4.70 117.46 112.15 2onk n PHE 68 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 2onk n PHE 68 Cb 0.36 -0.33 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 2onk n PHE 68 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2onk h GLY 69 N 1.32 0.75 0.20 1.37 0.00 0.77 -3.31 103.07 104.16 2onk h GLY 69 Ca -0.18 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.26 2onk h GLY 69 CO 0.01 0.80 -0.44 -0.84 0.00 0.00 0.00 176.54 176.07 2onk h THR 70 N 0.38 0.00 -0.97 4.70 2.02 -1.23 -0.21 112.91 117.61 2onk h THR 70 Ca 0.00 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.50 2onk h THR 70 Cb 1.06 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.30 2onk h THR 70 CO 0.10 0.00 0.31 1.55 0.37 0.00 0.00 175.52 177.85 2onk h PRO 71 N -0.70 0.10 -0.50 6.66 0.13 -1.79 0.54 132.00 136.44 2onk h PRO 71 Ca -0.02 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 2onk h PRO 71 Cb 0.67 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2onk h PRO 71 CO -0.19 0.07 -0.20 1.25 -0.23 0.00 0.00 178.00 178.70 2onk h LEU 72 N 0.10 1.04 -1.24 1.56 5.85 -1.45 -2.29 115.31 118.87 2onk h LEU 72 Ca 0.68 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2onk h LEU 72 Cb 1.56 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2onk h LEU 72 CO -0.76 1.19 0.37 0.00 -0.34 0.00 0.00 178.44 178.90 2onk h ALA 73 N 0.88 1.43 0.72 1.25 0.00 0.18 0.30 119.26 124.02 2onk h ALA 73 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2onk h ALA 73 Cb 0.79 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2onk h ALA 73 CO 0.07 0.48 -0.35 -0.92 0.00 0.00 0.00 179.25 178.53 2onk h TYR 74 N 0.90 -0.90 -0.88 0.00 3.20 -0.98 -2.14 116.97 116.17 2onk h TYR 74 Ca 0.23 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.34 2onk h TYR 74 Cb -0.00 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2onk h TYR 74 CO 0.00 -0.55 0.72 0.82 -1.64 0.00 0.00 178.16 177.52 2onk h ILE 75 N -1.22 0.40 0.11 1.81 2.04 -1.10 0.72 117.51 120.26 2onk h ILE 75 Ca -0.10 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.47 2onk h ILE 75 Cb 0.76 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2onk h ILE 75 CO 0.16 0.00 -1.38 -0.07 0.00 0.00 0.00 178.15 176.86 2onk h LEU 76 N 0.00 0.37 -0.43 1.44 3.38 -0.71 -3.21 115.31 116.16 2onk h LEU 76 Ca 0.42 -0.46 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2onk h LEU 76 Cb 1.86 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2onk h LEU 76 CO -0.00 1.37 -0.76 0.00 0.09 0.00 0.00 178.44 179.13 2onk h ALA 77 N 0.57 0.71 -3.00 1.53 0.00 -0.26 -3.43 119.26 115.39 2onk h ALA 77 Ca -0.18 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2onk h ALA 77 Cb 1.98 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2onk h ALA 77 CO 0.18 0.95 0.00 0.54 0.00 0.00 0.00 179.25 180.92 2onk n ARG 78 N -3.59 0.00 -1.13 0.00 5.12 -0.31 -4.84 116.66 111.91 2onk n ARG 78 Ca -0.01 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.56 2onk n ARG 78 Cb 0.75 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 32.14 2onk n ARG 78 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2onk n LYS 79 N 0.00 0.15 -3.50 5.56 5.02 -1.21 -5.02 118.16 119.16 2onk n LYS 79 Ca 0.00 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 2onk n LYS 79 Cb 0.00 -1.91 -0.13 0.00 -0.02 0.00 0.00 35.03 32.97 2onk n LYS 79 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2onk s SER 80 N -1.68 1.57 0.35 4.39 1.04 -1.26 -4.67 113.70 113.44 2onk s SER 80 Ca 0.64 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2onk s SER 80 Cb -0.31 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.14 2onk s SER 80 CO 0.59 -0.34 0.14 2.22 0.98 0.00 0.00 173.24 176.84 2onk n PHE 81 N 5.31 -0.06 -0.14 5.02 1.16 -1.26 -5.06 117.46 122.42 2onk n PHE 81 Ca -0.05 -1.62 -0.12 0.00 -1.87 0.00 0.00 57.45 53.79 2onk n PHE 81 Cb 0.49 -0.26 -0.01 0.00 -1.61 0.00 0.00 39.48 38.08 2onk n PHE 81 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 2onk h PRO 82 N 0.00 0.90 -0.45 3.97 0.13 -2.06 -3.32 132.00 131.17 2onk h PRO 82 Ca -0.26 -0.39 -0.03 0.00 -0.87 0.00 0.00 66.00 64.45 2onk h PRO 82 Cb 0.85 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2onk h PRO 82 CO 0.42 1.05 0.18 0.78 -0.23 0.00 0.00 178.00 180.19 2onk h GLY 83 N 0.73 0.72 0.00 1.56 0.00 -2.03 -3.38 103.07 100.67 2onk h GLY 83 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2onk h GLY 83 CO 0.06 0.37 0.00 0.28 0.00 0.00 0.00 176.54 177.25 2onk n LYS 84 N -4.60 0.00 -0.28 4.80 5.02 -1.25 0.11 118.16 121.95 2onk n LYS 84 Ca 0.01 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 2onk n LYS 84 Cb 0.15 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.43 2onk n LYS 84 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2onk n SER 85 N -1.12 -0.05 0.17 4.39 7.64 -1.26 0.10 113.62 123.49 2onk n SER 85 Ca 0.00 1.39 -0.08 0.00 1.01 0.00 0.00 58.87 61.19 2onk n SER 85 Cb 0.00 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 2onk n SER 85 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2onk h VAL 86 N 0.00 0.05 -0.97 0.44 2.07 0.42 -2.59 116.25 115.67 2onk h VAL 86 Ca 0.52 -0.65 0.28 0.00 0.82 0.00 0.00 66.70 67.68 2onk h VAL 86 Cb 1.12 0.08 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 2onk h VAL 86 CO -0.76 0.01 0.50 0.58 0.02 0.00 0.00 177.57 177.92 2onk h VAL 87 N -1.12 0.36 -0.35 2.57 2.07 -0.64 0.56 116.25 119.69 2onk h VAL 87 Ca -0.05 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 2onk h VAL 87 Cb 0.41 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2onk h VAL 87 CO 0.08 0.06 -0.22 -0.33 0.02 0.00 0.00 177.57 177.19 2onk h GLU 88 N 0.36 0.69 -0.13 1.57 5.08 0.63 -2.72 114.58 120.05 2onk h GLU 88 Ca 0.67 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2onk h GLU 88 Cb 1.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2onk h GLU 88 CO -0.59 0.85 -0.08 0.78 -1.00 0.00 0.00 179.01 178.97 2onk h GLY 89 N 0.98 0.31 0.31 -3.84 0.00 0.43 -2.94 103.07 98.32 2onk h GLY 89 Ca 0.09 -0.29 0.14 0.00 0.00 0.00 0.00 47.33 47.27 2onk h GLY 89 CO 0.05 0.26 0.53 -2.22 0.00 0.00 0.00 176.54 175.16 2onk h ILE 90 N -0.08 0.80 -0.31 2.60 2.04 -0.93 0.21 117.51 121.84 2onk h ILE 90 Ca 0.03 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2onk h ILE 90 Cb 0.56 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2onk h ILE 90 CO 0.02 0.14 0.20 0.58 0.00 0.00 0.00 178.15 179.10 2onk h VAL 91 N 0.77 1.04 -0.02 1.67 2.07 -1.35 -2.01 116.25 118.42 2onk h VAL 91 Ca 0.49 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.88 2onk h VAL 91 Cb 0.62 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2onk h VAL 91 CO -0.33 0.07 -0.03 0.47 0.02 0.00 0.00 177.57 177.77 2onk n ASP 92 N -4.49 1.99 -0.18 0.57 8.00 0.63 -4.23 116.55 118.84 2onk n ASP 92 Ca 0.02 -1.63 -0.08 0.00 0.71 0.00 0.00 54.79 53.81 2onk n ASP 92 Cb 0.11 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 2onk n ASP 92 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2onk h LEU 93 N 3.07 -1.26 -1.15 0.64 3.38 -0.49 -0.74 115.31 118.77 2onk h LEU 93 Ca 0.00 0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.34 2onk h LEU 93 Cb 0.68 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2onk h LEU 93 CO 0.00 -0.19 0.96 1.55 0.09 0.00 0.00 178.44 180.85 2onk h PRO 94 N -0.12 0.00 0.00 1.13 0.13 -1.80 0.37 132.00 131.71 2onk h PRO 94 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2onk h PRO 94 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2onk h PRO 94 CO -0.48 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 177.57 2onk h VAL 95 N 0.00 0.00 0.00 1.56 2.07 -1.45 -3.24 116.25 115.19 2onk h VAL 95 Ca 0.31 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2onk h VAL 95 Cb 2.23 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2onk h VAL 95 CO -0.00 0.00 -1.86 0.52 0.02 0.00 0.00 177.57 176.24 2onk n VAL 96 N -2.62 0.29 -2.90 2.57 0.31 0.13 -4.91 118.33 111.20 2onk n VAL 96 Ca 0.04 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 2onk n VAL 96 Cb 0.40 -0.07 -0.05 0.00 -0.91 0.00 0.00 33.84 33.21 2onk n VAL 96 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2onk s ILE 97 N -2.97 4.68 0.42 2.52 1.01 -1.13 -5.02 121.20 120.71 2onk s ILE 97 Ca -0.07 1.03 -0.25 0.00 0.00 0.00 0.00 60.65 61.37 2onk s ILE 97 Cb 0.09 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 2onk s ILE 97 CO 0.69 -0.46 1.13 -0.81 0.00 0.00 0.00 174.94 175.50 2onk n PRO 98 N 6.53 1.60 -0.33 2.79 -0.04 -1.26 -4.63 135.00 139.67 2onk n PRO 98 Ca 0.05 0.57 -0.09 0.00 -0.04 0.00 0.00 63.50 63.99 2onk n PRO 98 Cb 0.48 -2.20 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 2onk n PRO 98 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2onk n HIS 99 N -0.39 -0.34 -0.17 0.54 8.25 -1.26 -1.33 115.22 120.52 2onk n HIS 99 Ca 0.08 0.97 -0.08 0.00 -0.26 0.00 0.00 57.72 58.43 2onk n HIS 99 Cb 0.39 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 2onk n HIS 99 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2onk h THR 100 N 0.00 0.12 -0.61 1.59 2.02 -1.90 -0.50 112.91 113.64 2onk h THR 100 Ca 0.12 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.39 2onk h THR 100 Cb 0.32 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 2onk h THR 100 CO -0.73 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.00 2onk h VAL 101 N -0.25 0.82 -0.30 3.16 2.07 -1.55 0.25 116.25 120.46 2onk h VAL 101 Ca 0.18 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2onk h VAL 101 Cb 0.57 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 2onk h VAL 101 CO -0.64 0.08 -0.21 0.00 0.02 0.00 0.00 177.57 176.83 2onk h ALA 102 N 1.39 -0.01 0.05 1.67 0.00 -0.33 0.39 119.26 122.41 2onk h ALA 102 Ca 0.30 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.34 2onk h ALA 102 Cb 0.32 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2onk h ALA 102 CO -0.27 -0.61 -0.24 0.78 0.00 0.00 0.00 179.25 178.92 2onk h GLY 103 N -0.18 -0.39 0.26 0.00 0.00 0.13 0.29 103.07 103.17 2onk h GLY 103 Ca 0.16 0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.84 2onk h GLY 103 CO -0.41 -0.20 -0.09 -2.22 0.00 0.00 0.00 176.54 173.61 2onk h ILE 104 N -0.40 0.63 -0.62 2.60 2.04 -0.23 0.45 117.51 121.98 2onk h ILE 104 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2onk h ILE 104 Cb 0.46 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2onk h ILE 104 CO -0.18 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.37 2onk h ALA 105 N 1.37 0.79 -0.74 1.87 0.00 0.11 0.10 119.26 122.75 2onk h ALA 105 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2onk h ALA 105 Cb 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2onk h ALA 105 CO -0.38 0.20 0.42 -0.07 0.00 0.00 0.00 179.25 179.42 2onk h LEU 106 N 0.82 0.91 -0.66 0.00 3.38 0.85 -2.32 115.31 118.29 2onk h LEU 106 Ca 0.23 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2onk h LEU 106 Cb -0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2onk h LEU 106 CO -0.06 0.73 0.42 0.25 0.09 0.00 0.00 178.44 179.87 2onk h LEU 107 N 1.02 0.69 0.00 1.67 6.46 0.66 0.07 115.31 125.88 2onk h LEU 107 Ca 0.26 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2onk h LEU 107 Cb 0.01 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2onk h LEU 107 CO -0.05 0.49 0.03 0.52 -0.62 0.00 0.00 178.44 178.81 2onk n VAL 108 N -4.68 1.21 0.00 1.05 0.31 -0.06 0.15 118.33 116.31 2onk n VAL 108 Ca 0.06 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2onk n VAL 108 Cb 0.07 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2onk n VAL 108 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2onk n VAL 109 N -1.29 0.00 0.13 2.52 0.31 -0.10 -3.76 118.33 116.15 2onk n VAL 109 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2onk n VAL 109 Cb 0.03 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 2onk n VAL 109 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2onk n PHE 110 N -1.86 0.00 -2.78 3.52 3.01 -0.57 0.22 117.46 119.00 2onk n PHE 110 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 2onk n PHE 110 Cb 0.38 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.79 2onk n PHE 110 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2onk s GLY 111 N -0.67 3.09 0.15 1.37 0.00 0.39 -4.20 107.32 107.45 2onk s GLY 111 Ca 0.03 0.58 0.06 0.00 0.00 0.00 0.00 44.72 45.39 2onk s GLY 111 CO 0.07 1.15 0.69 1.44 0.00 0.00 0.00 173.10 176.44 2onk n SER 112 N 1.50 0.06 0.36 1.64 7.64 -1.26 -0.95 113.62 122.62 2onk n SER 112 Ca -0.02 0.73 -0.15 0.00 1.01 0.00 0.00 58.87 60.44 2onk n SER 112 Cb 0.47 -0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 2onk n SER 112 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2onk h SER 113 N 0.00 -0.81 -2.99 6.43 0.02 -1.89 -3.26 113.55 111.04 2onk h SER 113 Ca 0.32 0.02 -0.46 0.00 -0.84 0.00 0.00 61.79 60.84 2onk h SER 113 Cb 0.79 0.21 0.22 0.00 0.14 0.00 0.00 62.40 63.76 2onk h SER 113 CO -0.37 -0.44 -0.43 0.61 -1.14 0.00 0.00 176.83 175.07 2onk n GLY 114 N -0.69 -2.06 0.00 -3.77 0.00 -0.12 -4.73 105.19 93.82 2onk n GLY 114 Ca -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2onk n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2onk n LEU 115 N -3.42 0.00 -0.34 0.99 4.77 -1.25 -2.45 117.00 115.30 2onk n LEU 115 Ca 0.03 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.22 2onk n LEU 115 Cb 0.57 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.10 2onk n LEU 115 CO 0.54 0.00 1.19 0.40 -1.33 0.00 0.00 177.39 178.19 2onk h ILE 116 N 0.00 0.51 -1.22 -0.08 2.04 -1.77 -2.03 117.51 114.97 2onk h ILE 116 Ca 0.00 -0.16 0.37 0.00 1.00 0.00 0.00 64.86 66.07 2onk h ILE 116 Cb 0.00 -0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 35.95 2onk h ILE 116 CO 0.00 0.09 0.79 1.23 0.00 0.00 0.00 178.15 180.25 2onk h GLY 117 N 0.48 1.21 0.10 5.37 0.00 0.10 0.39 103.07 110.72 2onk h GLY 117 Ca 0.63 -0.14 -0.26 0.00 0.00 0.00 0.00 47.33 47.56 2onk h GLY 117 CO -0.41 -0.28 -1.42 1.44 0.00 0.00 0.00 176.54 175.87 2onk n SER 118 N -4.64 1.91 0.00 0.19 7.64 -0.80 -4.12 113.62 113.79 2onk n SER 118 Ca 0.32 0.38 0.02 0.00 1.01 0.00 0.00 58.87 60.61 2onk n SER 118 Cb 1.22 -0.95 0.12 0.00 -1.01 0.00 0.00 64.21 63.60 2onk n SER 118 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2onk n PHE 119 N -4.27 0.00 -5.01 1.43 3.01 -0.39 -4.64 117.46 107.59 2onk n PHE 119 Ca -0.33 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.81 2onk n PHE 119 Cb 0.75 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 40.05 2onk n PHE 119 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2onk s SER 120 N -1.56 3.05 0.19 4.37 0.15 0.12 -4.97 113.70 115.05 2onk s SER 120 Ca 0.06 -0.57 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 2onk s SER 120 Cb 0.03 -1.40 0.11 0.00 -1.71 0.00 0.00 66.02 63.04 2onk s SER 120 CO 0.05 0.13 1.56 1.55 1.20 0.00 0.00 173.24 177.73 2onk h PRO 121 N 6.93 0.79 -6.43 5.44 0.13 -1.88 -3.42 132.00 133.55 2onk h PRO 121 Ca -0.24 -0.37 -0.57 0.00 -0.87 0.00 0.00 66.00 63.95 2onk h PRO 121 Cb 1.22 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2onk h PRO 121 CO 0.50 1.00 1.12 -1.17 -0.23 0.00 0.00 178.00 179.22 2onk s LEU 122 N -8.80 3.61 0.16 1.56 2.96 -1.26 -4.99 118.68 111.92 2onk s LEU 122 Ca -0.09 1.05 -0.31 0.00 -0.22 0.00 0.00 54.13 54.55 2onk s LEU 122 Cb 0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.19 2onk s LEU 122 CO 0.85 -1.47 1.45 -0.54 -1.32 0.00 0.00 176.35 175.32 2onk s LYS 123 N 5.05 4.28 -0.27 1.98 1.02 -1.26 -4.93 119.74 125.61 2onk s LYS 123 Ca 0.67 2.20 -0.15 0.00 0.02 0.00 0.00 55.97 58.71 2onk s LYS 123 Cb -0.17 -3.19 -0.13 0.00 -0.52 0.00 0.00 37.83 33.82 2onk s LYS 123 CO 0.32 -0.48 -0.31 1.19 -0.92 0.00 0.00 175.35 175.16 2onk n PHE 124 N 3.63 0.09 -1.47 3.18 3.01 -1.26 -4.66 117.46 119.99 2onk n PHE 124 Ca 0.11 0.04 -0.46 0.00 1.01 0.00 0.00 57.45 58.15 2onk n PHE 124 Cb 0.41 -1.01 -0.02 0.00 -0.01 0.00 0.00 39.48 38.85 2onk n PHE 124 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2onk n VAL 125 N -4.26 1.96 -1.21 -4.37 0.31 -1.26 -0.37 118.33 109.13 2onk n VAL 125 Ca -0.53 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.25 2onk n VAL 125 Cb 0.87 -0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 33.41 2onk n VAL 125 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2onk n ASP 126 N 1.71 -1.45 -4.28 4.52 8.00 0.52 -4.89 116.55 120.68 2onk n ASP 126 Ca 0.15 0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.64 2onk n ASP 126 Cb 0.28 -1.64 -0.10 0.00 -0.02 0.00 0.00 41.12 39.64 2onk n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2onk s ALA 127 N -1.49 1.57 0.25 2.24 0.00 0.50 -4.32 121.76 120.51 2onk s ALA 127 Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 2onk s ALA 127 Cb 0.00 0.20 0.34 0.00 0.00 0.00 0.00 23.12 23.66 2onk s ALA 127 CO 0.00 -0.15 1.57 1.25 0.00 0.00 0.00 175.76 178.43 2onk h LEU 128 N 2.68 -1.07 -0.87 0.00 5.85 -1.87 0.60 115.31 120.62 2onk h LEU 128 Ca -0.37 0.29 0.21 0.00 0.84 0.00 0.00 57.88 58.85 2onk h LEU 128 Cb 1.20 0.64 -0.12 0.00 0.37 0.00 0.00 40.66 42.75 2onk h LEU 128 CO 0.64 -0.30 0.36 -0.65 -0.34 0.00 0.00 178.44 178.14 2onk h PRO 129 N -0.01 0.37 -0.46 5.25 0.11 -1.83 0.34 132.00 135.78 2onk h PRO 129 Ca 0.40 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 2onk h PRO 129 Cb 0.65 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 2onk h PRO 129 CO -0.95 0.25 0.18 0.78 -0.21 0.00 0.00 178.00 178.04 2onk h GLY 130 N 0.38 0.69 0.72 -0.55 0.00 -0.69 -1.49 103.07 102.14 2onk h GLY 130 Ca 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2onk h GLY 130 CO -0.53 0.32 -0.00 -2.22 0.00 0.00 0.00 176.54 174.11 2onk h ILE 131 N 0.64 1.26 0.20 2.60 2.04 -0.25 -0.56 117.51 123.44 2onk h ILE 131 Ca 0.16 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2onk h ILE 131 Cb 0.13 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2onk h ILE 131 CO -0.02 0.23 -0.18 0.58 0.00 0.00 0.00 178.15 178.76 2onk h VAL 132 N -0.19 0.00 -1.19 1.67 2.07 -0.98 0.26 116.25 117.89 2onk h VAL 132 Ca 0.02 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.93 2onk h VAL 132 Cb 0.36 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.00 2onk h VAL 132 CO 0.00 0.00 0.74 0.58 0.02 0.00 0.00 177.57 178.92 2onk h VAL 133 N -0.37 0.20 0.60 2.57 2.07 -1.32 0.65 116.25 120.65 2onk h VAL 133 Ca -0.03 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2onk h VAL 133 Cb 0.32 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2onk h VAL 133 CO -0.01 0.03 -0.29 0.00 0.02 0.00 0.00 177.57 177.32 2onk h ALA 134 N 1.69 -0.96 -0.48 1.67 0.00 0.04 -2.72 119.26 118.50 2onk h ALA 134 Ca 0.77 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.56 2onk h ALA 134 Cb 2.22 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 20.27 2onk h ALA 134 CO -0.47 -0.90 0.19 0.52 0.00 0.00 0.00 179.25 178.60 2onk h MET 135 N -1.01 0.37 0.00 0.00 2.86 0.19 -2.95 114.93 114.40 2onk h MET 135 Ca -0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2onk h MET 135 Cb 0.61 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2onk h MET 135 CO 0.13 0.25 0.00 -0.11 1.06 0.00 0.00 176.91 178.24 2onk n LEU 136 N -4.97 0.00 -0.29 1.22 7.94 0.20 -1.39 117.00 119.71 2onk n LEU 136 Ca 0.04 0.86 0.28 0.00 -1.11 0.00 0.00 56.01 56.08 2onk n LEU 136 Cb 0.17 -0.36 0.49 0.00 0.53 0.00 0.00 43.42 44.25 2onk n LEU 136 CO 0.26 -0.36 0.88 0.33 -1.11 0.00 0.00 177.39 177.40 2onk n PHE 137 N -2.11 0.81 0.12 1.96 7.35 -1.03 0.55 117.46 125.11 2onk n PHE 137 Ca 0.00 0.82 0.03 0.00 -0.76 0.00 0.00 57.45 57.54 2onk n PHE 137 Cb 0.00 -1.24 0.01 0.00 0.35 0.00 0.00 39.48 38.60 2onk n PHE 137 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2onk h VAL 138 N 0.00 0.64 0.00 -2.13 2.07 -1.17 -3.38 116.25 112.28 2onk h VAL 138 Ca 0.68 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2onk h VAL 138 Cb 1.94 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2onk h VAL 138 CO -0.54 0.36 -1.51 -1.54 0.02 0.00 0.00 177.57 174.37 2onk n SER 139 N -3.09 1.49 -0.28 0.57 3.41 0.19 -4.66 113.62 111.25 2onk n SER 139 Ca -0.01 -0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.41 2onk n SER 139 Cb 0.73 1.56 -0.01 0.00 -0.26 0.00 0.00 64.21 66.23 2onk n SER 139 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2onk h VAL 140 N 0.00 0.07 -0.20 -3.33 2.07 -0.88 -0.09 116.25 113.89 2onk h VAL 140 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2onk h VAL 140 Cb 0.62 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2onk h VAL 140 CO 0.00 0.00 -0.08 1.55 0.02 0.00 0.00 177.57 179.06 2onk h PRO 141 N -0.12 -0.05 -1.01 1.57 0.13 -1.83 -1.26 132.00 129.43 2onk h PRO 141 Ca 0.24 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.67 2onk h PRO 141 Cb 0.56 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.56 2onk h PRO 141 CO -0.81 -0.04 0.59 0.82 -0.23 0.00 0.00 178.00 178.33 2onk h ILE 142 N -0.06 0.39 0.19 -3.56 2.04 -1.31 -1.10 117.51 114.11 2onk h ILE 142 Ca 0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2onk h ILE 142 Cb 0.22 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2onk h ILE 142 CO -0.24 0.08 -0.09 0.22 0.00 0.00 0.00 178.15 178.12 2onk h TYR 143 N 0.42 -0.24 -0.86 1.37 3.20 -0.66 -3.21 116.97 116.99 2onk h TYR 143 Ca 0.70 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.67 2onk h TYR 143 Cb 1.51 0.08 -0.12 0.00 1.54 0.00 0.00 36.73 39.74 2onk h TYR 143 CO -0.01 -0.15 -0.43 -0.89 -1.64 0.00 0.00 178.16 175.05 2onk n ILE 144 N -4.17 -0.53 -0.20 1.81 5.41 -0.56 -0.24 119.36 120.88 2onk n ILE 144 Ca -0.03 2.05 0.01 0.00 1.00 0.00 0.00 62.75 65.78 2onk n ILE 144 Cb 0.10 -2.61 0.11 0.00 -0.71 0.00 0.00 39.64 36.53 2onk n ILE 144 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2onk h ASN 145 N 0.00 0.09 -0.53 4.38 4.21 -1.36 0.39 115.58 122.77 2onk h ASN 145 Ca 0.21 0.10 -0.08 0.00 1.21 0.00 0.00 56.30 57.74 2onk h ASN 145 Cb 0.43 0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 2onk h ASN 145 CO -0.83 0.05 0.01 1.56 -1.29 0.00 0.00 177.43 176.93 2onk h GLN 146 N 0.31 0.93 -0.39 0.81 1.08 -0.62 -1.96 115.11 115.27 2onk h GLN 146 Ca 0.32 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2onk h GLN 146 Cb 0.45 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2onk h GLN 146 CO -0.37 0.94 0.10 0.00 -0.95 0.00 0.00 178.83 178.55 2onk h ALA 147 N 0.95 1.44 0.69 3.87 0.00 0.50 -2.22 119.26 124.50 2onk h ALA 147 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2onk h ALA 147 Cb 0.52 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2onk h ALA 147 CO 0.03 0.41 -0.33 -0.22 0.00 0.00 0.00 179.25 179.14 2onk h LYS 148 N 0.57 -0.90 -1.16 0.00 3.64 0.24 -1.86 116.57 117.10 2onk h LYS 148 Ca 0.13 0.06 0.34 0.00 -1.27 0.00 0.00 60.65 59.91 2onk h LYS 148 Cb 0.21 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2onk h LYS 148 CO -0.00 -0.57 0.84 0.93 -2.27 0.00 0.00 179.45 178.37 2onk h GLU 149 N -1.06 0.00 0.17 1.90 5.08 -1.14 0.27 114.58 119.80 2onk h GLU 149 Ca -0.10 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2onk h GLU 149 Cb 0.74 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2onk h GLU 149 CO 0.16 0.00 -0.08 0.78 -1.00 0.00 0.00 179.01 178.87 2onk h GLY 150 N 0.00 -0.23 0.55 -3.84 0.00 -0.73 -1.16 103.07 97.66 2onk h GLY 150 Ca 0.55 0.09 0.15 0.00 0.00 0.00 0.00 47.33 48.12 2onk h GLY 150 CO -0.01 -0.09 0.56 0.74 0.00 0.00 0.00 176.54 177.74 2onk h PHE 151 N -0.24 0.71 -0.09 5.60 -1.00 -0.76 0.19 116.94 121.34 2onk h PHE 151 Ca -0.02 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2onk h PHE 151 Cb 0.17 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2onk h PHE 151 CO 0.17 0.26 0.02 0.00 -1.61 0.00 0.00 178.31 177.15 2onk h ALA 152 N 1.61 1.87 0.00 2.45 0.00 -0.38 -2.19 119.26 122.63 2onk h ALA 152 Ca 0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2onk h ALA 152 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2onk h ALA 152 CO -0.18 0.11 -0.22 0.66 0.00 0.00 0.00 179.25 179.62 2onk h SER 153 N 0.12 0.00 -3.08 0.00 4.64 0.68 -3.44 113.55 112.47 2onk h SER 153 Ca 0.03 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.80 2onk h SER 153 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2onk h SER 153 CO -0.00 0.22 0.71 -0.69 -0.87 0.00 0.00 176.83 176.20 2onk s VAL 154 N -3.55 4.28 -0.16 0.95 1.01 -0.83 -4.96 120.40 117.16 2onk s VAL 154 Ca 0.01 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 2onk s VAL 154 Cb 0.09 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2onk s VAL 154 CO 0.64 -0.01 2.11 -0.62 0.00 0.00 0.00 175.10 177.22 2onk s ASP 155 N 1.50 5.76 0.36 3.32 -1.08 -1.26 -4.85 116.67 120.41 2onk s ASP 155 Ca 0.55 2.04 0.17 0.00 -0.52 0.00 0.00 52.55 54.79 2onk s ASP 155 Cb -0.24 -2.52 1.14 0.00 -1.46 0.00 0.00 42.92 39.84 2onk s ASP 155 CO 0.21 -1.69 1.66 0.58 0.52 0.00 0.00 175.17 176.45 2onk h VAL 156 N 6.71 0.28 -0.77 1.11 2.07 -1.93 0.36 116.25 124.09 2onk h VAL 156 Ca -0.42 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.12 2onk h VAL 156 Cb 1.23 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 2onk h VAL 156 CO 0.96 0.05 0.35 0.03 0.02 0.00 0.00 177.57 178.99 2onk h ARG 157 N 0.29 0.52 -0.88 1.57 3.08 -1.98 0.25 114.38 117.23 2onk h ARG 157 Ca 0.74 -0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.97 2onk h ARG 157 Cb 1.78 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 31.59 2onk h ARG 157 CO -0.57 0.34 0.37 -0.07 -1.07 0.00 0.00 179.97 178.98 2onk h LEU 158 N 0.54 0.31 -0.28 3.04 3.38 -0.65 0.69 115.31 122.34 2onk h LEU 158 Ca 0.41 0.15 -0.19 0.00 0.09 0.00 0.00 57.88 58.33 2onk h LEU 158 Cb 0.56 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2onk h LEU 158 CO -0.35 0.01 -0.61 -0.33 0.09 0.00 0.00 178.44 177.24 2onk h GLU 159 N 0.40 0.84 0.27 1.13 5.08 -0.66 -1.75 114.58 119.88 2onk h GLU 159 Ca 0.54 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2onk h GLU 159 Cb 1.01 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2onk h GLU 159 CO -0.52 1.20 -0.26 0.45 -1.00 0.00 0.00 179.01 178.87 2onk h HIS 160 N 0.62 -0.70 -0.42 4.33 3.86 0.14 -1.77 115.15 121.22 2onk h HIS 160 Ca -0.00 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2onk h HIS 160 Cb 1.22 0.27 -0.07 0.00 1.06 0.00 0.00 27.41 29.90 2onk h HIS 160 CO 0.07 -0.38 0.03 0.28 0.86 0.00 0.00 177.93 178.79 2onk h VAL 161 N -0.56 0.71 -0.91 2.45 2.07 0.18 0.52 116.25 120.71 2onk h VAL 161 Ca -0.01 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2onk h VAL 161 Cb 0.52 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2onk h VAL 161 CO -0.05 0.03 0.58 0.00 0.02 0.00 0.00 177.57 178.15 2onk h ALA 162 N 1.36 1.84 -0.02 1.67 0.00 -0.89 0.47 119.26 123.69 2onk h ALA 162 Ca 0.21 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 2onk h ALA 162 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2onk h ALA 162 CO -0.32 -0.11 -0.92 0.00 0.00 0.00 0.00 179.25 177.91 2onk h ARG 163 N 0.68 0.47 -0.68 0.00 3.08 -0.35 -2.67 114.38 114.90 2onk h ARG 163 Ca 0.47 -0.48 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2onk h ARG 163 Cb 0.78 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 2onk h ARG 163 CO -0.22 1.12 0.33 1.15 -1.07 0.00 0.00 179.97 181.28 2onk h THR 164 N 0.28 0.85 0.00 2.04 2.02 0.18 0.30 112.91 118.57 2onk h THR 164 Ca -0.08 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2onk h THR 164 Cb 1.54 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2onk h THR 164 CO 0.16 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.34 2onk n LEU 165 N -4.88 1.91 -3.00 2.58 4.77 0.12 -4.80 117.00 113.70 2onk n LEU 165 Ca 0.10 -0.95 -0.07 0.00 -0.03 0.00 0.00 56.01 55.05 2onk n LEU 165 Cb 0.26 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2onk n LEU 165 CO 0.25 0.35 0.16 0.61 -1.33 0.00 0.00 177.39 177.43 2onk n GLY 166 N 0.38 -1.05 2.83 -0.72 0.00 0.10 -5.04 105.19 101.70 2onk n GLY 166 Ca 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 2onk n GLY 166 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2onk s SER 167 N -3.15 1.45 0.87 1.61 0.15 -1.01 -4.99 113.70 108.64 2onk s SER 167 Ca 0.22 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 2onk s SER 167 Cb -0.03 -0.50 0.11 0.00 -1.71 0.00 0.00 66.02 63.89 2onk s SER 167 CO 0.67 -0.13 1.13 -1.54 1.20 0.00 0.00 173.24 174.56 2onk n SER 168 N 4.72 0.48 -0.32 5.45 3.41 -1.26 -4.14 113.62 121.96 2onk n SER 168 Ca -0.14 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 2onk n SER 168 Cb 0.50 -1.47 0.27 0.00 -0.26 0.00 0.00 64.21 63.25 2onk n SER 168 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2onk h PRO 169 N -1.46 0.62 -0.44 4.33 0.11 -1.99 0.28 132.00 133.45 2onk h PRO 169 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2onk h PRO 169 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2onk h PRO 169 CO 0.43 0.41 0.26 1.25 -0.21 0.00 0.00 178.00 180.14 2onk h LEU 170 N 0.64 0.53 0.64 2.35 5.85 -2.00 -1.42 115.31 121.90 2onk h LEU 170 Ca 0.52 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.16 2onk h LEU 170 Cb 0.81 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2onk h LEU 170 CO -0.40 0.44 -0.40 0.03 -0.34 0.00 0.00 178.44 177.76 2onk h ARG 171 N 0.58 -0.95 -0.92 1.25 3.08 -0.88 -2.91 114.38 113.63 2onk h ARG 171 Ca 0.16 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.43 2onk h ARG 171 Cb 0.01 0.22 -0.16 0.00 0.08 0.00 0.00 29.97 30.11 2onk h ARG 171 CO -0.03 -0.63 -0.34 0.28 -1.07 0.00 0.00 179.97 178.18 2onk h VAL 172 N -0.98 0.04 -0.45 2.04 2.07 -0.83 -0.89 116.25 117.25 2onk h VAL 172 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2onk h VAL 172 Cb 0.79 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 2onk h VAL 172 CO 0.08 0.00 -0.37 0.15 0.02 0.00 0.00 177.57 177.45 2onk h PHE 173 N -0.03 -1.06 0.00 1.57 3.57 -1.07 1.00 116.94 120.92 2onk h PHE 173 Ca 0.36 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2onk h PHE 173 Cb 0.61 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2onk h PHE 173 CO -0.80 -0.41 0.00 0.74 -2.23 0.00 0.00 178.31 175.61 2onk h PHE 174 N -0.26 0.00 0.00 0.41 -1.00 -1.17 0.29 116.94 115.21 2onk h PHE 174 Ca 0.17 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.73 2onk h PHE 174 Cb 0.56 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 2onk h PHE 174 CO -0.60 0.00 -2.07 0.25 -1.61 0.00 0.00 178.31 174.28 2onk n THR 175 N -2.97 0.85 0.00 -1.55 -2.24 -0.42 -4.25 114.28 103.70 2onk n THR 175 Ca 0.04 -0.64 -0.01 0.00 -2.27 0.00 0.00 64.05 61.17 2onk n THR 175 Cb 0.49 -0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2onk n THR 175 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2onk n VAL 176 N -2.49 0.42 0.00 2.28 0.31 0.34 -4.71 118.33 114.48 2onk n VAL 176 Ca -0.21 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2onk n VAL 176 Cb 0.90 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 2onk n VAL 176 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2onk n SER 177 N -2.92 0.00 -0.03 4.52 7.64 -0.99 -2.42 113.62 119.41 2onk n SER 177 Ca -0.02 0.69 -0.02 0.00 1.01 0.00 0.00 58.87 60.53 2onk n SER 177 Cb 0.06 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 2onk n SER 177 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2onk h LEU 178 N 0.00 -0.32 -1.92 -3.43 4.07 -0.67 -1.86 115.31 111.18 2onk h LEU 178 Ca 0.00 0.04 0.39 0.00 0.08 0.00 0.00 57.88 58.39 2onk h LEU 178 Cb 0.00 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.81 2onk h LEU 178 CO 0.00 -0.06 0.96 1.55 -1.08 0.00 0.00 178.44 179.81 2onk h PRO 179 N -0.06 0.03 0.00 1.13 0.13 -1.74 0.37 132.00 131.87 2onk h PRO 179 Ca 0.01 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.94 2onk h PRO 179 Cb 0.09 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.19 2onk h PRO 179 CO -0.11 0.02 -0.98 -0.07 -0.23 0.00 0.00 178.00 176.64 2onk h LEU 180 N 0.03 0.00 -2.69 1.56 3.38 -1.01 -3.25 115.31 113.33 2onk h LEU 180 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 2onk h LEU 180 Cb 2.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.30 2onk h LEU 180 CO -0.05 0.97 0.00 -1.54 0.09 0.00 0.00 178.44 177.91 2onk n SER 181 N -3.34 3.87 -0.14 -0.43 3.41 0.11 -4.57 113.62 112.54 2onk n SER 181 Ca -0.00 -2.00 -0.04 0.00 -0.26 0.00 0.00 58.87 56.57 2onk n SER 181 Cb 0.93 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2onk n SER 181 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2onk h VAL 182 N 4.28 0.45 0.00 -3.33 2.07 -1.16 0.37 116.25 118.92 2onk h VAL 182 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2onk h VAL 182 Cb 0.99 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2onk h VAL 182 CO 0.00 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 2onk n ARG 183 N -5.37 0.01 -0.08 1.57 0.63 -1.26 -0.45 116.66 111.71 2onk n ARG 183 Ca 0.03 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.86 2onk n ARG 183 Cb 0.28 -1.47 -0.07 0.00 0.45 0.00 0.00 32.46 31.64 2onk n ARG 183 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2onk n HIS 184 N -0.97 0.00 -0.15 -0.14 8.25 0.12 -3.65 115.22 118.68 2onk n HIS 184 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2onk n HIS 184 Cb 0.00 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.51 2onk n HIS 184 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2onk h ILE 185 N 0.00 1.17 0.05 1.59 2.04 0.13 0.49 117.51 122.97 2onk h ILE 185 Ca -0.35 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2onk h ILE 185 Cb 1.56 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2onk h ILE 185 CO -0.05 0.18 -0.02 0.58 0.00 0.00 0.00 178.15 178.84 2onk h VAL 186 N 0.58 1.00 -0.08 1.67 2.07 -0.98 0.14 116.25 120.66 2onk h VAL 186 Ca 0.16 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2onk h VAL 186 Cb 0.07 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2onk h VAL 186 CO -0.02 0.04 0.01 0.00 0.02 0.00 0.00 177.57 177.62 2onk h ALA 187 N 0.82 0.08 -0.71 1.67 0.00 -1.57 -0.22 119.26 119.33 2onk h ALA 187 Ca -0.01 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2onk h ALA 187 Cb 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 2onk h ALA 187 CO 0.01 -0.45 0.30 0.78 0.00 0.00 0.00 179.25 179.89 2onk h GLY 188 N 0.05 1.06 0.92 0.00 0.00 0.20 0.11 103.07 105.42 2onk h GLY 188 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2onk h GLY 188 CO -0.05 -0.03 -0.28 0.00 0.00 0.00 0.00 176.54 176.17 2onk h ALA 189 N 1.49 -0.79 -0.94 3.60 0.00 -0.15 -0.97 119.26 121.49 2onk h ALA 189 Ca 0.37 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.31 2onk h ALA 189 Cb 0.50 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 2onk h ALA 189 CO -0.34 -0.90 0.49 0.82 0.00 0.00 0.00 179.25 179.32 2onk h ILE 190 N -0.88 0.55 -0.51 0.00 2.04 -0.32 0.41 117.51 118.81 2onk h ILE 190 Ca -0.08 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 2onk h ILE 190 Cb 0.64 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2onk h ILE 190 CO 0.13 0.10 -0.08 0.24 0.00 0.00 0.00 178.15 178.54 2onk h MET 191 N 0.53 0.92 0.00 2.37 2.86 -0.45 -1.37 114.93 119.80 2onk h MET 191 Ca 0.58 -0.31 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 2onk h MET 191 Cb 1.05 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2onk h MET 191 CO -0.47 0.96 -0.44 0.66 1.06 0.00 0.00 176.91 178.67 2onk h SER 192 N 0.83 0.00 -0.11 1.22 4.64 0.40 -2.16 113.55 118.37 2onk h SER 192 Ca 0.14 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2onk h SER 192 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2onk h SER 192 CO 0.04 0.44 -0.17 -0.25 -0.87 0.00 0.00 176.83 176.02 2onk h TRP 193 N 0.00 0.38 -0.21 4.77 7.01 -0.76 -1.80 115.95 125.34 2onk h TRP 193 Ca -0.00 -0.13 0.06 0.00 2.11 0.00 0.00 58.89 60.93 2onk h TRP 193 Cb 0.88 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 2onk h TRP 193 CO 0.00 0.77 0.15 0.00 -2.79 0.00 0.00 178.44 176.57 2onk h ALA 194 N 0.54 2.16 0.03 2.65 0.00 -1.00 -1.34 119.26 122.30 2onk h ALA 194 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2onk h ALA 194 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2onk h ALA 194 CO 0.04 -0.26 -0.01 -0.09 0.00 0.00 0.00 179.25 178.93 2onk h ARG 195 N 0.00 -0.03 -0.03 0.00 9.65 -1.09 -2.55 114.38 120.33 2onk h ARG 195 Ca 0.10 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2onk h ARG 195 Cb 0.40 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 2onk h ARG 195 CO -0.00 0.54 -0.16 0.78 2.80 0.00 0.00 179.97 183.94 2onk h GLY 196 N -0.64 -0.18 -0.19 2.80 0.00 -0.78 -1.93 103.07 102.15 2onk h GLY 196 Ca -0.00 0.19 0.17 0.00 0.00 0.00 0.00 47.33 47.68 2onk h GLY 196 CO 0.01 -0.15 0.14 -2.22 0.00 0.00 0.00 176.54 174.31 2onk h ILE 197 N -0.25 0.45 0.00 2.60 2.04 -1.33 -1.64 117.51 119.38 2onk h ILE 197 Ca 0.06 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2onk h ILE 197 Cb 0.33 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2onk h ILE 197 CO -0.17 0.04 0.00 -1.20 0.00 0.00 0.00 178.15 176.82 2onk n SER 198 N -5.21 0.29 -4.77 1.72 7.64 -0.79 -4.71 113.62 107.79 2onk n SER 198 Ca 0.15 0.54 -0.40 0.00 1.01 0.00 0.00 58.87 60.17 2onk n SER 198 Cb 0.49 -0.61 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2onk n SER 198 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2onk s GLU 199 N -3.06 3.99 0.00 1.43 2.56 -0.62 -4.95 118.70 118.05 2onk s GLU 199 Ca 0.11 2.18 0.00 0.00 0.00 0.00 0.00 54.97 57.26 2onk s GLU 199 Cb 0.15 -2.78 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2onk s GLU 199 CO 0.50 -0.49 0.00 0.34 -0.56 0.00 0.00 175.26 175.05 2onk n PHE 200 N 0.17 0.00 -0.10 5.30 7.35 -1.26 -4.69 117.46 124.23 2onk n PHE 200 Ca 0.03 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.70 2onk n PHE 200 Cb 0.43 0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.31 2onk n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2onk n GLY 201 N 2.48 -2.67 0.30 7.13 0.00 -1.26 -0.98 105.19 110.19 2onk n GLY 201 Ca 0.00 0.67 0.11 0.00 0.00 0.00 0.00 46.02 46.80 2onk n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2onk h ALA 202 N -0.54 1.31 0.28 4.61 0.00 -1.85 -3.04 119.26 120.04 2onk h ALA 202 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2onk h ALA 202 Cb 0.10 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2onk h ALA 202 CO -0.22 -0.32 -0.13 0.28 0.00 0.00 0.00 179.25 178.85 2onk h VAL 203 N 0.38 0.00 -0.68 0.00 2.07 -1.42 -3.32 116.25 113.28 2onk h VAL 203 Ca 0.52 -0.17 0.16 0.00 0.82 0.00 0.00 66.70 68.03 2onk h VAL 203 Cb 0.95 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 2onk h VAL 203 CO -0.52 0.00 -0.09 1.33 0.02 0.00 0.00 177.57 178.32 2onk n VAL 204 N -3.47 -0.29 0.58 2.57 0.24 -0.16 0.18 118.33 117.99 2onk n VAL 204 Ca -0.05 1.54 0.06 0.00 -2.04 0.00 0.00 64.34 63.85 2onk n VAL 204 Cb 0.15 -2.18 0.32 0.00 -1.47 0.00 0.00 33.84 30.65 2onk n VAL 204 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2onk n VAL 205 N -5.03 0.71 -0.07 3.34 0.24 -1.19 -2.33 118.33 114.00 2onk n VAL 205 Ca 0.13 0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.52 2onk n VAL 205 Cb 0.43 -0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 2onk n VAL 205 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2onk n ILE 206 N -1.31 0.80 -3.30 1.34 5.41 0.47 -4.87 119.36 117.90 2onk n ILE 206 Ca 0.06 -0.35 -0.10 0.00 1.00 0.00 0.00 62.75 63.36 2onk n ILE 206 Cb 0.11 -0.93 -0.05 0.00 -0.71 0.00 0.00 39.64 38.06 2onk n ILE 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2onk s ALA 207 N -2.28 -1.21 0.10 -1.39 0.00 -0.60 -0.35 121.76 116.03 2onk s ALA 207 Ca -0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 2onk s ALA 207 Cb 0.05 -2.32 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 2onk s ALA 207 CO 0.36 -2.15 1.44 -0.92 0.00 0.00 0.00 175.76 174.49 2onk h TYR 208 N 7.08 0.79 0.00 0.00 -0.00 -1.70 -3.40 116.97 119.74 2onk h TYR 208 Ca 0.04 -0.22 -0.07 0.00 -0.00 0.00 0.00 58.73 58.49 2onk h TYR 208 Cb 1.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.65 2onk h TYR 208 CO 0.26 0.93 -0.37 -0.92 -0.00 0.00 0.00 178.16 178.06 2onk h TYR 209 N 0.42 0.01 -0.50 -3.82 3.20 -1.90 -3.34 116.97 111.04 2onk h TYR 209 Ca 0.06 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.74 2onk h TYR 209 Cb 0.76 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2onk h TYR 209 CO 0.07 1.14 0.48 -1.25 -1.64 0.00 0.00 178.16 176.96 2onk s PRO 210 N -2.26 2.08 0.26 1.82 0.04 -1.26 -4.69 135.00 130.99 2onk s PRO 210 Ca -0.22 -0.18 -0.11 0.00 0.04 0.00 0.00 61.00 60.53 2onk s PRO 210 Cb -0.00 -4.99 -0.07 0.00 0.04 0.00 0.00 34.50 29.47 2onk s PRO 210 CO 0.67 -4.05 0.60 0.00 0.04 0.00 0.00 177.00 174.26 2onk s MET 211 N 7.70 3.84 -0.01 4.56 0.23 -1.25 -4.92 119.30 129.44 2onk s MET 211 Ca 0.78 0.36 0.02 0.00 -1.03 0.00 0.00 55.69 55.82 2onk s MET 211 Cb -0.08 -2.58 -0.03 0.00 -1.53 0.00 0.00 34.83 30.61 2onk s MET 211 CO 0.06 0.25 -0.03 0.42 -2.03 0.00 0.00 175.02 173.70 2onk s ILE 212 N -1.90 3.95 0.38 3.16 1.01 -1.26 -4.57 121.20 121.98 2onk s ILE 212 Ca 0.49 -0.65 0.28 0.00 0.00 0.00 0.00 60.65 60.77 2onk s ILE 212 Cb -0.11 -2.74 0.43 0.00 0.01 0.00 0.00 42.46 40.05 2onk s ILE 212 CO 0.21 0.40 1.38 0.00 0.00 0.00 0.00 174.94 176.93 2onk n ALA 213 N 1.51 1.18 -0.19 9.38 0.00 -1.26 0.61 120.51 131.74 2onk n ALA 213 Ca -0.15 0.78 -0.06 0.00 0.00 0.00 0.00 53.44 54.01 2onk n ALA 213 Cb 0.53 -0.93 0.09 0.00 0.00 0.00 0.00 19.45 19.13 2onk n ALA 213 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2onk h PRO 214 N 0.00 0.99 0.34 0.00 0.11 -1.84 -2.88 132.00 128.71 2onk h PRO 214 Ca 0.78 -0.26 -0.02 0.00 0.11 0.00 0.00 66.00 66.61 2onk h PRO 214 Cb 2.46 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 33.46 2onk h PRO 214 CO -0.44 0.93 -0.16 1.15 -0.21 0.00 0.00 178.00 179.27 2onk h THR 215 N 0.93 0.56 -1.22 -1.15 2.02 -0.16 -2.59 112.91 111.29 2onk h THR 215 Ca 0.18 -0.68 0.37 0.00 0.77 0.00 0.00 66.41 67.05 2onk h THR 215 Cb 0.44 0.85 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 2onk h THR 215 CO 0.01 0.11 0.79 0.25 0.37 0.00 0.00 175.52 177.06 2onk h LEU 216 N -0.89 0.30 -0.07 2.58 5.85 -1.53 0.71 115.31 122.26 2onk h LEU 216 Ca -0.05 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2onk h LEU 216 Cb 0.53 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2onk h LEU 216 CO 0.08 -0.06 -0.27 0.40 -0.34 0.00 0.00 178.44 178.24 2onk h ILE 217 N 0.20 1.42 -0.57 4.05 2.04 -1.46 -2.48 117.51 120.71 2onk h ILE 217 Ca 0.72 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.94 2onk h ILE 217 Cb 2.16 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 40.50 2onk h ILE 217 CO -0.33 0.48 0.35 0.22 0.00 0.00 0.00 178.15 178.86 2onk h TYR 218 N -0.18 0.65 0.50 1.37 3.20 0.61 0.19 116.97 123.31 2onk h TYR 218 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2onk h TYR 218 Cb 0.91 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2onk h TYR 218 CO 0.13 0.38 -0.37 1.49 -1.64 0.00 0.00 178.16 178.14 2onk h GLU 219 N 0.69 -0.82 -0.57 1.82 4.81 -0.36 -0.87 114.58 119.28 2onk h GLU 219 Ca 0.23 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 2onk h GLU 219 Cb 0.01 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2onk h GLU 219 CO -0.09 -0.55 0.38 0.00 -0.73 0.00 0.00 179.01 178.02 2onk h ARG 220 N -0.85 0.60 -0.35 1.92 3.08 -1.12 0.62 114.38 118.27 2onk h ARG 220 Ca -0.05 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2onk h ARG 220 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2onk h ARG 220 CO 0.02 0.39 0.23 -0.92 -1.07 0.00 0.00 179.97 178.62 2onk h TYR 221 N 0.61 0.43 -0.06 3.04 3.20 0.04 0.68 116.97 124.91 2onk h TYR 221 Ca 0.24 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.95 2onk h TYR 221 Cb 0.17 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.31 2onk h TYR 221 CO -0.00 0.27 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.11 2onk h LEU 222 N 0.46 0.64 -0.04 2.82 3.38 0.10 -0.64 115.31 122.04 2onk h LEU 222 Ca 0.13 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2onk h LEU 222 Cb -0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2onk h LEU 222 CO -0.04 1.24 -0.00 0.28 0.09 0.00 0.00 178.44 180.01 2onk h SER 223 N 0.10 0.07 -0.00 -0.43 0.02 0.25 -3.38 113.55 110.18 2onk h SER 223 Ca -0.06 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2onk h SER 223 Cb 1.28 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2onk h SER 223 CO 0.12 0.40 -0.04 -0.62 -1.14 0.00 0.00 176.83 175.55 2onk n GLU 224 N -4.87 0.96 0.00 3.45 1.02 0.20 -5.06 120.64 116.35 2onk n GLU 224 Ca -0.07 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 2onk n GLU 224 Cb 0.20 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2onk n GLU 224 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2onk n GLY 225 N 0.44 -4.01 0.32 0.62 0.00 -0.25 -4.49 105.19 97.83 2onk n GLY 225 Ca 0.02 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 2onk n GLY 225 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2onk h LEU 226 N 0.00 -0.70 -0.60 0.99 5.85 -1.86 -2.94 115.31 116.05 2onk h LEU 226 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2onk h LEU 226 Cb 0.00 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2onk h LEU 226 CO 0.00 -0.50 0.31 -1.20 -0.34 0.00 0.00 178.44 176.71 2onk n SER 227 N -4.22 0.23 -0.04 1.25 7.64 -1.26 0.65 113.62 117.87 2onk n SER 227 Ca -0.10 0.47 0.11 0.00 1.01 0.00 0.00 58.87 60.36 2onk n SER 227 Cb 0.32 -0.41 0.09 0.00 -1.01 0.00 0.00 64.21 63.20 2onk n SER 227 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2onk n ALA 228 N -1.47 4.02 -0.07 -0.43 0.00 -1.11 -4.30 120.51 117.15 2onk n ALA 228 Ca -0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 2onk n ALA 228 Cb 0.33 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 2onk n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2onk n ALA 229 N -1.36 1.67 -0.33 0.00 0.00 0.21 -4.64 120.51 116.05 2onk n ALA 229 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 53.44 52.68 2onk n ALA 229 Cb 0.34 0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.86 2onk n ALA 229 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2onk h MET 230 N 0.00 -0.03 -0.25 0.00 2.86 -1.60 0.36 114.93 116.27 2onk h MET 230 Ca -0.35 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.35 2onk h MET 230 Cb 1.74 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 33.33 2onk h MET 230 CO -0.00 -0.02 -0.35 -1.35 1.06 0.00 0.00 176.91 176.25 2onk h PRO 231 N -0.03 -0.34 -0.68 -0.22 0.11 -1.82 0.72 132.00 129.73 2onk h PRO 231 Ca 0.34 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.51 2onk h PRO 231 Cb 0.60 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 2onk h PRO 231 CO -0.92 -0.23 0.45 0.28 -0.21 0.00 0.00 178.00 177.37 2onk h VAL 232 N -0.36 1.11 0.34 3.15 2.07 -1.37 0.53 116.25 121.72 2onk h VAL 232 Ca 0.12 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2onk h VAL 232 Cb 0.56 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2onk h VAL 232 CO -0.45 0.15 -0.22 0.00 0.02 0.00 0.00 177.57 177.08 2onk h ALA 233 N 1.60 -1.05 -0.95 1.67 0.00 0.69 0.12 119.26 121.33 2onk h ALA 233 Ca 0.27 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.32 2onk h ALA 233 Cb 0.03 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 2onk h ALA 233 CO -0.07 -1.04 0.47 0.00 0.00 0.00 0.00 179.25 178.61 2onk h ALA 234 N -1.57 1.65 -0.13 0.00 0.00 -0.51 0.71 119.26 119.42 2onk h ALA 234 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2onk h ALA 234 Cb 0.42 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2onk h ALA 234 CO 0.04 -0.40 0.08 0.82 0.00 0.00 0.00 179.25 179.78 2onk h ILE 235 N 0.40 1.05 -0.83 0.00 2.04 -0.64 -0.21 117.51 119.32 2onk h ILE 235 Ca 0.63 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.33 2onk h ILE 235 Cb 1.28 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2onk h ILE 235 CO -0.56 0.05 0.37 -0.07 0.00 0.00 0.00 178.15 177.94 2onk h LEU 236 N 0.15 1.12 0.01 1.44 3.38 0.22 0.73 115.31 122.36 2onk h LEU 236 Ca 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2onk h LEU 236 Cb 0.01 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2onk h LEU 236 CO -0.01 0.96 -0.01 0.40 0.09 0.00 0.00 178.44 179.87 2onk h ILE 237 N 1.20 0.00 -0.76 1.22 2.04 0.19 -0.91 117.51 120.49 2onk h ILE 237 Ca 0.28 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.32 2onk h ILE 237 Cb 0.16 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.11 2onk h ILE 237 CO -0.03 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 178.08 2onk h LEU 238 N -0.02 -0.31 -1.64 1.44 3.38 -0.98 0.65 115.31 117.85 2onk h LEU 238 Ca -0.00 0.19 0.22 0.00 0.09 0.00 0.00 57.88 58.38 2onk h LEU 238 Cb 0.02 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2onk h LEU 238 CO 0.00 -0.17 0.60 0.25 0.09 0.00 0.00 178.44 179.21 2onk h LEU 239 N 0.12 0.30 0.02 1.67 6.46 0.66 -1.71 115.31 122.82 2onk h LEU 239 Ca 0.42 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 58.14 2onk h LEU 239 Cb 0.74 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2onk h LEU 239 CO -0.65 0.12 -0.39 0.28 -0.62 0.00 0.00 178.44 177.17 2onk h SER 240 N 0.30 0.06 -0.84 1.25 0.02 0.17 -3.06 113.55 111.44 2onk h SER 240 Ca 0.46 -0.89 0.20 0.00 -0.84 0.00 0.00 61.79 60.72 2onk h SER 240 Cb 1.30 -0.02 -0.15 0.00 0.14 0.00 0.00 62.40 63.67 2onk h SER 240 CO -0.14 1.16 0.03 -0.07 -1.14 0.00 0.00 176.83 176.68 2onk h LEU 241 N -0.92 -0.35 0.47 5.07 3.38 -0.53 0.41 115.31 122.84 2onk h LEU 241 Ca -0.10 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2onk h LEU 241 Cb 1.15 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2onk h LEU 241 CO -0.03 -0.22 -0.27 0.00 0.09 0.00 0.00 178.44 178.01 2onk h ALA 242 N 1.79 -1.13 -1.05 1.53 0.00 -1.46 0.10 119.26 119.05 2onk h ALA 242 Ca 0.48 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.51 2onk h ALA 242 Cb 0.89 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2onk h ALA 242 CO -0.74 -1.10 0.68 0.28 0.00 0.00 0.00 179.25 178.37 2onk h VAL 243 N -0.69 0.52 0.05 0.00 2.07 -1.18 0.19 116.25 117.21 2onk h VAL 243 Ca -0.06 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 67.08 2onk h VAL 243 Cb 0.54 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2onk h VAL 243 CO 0.08 0.07 -1.34 -0.26 0.02 0.00 0.00 177.57 176.13 2onk h PHE 244 N 0.36 0.20 -0.41 1.57 -1.00 -0.86 -2.69 116.94 114.10 2onk h PHE 244 Ca 0.59 -0.14 0.04 0.00 2.81 0.00 0.00 57.97 61.27 2onk h PHE 244 Cb 1.56 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.09 2onk h PHE 244 CO -0.00 1.53 0.28 0.28 -1.61 0.00 0.00 178.31 178.78 2onk h VAL 245 N -0.64 0.99 0.60 -0.55 2.07 -0.58 0.12 116.25 118.27 2onk h VAL 245 Ca -0.33 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2onk h VAL 245 Cb 1.53 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2onk h VAL 245 CO -0.08 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 177.30 2onk h ALA 246 N 1.77 -0.80 -0.83 1.67 0.00 -0.73 -0.65 119.26 119.68 2onk h ALA 246 Ca 0.17 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2onk h ALA 246 Cb 0.22 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2onk h ALA 246 CO -0.04 -0.94 0.54 -0.07 0.00 0.00 0.00 179.25 178.74 2onk h LEU 247 N -0.82 0.70 -0.48 0.00 3.38 -0.80 -1.65 115.31 115.64 2onk h LEU 247 Ca -0.08 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2onk h LEU 247 Cb 0.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2onk h LEU 247 CO 0.13 0.41 -0.16 0.03 0.09 0.00 0.00 178.44 178.94 2onk h ARG 248 N 0.77 0.95 0.00 1.13 3.08 -0.50 -2.19 114.38 117.63 2onk h ARG 248 Ca 0.39 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2onk h ARG 248 Cb 0.47 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2onk h ARG 248 CO -0.16 1.05 0.00 -0.89 -1.07 0.00 0.00 179.97 178.90 2onk n ILE 249 N -4.18 0.94 -1.24 2.04 5.41 -0.28 -0.37 119.36 121.69 2onk n ILE 249 Ca 0.00 0.24 -0.05 0.00 1.00 0.00 0.00 62.75 63.94 2onk n ILE 249 Cb 0.42 -0.98 0.23 0.00 -0.71 0.00 0.00 39.64 38.60 2onk n ILE 249 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2onk n ILE 250 N -1.53 2.68 -0.44 1.39 5.41 -0.78 -4.42 119.36 121.67 2onk n ILE 250 Ca 0.04 -2.21 0.00 0.00 1.00 0.00 0.00 62.75 61.58 2onk n ILE 250 Cb 0.18 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 2onk n ILE 250 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2onk n VAL 251 N -0.81 0.00 -0.77 1.39 0.31 -0.72 -5.01 118.33 112.72 2onk n VAL 251 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2onk n VAL 251 Cb 1.18 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 2onk n VAL 251 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12