#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 -2.85 114.38 114.68 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 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.79 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 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2onk h LEU 3 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2onk h LEU 3 CO 0.01 0.10 -0.06 -0.07 0.09 0.00 0.00 178.44 178.52 2onk h LEU 4 N 0.00 1.06 0.19 1.67 3.38 -1.92 0.56 115.31 120.25 2onk h LEU 4 Ca -0.00 -0.33 -0.32 0.00 0.09 0.00 0.00 57.88 57.32 2onk h LEU 4 Cb 0.33 -0.29 0.02 0.00 0.09 0.00 0.00 40.66 40.81 2onk h LEU 4 CO 0.01 1.13 -1.45 0.15 0.09 0.00 0.00 178.44 178.38 2onk h PHE 5 N 0.96 0.74 0.00 1.13 3.57 -1.51 0.14 116.94 121.97 2onk h PHE 5 Ca 0.16 -0.54 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 2onk h PHE 5 Cb 0.63 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2onk h PHE 5 CO 0.04 1.47 -0.17 1.03 -2.23 0.00 0.00 178.31 178.45 2onk h SER 6 N 0.11 0.00 0.12 0.41 0.87 -0.40 -1.84 113.55 112.83 2onk h SER 6 Ca -0.23 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.97 2onk h SER 6 Cb 2.09 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 64.00 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 -0.16 6.23 0.00 0.20 -2.95 120.51 122.80 2onk n ALA 7 Ca -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.53 2onk n ALA 7 Cb 0.32 -0.45 0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.19 -0.22 0.00 5.85 -0.53 1.56 115.31 121.82 2onk h LEU 8 Ca -0.47 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2onk h LEU 8 Cb 2.01 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 43.24 2onk h LEU 8 CO 0.02 -0.06 0.00 -0.07 -0.34 0.00 0.00 178.44 177.99 2onk h LEU 9 N 0.13 0.37 -0.98 2.25 3.38 -1.50 -1.33 115.31 117.63 2onk h LEU 9 Ca 0.26 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2onk h LEU 9 Cb 0.38 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2onk h LEU 9 CO -0.41 0.59 0.60 0.00 0.09 0.00 0.00 178.44 179.31 2onk h ALA 10 N 0.80 1.24 0.72 1.53 0.00 -1.11 -1.23 119.26 121.21 2onk h ALA 10 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2onk h ALA 10 Cb 0.39 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2onk h ALA 10 CO 0.01 0.67 -0.35 1.25 0.00 0.00 0.00 179.25 180.83 2onk h LEU 11 N 1.32 -0.82 -0.79 0.00 5.85 0.23 -0.80 115.31 120.31 2onk h LEU 11 Ca 0.35 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.27 2onk h LEU 11 Cb -0.09 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 2onk h LEU 11 CO -0.07 -0.45 0.24 -0.07 -0.34 0.00 0.00 178.44 177.75 2onk h LEU 12 N -1.25 0.10 -0.89 2.25 3.38 -1.19 -0.26 115.31 117.45 2onk h LEU 12 Ca -0.10 0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2onk h LEU 12 Cb 0.74 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2onk h LEU 12 CO 0.16 -0.03 -0.55 0.77 0.09 0.00 0.00 178.44 178.88 2onk h SER 13 N 0.31 0.00 0.84 -0.43 4.64 -1.21 -2.61 113.55 115.09 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 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2onk h SER 13 CO -0.52 0.55 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 2onk n SER 14 N -3.87 0.22 0.01 4.97 3.41 -0.17 -2.84 113.62 115.35 2onk n SER 14 Ca -0.01 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.13 2onk n SER 14 Cb 0.56 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.15 -1.33 1.08 -0.98 -2.90 117.51 113.23 2onk h ILE 15 Ca 0.00 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 2onk h ILE 15 Cb 0.42 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 2onk h ILE 15 CO 0.00 0.00 0.36 0.40 -0.69 0.00 0.00 178.15 178.22 2onk h ILE 16 N -0.17 0.15 -0.32 -0.67 5.03 -1.63 0.74 117.51 120.65 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 0.68 -0.00 0.00 -3.03 0.00 0.00 36.82 34.50 2onk h ILE 16 CO 0.01 0.00 -0.48 -0.07 -0.68 0.00 0.00 178.15 176.93 2onk h LEU 17 N 0.00 0.95 -0.18 1.44 3.38 -1.59 -1.28 115.31 118.04 2onk h LEU 17 Ca 0.07 -0.48 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 2onk h LEU 17 Cb 0.78 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2onk h LEU 17 CO -0.00 1.27 -0.58 -0.07 0.09 0.00 0.00 178.44 179.15 2onk h LEU 18 N 0.69 0.82 -0.39 1.67 3.38 0.59 -0.92 115.31 121.15 2onk h LEU 18 Ca 0.03 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.49 2onk h LEU 18 Cb 1.08 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 2onk h LEU 18 CO 0.11 1.28 -0.16 0.15 0.09 0.00 0.00 178.44 179.91 2onk h PHE 19 N 0.42 -0.38 0.00 1.13 3.57 -0.74 1.28 116.94 122.22 2onk h PHE 19 Ca -0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2onk h PHE 19 Cb 1.21 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.18 2onk h PHE 19 CO 0.09 -0.24 -0.00 0.28 -2.23 0.00 0.00 178.31 176.21 2onk h VAL 20 N -0.08 0.01 0.00 1.41 2.07 -1.22 -3.35 116.25 115.09 2onk h VAL 20 Ca 0.19 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2onk h VAL 20 Cb 0.38 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2onk h VAL 20 CO -0.45 0.00 -0.75 0.25 0.02 0.00 0.00 177.57 176.65 2onk h LEU 21 N 0.00 0.00 0.00 2.57 6.46 0.71 -3.40 115.31 121.65 2onk h LEU 21 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2onk h LEU 21 Cb 0.77 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2onk h LEU 21 CO 0.00 1.05 0.00 0.18 -0.62 0.00 0.00 178.44 179.05 2onk n LEU 22 N -4.55 0.00 0.00 2.25 4.77 0.41 -0.07 117.00 119.81 2onk n LEU 22 Ca -0.17 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2onk n LEU 22 Cb 0.43 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2onk n LEU 22 CO 0.15 -0.37 0.38 -0.81 -1.33 0.00 0.00 177.39 175.41 2onk n PRO 23 N -2.71 0.00 -0.35 3.23 -0.04 -1.26 0.11 135.00 133.98 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 -1.26 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 -1.84 -0.47 0.11 0.52 0.31 -1.10 -1.39 118.33 114.46 2onk n VAL 24 Ca 0.00 2.16 -0.07 0.00 -0.01 0.00 0.00 64.34 66.42 2onk n VAL 24 Cb 0.00 -2.87 -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 1.36 -0.89 -0.68 3.52 0.00 0.28 -3.04 119.26 119.81 2onk h ALA 25 Ca 0.34 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2onk h ALA 25 Cb 0.57 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 2onk h ALA 25 CO -0.92 -0.91 -0.45 0.00 0.00 0.00 0.00 179.25 176.97 2onk h ALA 26 N -1.45 -0.48 -0.97 0.00 0.00 0.21 -0.37 119.26 116.21 2onk h ALA 26 Ca -0.02 0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.22 2onk h ALA 26 Cb 0.31 1.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 2onk h ALA 26 CO -0.02 -0.77 0.51 1.79 0.00 0.00 0.00 179.25 180.76 2onk h THR 27 N -0.06 0.44 -0.03 0.00 1.35 -1.31 0.47 112.91 113.77 2onk h THR 27 Ca 0.11 -0.15 -0.16 0.00 -0.55 0.00 0.00 66.41 65.66 2onk h THR 27 Cb 0.35 -0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 2onk h THR 27 CO -0.67 0.08 -0.70 0.58 -0.25 0.00 0.00 175.52 174.56 2onk h VAL 28 N 0.44 1.44 0.11 6.82 2.07 -1.01 -3.12 116.25 123.00 2onk h VAL 28 Ca 0.64 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 2onk h VAL 28 Cb 1.29 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2onk h VAL 28 CO -0.54 0.65 -0.06 0.74 0.02 0.00 0.00 177.57 178.38 2onk h THR 29 N 0.12 0.00 0.00 2.57 2.02 0.13 -2.58 112.91 115.17 2onk h THR 29 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2onk h THR 29 Cb 1.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2onk h THR 29 CO 0.10 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.53 2onk h LEU 30 N -0.16 0.00 -0.03 2.58 3.38 -1.18 -0.10 115.31 119.79 2onk h LEU 30 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2onk h LEU 30 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 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 -2.16 0.63 -0.13 1.13 1.13 -0.97 -2.11 117.38 114.91 2onk n GLN 31 Ca -0.01 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 2onk n GLN 31 Cb 0.62 -1.01 -0.11 0.00 0.11 0.00 0.00 30.24 29.86 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 -0.48 1.98 0.23 1.08 4.77 -0.05 -3.41 117.00 121.11 2onk n LEU 32 Ca 0.00 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.42 2onk n LEU 32 Cb 0.00 -0.88 0.52 0.00 -2.33 0.00 0.00 43.42 40.74 2onk n LEU 32 CO 0.00 0.50 0.92 -0.26 -1.33 0.00 0.00 177.39 177.22 2onk h PHE 33 N -0.94 0.00 -0.78 -1.77 -1.00 -1.63 -0.05 116.94 110.76 2onk h PHE 33 Ca -0.59 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 59.88 2onk h PHE 33 Cb 1.54 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.72 2onk h PHE 33 CO -0.02 0.00 -1.12 0.09 -1.61 0.00 0.00 178.31 175.65 2onk n ASN 34 N -2.37 1.25 0.34 2.17 4.13 -1.23 -4.93 115.26 114.63 2onk n ASN 34 Ca -0.01 -2.51 0.18 0.00 1.68 0.00 0.00 54.58 53.92 2onk n ASN 34 Cb 0.35 -0.42 0.99 0.00 -1.54 0.00 0.00 39.78 39.16 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 2.81 0.00 0.49 3.10 3.57 -1.01 -1.61 116.94 124.29 2onk h PHE 35 Ca -0.13 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 39.96 2onk h PHE 35 CO 0.47 0.00 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.88 2onk h ASP 36 N 0.00 -0.55 -0.09 0.41 3.32 -1.88 -0.38 116.42 117.25 2onk h ASP 36 Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2onk h ASP 36 Cb 0.40 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2onk h ASP 36 CO -0.00 -0.19 0.02 -0.33 -1.72 0.00 0.00 179.24 177.02 2onk h GLU 37 N -0.96 0.06 -0.53 3.56 5.08 -1.72 -0.62 114.58 119.45 2onk h GLU 37 Ca -0.07 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2onk h GLU 37 Cb 0.60 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 2onk h GLU 37 CO 0.11 0.04 -0.16 0.35 -1.00 0.00 0.00 179.01 178.35 2onk h PHE 38 N 0.06 -0.36 -0.25 4.33 3.57 -1.39 0.43 116.94 123.33 2onk h PHE 38 Ca 0.04 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2onk h PHE 38 Cb 0.03 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2onk h PHE 38 CO -0.10 -0.25 0.15 -0.07 -2.23 0.00 0.00 178.31 175.80 2onk h LEU 39 N -0.03 0.25 -0.11 0.59 3.38 -0.66 0.17 115.31 118.90 2onk h LEU 39 Ca 0.25 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2onk h LEU 39 Cb 0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2onk h LEU 39 CO -0.56 0.18 -0.04 0.11 0.09 0.00 0.00 178.44 178.22 2onk h LYS 40 N 0.31 -0.03 -0.23 1.13 1.57 0.28 -0.47 116.57 119.13 2onk h LYS 40 Ca 0.10 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2onk h LYS 40 Cb -0.01 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 2onk h LYS 40 CO -0.04 -0.02 -0.16 0.00 -0.57 0.00 0.00 179.45 178.66 2onk h ALA 41 N 1.08 -0.00 -0.83 3.86 0.00 0.08 0.36 119.26 123.80 2onk h ALA 41 Ca 0.06 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.27 2onk h ALA 41 Cb 0.12 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2onk h ALA 41 CO -0.13 -0.58 0.58 0.00 0.00 0.00 0.00 179.25 179.11 2onk h ALA 42 N 0.98 2.52 0.00 0.00 0.00 0.14 -0.88 119.26 122.01 2onk h ALA 42 Ca 0.13 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 2onk h ALA 42 Cb 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2onk h ALA 42 CO -0.32 -0.77 -1.45 0.77 0.00 0.00 0.00 179.25 177.48 2onk h SER 43 N 0.17 0.00 -0.68 0.00 0.02 0.71 -3.46 113.55 110.30 2onk h SER 43 Ca 0.41 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.86 2onk h SER 43 Cb 1.36 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.85 2onk h SER 43 CO -0.07 0.82 1.68 -0.67 -1.14 0.00 0.00 176.83 177.45 2onk n ASP 44 N -3.03 1.20 0.00 3.07 -0.08 0.10 -4.76 116.55 113.04 2onk n ASP 44 Ca -0.11 -0.06 0.02 0.00 -1.51 0.00 0.00 54.79 53.13 2onk n ASP 44 Cb 0.95 -1.20 0.09 0.00 2.34 0.00 0.00 41.12 43.30 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 8.65 0.01 -0.06 -0.67 -0.04 -1.26 -1.19 135.00 140.44 2onk n PRO 45 Ca 0.53 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 64.24 2onk n PRO 45 Cb 0.24 -1.50 -0.06 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 0.30 0.35 0.55 0.00 -1.94 -2.12 119.26 118.56 2onk h ALA 46 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2onk h ALA 46 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2onk h ALA 46 CO 0.00 0.33 -0.22 0.28 0.00 0.00 0.00 179.25 179.64 2onk h VAL 47 N 0.23 0.54 -0.26 0.00 2.07 -1.48 -2.41 116.25 114.92 2onk h VAL 47 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 2onk h VAL 47 Cb 0.90 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2onk h VAL 47 CO 0.07 0.00 0.18 -0.50 0.02 0.00 0.00 177.57 177.34 2onk h TRP 48 N -0.55 0.14 -0.49 1.57 4.06 -1.56 0.26 115.95 119.37 2onk h TRP 48 Ca -0.03 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 2onk h TRP 48 Cb 0.46 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 2onk h TRP 48 CO -0.10 0.08 0.16 0.87 -3.56 0.00 0.00 178.44 175.89 2onk h LYS 49 N 0.14 0.76 0.32 0.49 1.57 -0.91 -2.01 116.57 116.92 2onk h LYS 49 Ca 0.12 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2onk h LYS 49 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2onk h LYS 49 CO -0.02 0.71 -0.15 0.28 -0.57 0.00 0.00 179.45 179.70 2onk h VAL 50 N 0.66 0.63 -0.86 0.50 2.07 -0.62 -2.25 116.25 116.37 2onk h VAL 50 Ca 0.16 -0.67 0.20 0.00 0.82 0.00 0.00 66.70 67.21 2onk h VAL 50 Cb 0.26 0.94 -0.16 0.00 -1.52 0.00 0.00 31.29 30.81 2onk h VAL 50 CO -0.01 0.12 -0.04 0.58 0.02 0.00 0.00 177.57 178.24 2onk h VAL 51 N -0.83 0.19 -0.27 2.57 2.07 -0.56 0.36 116.25 119.77 2onk h VAL 51 Ca -0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2onk h VAL 51 Cb 0.52 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2onk h VAL 51 CO 0.07 0.01 0.04 -0.07 0.02 0.00 0.00 177.57 177.64 2onk h LEU 52 N 0.05 0.44 -0.79 2.57 3.38 -1.36 -0.93 115.31 118.67 2onk h LEU 52 Ca 0.47 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2onk h LEU 52 Cb 0.86 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2onk h LEU 52 CO -0.80 0.60 0.44 0.74 0.09 0.00 0.00 178.44 179.51 2onk h THR 53 N 0.26 0.91 0.00 0.22 2.02 0.02 0.19 112.91 116.54 2onk h THR 53 Ca 0.08 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2onk h THR 53 Cb 0.35 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2onk h THR 53 CO 0.01 0.14 0.00 0.41 0.37 0.00 0.00 175.52 176.45 2onk n THR 54 N -4.76 0.00 -0.31 3.16 -1.04 0.92 -0.66 114.28 111.59 2onk n THR 54 Ca 0.13 1.23 0.08 0.00 -2.04 0.00 0.00 64.05 63.44 2onk n THR 54 Cb 0.26 -2.15 0.18 0.00 -1.82 0.00 0.00 70.33 66.80 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 -0.21 -0.39 -1.42 -1.99 -1.03 0.11 116.97 112.05 2onk h TYR 55 Ca 0.00 0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 2onk h TYR 55 Cb 0.00 0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2onk h TYR 55 CO 0.02 -0.35 -0.21 -0.92 -0.00 0.00 0.00 178.16 176.70 2onk h TYR 56 N 0.04 0.86 -0.29 4.88 3.20 -0.63 -0.70 116.97 124.32 2onk h TYR 56 Ca 0.47 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 2onk h TYR 56 Cb 0.85 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2onk h TYR 56 CO -0.55 0.90 -0.18 0.00 -1.64 0.00 0.00 178.16 176.69 2onk h ALA 57 N 1.10 0.41 0.00 1.82 0.00 0.15 -2.75 119.26 119.99 2onk h ALA 57 Ca 0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2onk h ALA 57 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2onk h ALA 57 CO 0.05 0.33 -0.30 0.00 0.00 0.00 0.00 179.25 179.34 2onk h ALA 58 N 0.73 1.50 0.00 0.00 0.00 -0.88 -2.00 119.26 118.62 2onk h ALA 58 Ca 0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2onk h ALA 58 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2onk h ALA 58 CO 0.05 0.37 -0.40 1.25 0.00 0.00 0.00 179.25 180.52 2onk h LEU 59 N 0.00 0.00 -0.03 0.00 6.46 -0.89 -2.39 115.31 118.46 2onk h LEU 59 Ca -0.00 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.50 2onk h LEU 59 Cb 0.53 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.48 2onk h LEU 59 CO 0.04 0.40 -1.02 0.40 -0.62 0.00 0.00 178.44 177.64 2onk h ILE 60 N 0.00 1.29 -0.67 4.05 2.04 -1.09 -2.56 117.51 120.57 2onk h ILE 60 Ca -0.00 -2.24 0.02 0.00 1.00 0.00 0.00 64.86 63.63 2onk h ILE 60 Cb 0.74 2.35 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 2onk h ILE 60 CO 0.05 0.69 0.43 0.77 0.00 0.00 0.00 178.15 180.09 2onk h SER 61 N 0.40 0.72 0.34 1.72 4.64 -1.29 -0.99 113.55 119.08 2onk h SER 61 Ca -0.12 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2onk h SER 61 Cb 1.67 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.58 2onk h SER 61 CO 0.20 0.51 -0.21 0.74 -0.87 0.00 0.00 176.83 177.20 2onk h THR 62 N 0.86 0.55 -0.54 2.95 2.02 -1.42 0.12 112.91 117.45 2onk h THR 62 Ca 0.26 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.53 2onk h THR 62 Cb -0.04 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 2onk h THR 62 CO -0.08 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 175.86 2onk h LEU 63 N -0.53 0.02 -1.02 2.58 3.38 -1.17 0.35 115.31 118.92 2onk h LEU 63 Ca -0.03 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2onk h LEU 63 Cb 0.44 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 2onk h LEU 63 CO 0.03 0.03 0.65 0.40 0.09 0.00 0.00 178.44 179.64 2onk h ILE 64 N 0.26 1.07 0.69 1.22 2.04 -0.75 0.33 117.51 122.37 2onk h ILE 64 Ca 0.27 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2onk h ILE 64 Cb 0.38 -0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2onk h ILE 64 CO -0.35 0.21 -0.33 0.00 0.00 0.00 0.00 178.15 177.68 2onk h ALA 65 N 1.47 -1.18 -0.54 1.87 0.00 0.22 -1.07 119.26 120.03 2onk h ALA 65 Ca 0.44 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2onk h ALA 65 Cb 0.20 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 2onk h ALA 65 CO -0.18 -1.11 -0.40 0.28 0.00 0.00 0.00 179.25 177.83 2onk h VAL 66 N -0.98 0.12 -0.30 0.00 2.07 -0.32 3.81 116.25 120.66 2onk h VAL 66 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2onk h VAL 66 Cb 0.71 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2onk h VAL 66 CO 0.16 0.00 0.21 0.40 0.02 0.00 0.00 177.57 178.36 2onk h ILE 67 N -0.23 0.88 0.00 4.57 2.04 -0.87 -1.29 117.51 122.61 2onk h ILE 67 Ca 0.18 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.89 2onk h ILE 67 Cb 0.56 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2onk h ILE 67 CO -0.66 0.01 -1.49 0.49 0.00 0.00 0.00 178.15 176.50 2onk n PHE 68 N -4.46 0.00 -0.07 1.37 3.01 -0.41 -4.70 117.46 112.20 2onk n PHE 68 Ca 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.35 2onk n PHE 68 Cb 0.34 -0.35 -0.05 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.38 0.76 0.28 1.37 0.00 0.72 -3.31 103.07 104.27 2onk h GLY 69 Ca -0.19 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.26 2onk h GLY 69 CO 0.01 0.79 -0.47 -0.84 0.00 0.00 0.00 176.54 176.02 2onk h THR 70 N 0.41 0.00 -0.96 4.70 2.02 -1.25 -0.50 112.91 117.34 2onk h THR 70 Ca 0.02 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.50 2onk h THR 70 Cb 1.01 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.25 2onk h THR 70 CO 0.09 0.00 0.29 1.55 0.37 0.00 0.00 175.52 177.83 2onk h PRO 71 N -0.80 0.10 -0.51 6.66 0.13 -1.79 0.61 132.00 136.41 2onk h PRO 71 Ca -0.03 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 2onk h PRO 71 Cb 0.74 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2onk h PRO 71 CO -0.16 0.07 -0.17 1.25 -0.23 0.00 0.00 178.00 178.76 2onk h LEU 72 N 0.11 1.03 -1.28 1.56 5.85 -1.46 -2.19 115.31 118.93 2onk h LEU 72 Ca 0.67 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2onk h LEU 72 Cb 1.52 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 2onk h LEU 72 CO -0.76 1.17 0.32 0.00 -0.34 0.00 0.00 178.44 178.83 2onk h ALA 73 N 0.89 1.45 0.69 1.25 0.00 0.18 0.44 119.26 124.17 2onk h ALA 73 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2onk h ALA 73 Cb 0.75 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2onk h ALA 73 CO 0.06 0.45 -0.33 -0.92 0.00 0.00 0.00 179.25 178.51 2onk h TYR 74 N 0.82 -0.87 -1.02 0.00 3.20 -0.95 -2.14 116.97 116.01 2onk h TYR 74 Ca 0.21 -0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.36 2onk h TYR 74 Cb 0.03 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2onk h TYR 74 CO 0.00 -0.52 0.80 0.82 -1.64 0.00 0.00 178.16 177.62 2onk h ILE 75 N -1.21 0.38 0.12 1.81 2.04 -1.05 0.56 117.51 120.16 2onk h ILE 75 Ca -0.10 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.48 2onk h ILE 75 Cb 0.73 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2onk h ILE 75 CO 0.16 0.00 -1.39 -0.07 0.00 0.00 0.00 178.15 176.85 2onk h LEU 76 N 0.00 0.40 -0.48 1.44 3.38 -0.69 -3.21 115.31 116.14 2onk h LEU 76 Ca 0.48 -0.48 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2onk h LEU 76 Cb 2.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 2onk h LEU 76 CO -0.01 1.39 -0.76 0.00 0.09 0.00 0.00 178.44 179.16 2onk h ALA 77 N 0.55 0.75 -3.00 1.53 0.00 -0.29 -3.43 119.26 115.37 2onk h ALA 77 Ca -0.19 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2onk h ALA 77 Cb 1.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.66 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 -3.64 0.00 -1.15 0.00 5.12 -0.31 -4.86 116.66 111.83 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 0.73 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 32.12 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 0.17 -3.50 5.56 5.02 -1.21 -5.02 118.16 119.18 2onk n LYS 79 Ca 0.00 0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 2onk n LYS 79 Cb 0.00 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 32.95 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 -1.67 1.58 0.36 4.39 1.04 -1.26 -4.67 113.70 113.48 2onk s SER 80 Ca 0.65 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.76 2onk s SER 80 Cb -0.31 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2onk s SER 80 CO 0.59 -0.34 0.14 2.22 0.98 0.00 0.00 173.24 176.83 2onk n PHE 81 N 5.31 -0.04 -0.14 5.02 1.16 -1.26 -5.06 117.46 122.44 2onk n PHE 81 Ca -0.05 -1.64 -0.12 0.00 -1.87 0.00 0.00 57.45 53.77 2onk n PHE 81 Cb 0.49 -0.27 -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 0.89 -0.47 3.97 0.13 -2.06 -3.32 132.00 131.13 2onk h PRO 82 Ca -0.26 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 64.46 2onk h PRO 82 Cb 0.87 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2onk h PRO 82 CO 0.42 1.03 0.20 0.78 -0.23 0.00 0.00 178.00 180.21 2onk h GLY 83 N 0.71 0.74 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 0.96 118.16 122.81 2onk n LYS 84 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 2onk n LYS 84 Cb 0.14 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.41 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 -1.09 -0.07 0.17 4.39 7.64 -1.26 0.10 113.62 123.51 2onk n SER 85 Ca 0.00 1.37 -0.08 0.00 1.01 0.00 0.00 58.87 61.17 2onk n SER 85 Cb 0.00 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 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 0.00 -0.98 0.44 2.07 0.27 -2.62 116.25 115.42 2onk h VAL 86 Ca 0.50 -0.61 0.29 0.00 0.82 0.00 0.00 66.70 67.71 2onk h VAL 86 Cb 1.07 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.70 2onk h VAL 86 CO -0.75 0.00 0.52 0.58 0.02 0.00 0.00 177.57 177.94 2onk h VAL 87 N -1.13 0.35 -0.36 2.57 2.07 -0.62 0.57 116.25 119.71 2onk h VAL 87 Ca -0.05 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2onk h VAL 87 Cb 0.40 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2onk h VAL 87 CO 0.09 0.07 -0.23 -0.33 0.02 0.00 0.00 177.57 177.18 2onk h GLU 88 N 0.36 0.72 -0.11 1.57 5.08 0.61 -2.77 114.58 120.05 2onk h GLU 88 Ca 0.69 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2onk h GLU 88 Cb 1.49 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2onk h GLU 88 CO -0.58 0.88 -0.07 0.78 -1.00 0.00 0.00 179.01 179.02 2onk h GLY 89 N 0.98 0.26 0.24 -3.84 0.00 0.45 -2.92 103.07 98.24 2onk h GLY 89 Ca 0.09 -0.24 0.15 0.00 0.00 0.00 0.00 47.33 47.33 2onk h GLY 89 CO 0.06 0.22 0.53 -2.22 0.00 0.00 0.00 176.54 175.12 2onk h ILE 90 N -0.13 0.76 -0.24 2.60 2.04 -0.98 0.21 117.51 121.76 2onk h ILE 90 Ca 0.02 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2onk h ILE 90 Cb 0.54 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2onk h ILE 90 CO 0.02 0.14 0.16 0.58 0.00 0.00 0.00 178.15 179.04 2onk h VAL 91 N 0.74 1.06 -0.02 1.67 2.07 -1.34 -1.98 116.25 118.46 2onk h VAL 91 Ca 0.51 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.90 2onk h VAL 91 Cb 0.70 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2onk h VAL 91 CO -0.35 0.06 -0.00 0.47 0.02 0.00 0.00 177.57 177.77 2onk n ASP 92 N -4.50 2.11 -0.16 0.57 8.00 0.65 -4.33 116.55 118.89 2onk n ASP 92 Ca 0.01 -1.70 -0.08 0.00 0.71 0.00 0.00 54.79 53.72 2onk n ASP 92 Cb 0.07 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 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 3.32 -1.26 -1.09 0.64 3.38 -0.49 -0.72 115.31 119.10 2onk h LEU 93 Ca 0.00 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.30 2onk h LEU 93 Cb 0.70 0.53 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2onk h LEU 93 CO 0.00 -0.21 0.91 1.55 0.09 0.00 0.00 178.44 180.78 2onk h PRO 94 N -0.14 0.00 0.00 1.13 0.13 -1.80 0.33 132.00 131.65 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 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2onk h PRO 94 CO -0.47 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 177.58 2onk h VAL 95 N 0.00 0.00 0.00 1.56 2.07 -1.45 -3.26 116.25 115.18 2onk h VAL 95 Ca 0.26 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2onk h VAL 95 Cb 2.08 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2onk h VAL 95 CO -0.00 0.00 -1.84 0.52 0.02 0.00 0.00 177.57 176.27 2onk n VAL 96 N -2.56 0.30 -2.89 2.57 0.31 0.12 -4.91 118.33 111.26 2onk n VAL 96 Ca 0.04 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 2onk n VAL 96 Cb 0.40 -0.08 -0.04 0.00 -0.91 0.00 0.00 33.84 33.20 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 -2.93 4.69 0.45 2.52 1.01 -1.13 -5.02 121.20 120.79 2onk s ILE 97 Ca -0.06 1.10 -0.24 0.00 0.00 0.00 0.00 60.65 61.44 2onk s ILE 97 Cb 0.09 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 2onk s ILE 97 CO 0.67 -0.43 1.16 -0.81 0.00 0.00 0.00 174.94 175.54 2onk n PRO 98 N 6.51 1.62 -0.35 2.79 -0.04 -1.26 -4.64 135.00 139.63 2onk n PRO 98 Ca 0.05 0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 64.00 2onk n PRO 98 Cb 0.48 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.59 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 -0.52 -0.37 -0.15 0.54 8.25 -1.26 -1.38 115.22 120.33 2onk n HIS 99 Ca 0.09 1.05 -0.09 0.00 -0.26 0.00 0.00 57.72 58.50 2onk n HIS 99 Cb 0.41 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 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 0.11 -0.60 1.59 2.02 -1.90 -0.37 112.91 113.77 2onk h THR 100 Ca 0.13 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.41 2onk h THR 100 Cb 0.34 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 2onk h THR 100 CO -0.79 0.00 0.21 0.58 0.37 0.00 0.00 175.52 175.89 2onk h VAL 101 N -0.29 0.76 -0.30 3.16 2.07 -1.57 0.51 116.25 120.59 2onk h VAL 101 Ca 0.15 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2onk h VAL 101 Cb 0.57 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2onk h VAL 101 CO -0.61 0.07 -0.22 0.00 0.02 0.00 0.00 177.57 176.83 2onk h ALA 102 N 1.42 -0.04 -0.03 1.67 0.00 -0.29 0.50 119.26 122.49 2onk h ALA 102 Ca 0.30 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.34 2onk h ALA 102 Cb 0.38 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2onk h ALA 102 CO -0.31 -0.62 -0.19 0.78 0.00 0.00 0.00 179.25 178.91 2onk h GLY 103 N -0.20 -0.24 0.40 0.00 0.00 0.08 0.30 103.07 103.41 2onk h GLY 103 Ca 0.16 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.78 2onk h GLY 103 CO -0.42 -0.18 -0.03 -2.22 0.00 0.00 0.00 176.54 173.69 2onk h ILE 104 N -0.29 0.71 -0.59 2.60 2.04 -0.00 0.39 117.51 122.36 2onk h ILE 104 Ca 0.07 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2onk h ILE 104 Cb 0.38 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2onk h ILE 104 CO -0.20 0.01 0.39 0.00 0.00 0.00 0.00 178.15 178.36 2onk h ALA 105 N 1.32 0.75 -0.68 1.87 0.00 0.39 0.21 119.26 123.12 2onk h ALA 105 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2onk h ALA 105 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2onk h ALA 105 CO -0.31 0.18 0.43 -0.07 0.00 0.00 0.00 179.25 179.49 2onk h LEU 106 N 0.80 0.80 -0.68 0.00 3.38 0.71 -2.37 115.31 117.96 2onk h LEU 106 Ca 0.22 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2onk h LEU 106 Cb -0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 2onk h LEU 106 CO -0.05 0.60 0.41 0.25 0.09 0.00 0.00 178.44 179.74 2onk h LEU 107 N 0.93 0.65 -0.13 1.67 6.46 0.49 0.11 115.31 125.49 2onk h LEU 107 Ca 0.25 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2onk h LEU 107 Cb -0.07 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2onk h LEU 107 CO -0.05 0.44 0.05 0.52 -0.62 0.00 0.00 178.44 178.78 2onk n VAL 108 N -4.71 1.73 0.00 1.05 0.31 -0.01 -1.57 118.33 115.13 2onk n VAL 108 Ca 0.07 0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.93 2onk n VAL 108 Cb 0.11 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 -1.53 0.00 0.82 2.52 0.31 0.04 -4.09 118.33 116.40 2onk n VAL 109 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2onk n VAL 109 Cb 0.05 -0.51 0.01 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.68 0.00 -1.48 3.52 3.01 0.17 -0.84 117.46 120.16 2onk n PHE 110 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 2onk n PHE 110 Cb 0.32 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.02 1.61 0.00 1.37 0.00 -0.61 -4.34 107.32 103.33 2onk s GLY 111 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.65 2onk s GLY 111 CO 0.43 0.21 0.68 1.44 0.00 0.00 0.00 173.10 175.86 2onk n SER 112 N -3.60 0.00 -0.01 1.64 7.64 -1.26 -0.06 113.62 117.98 2onk n SER 112 Ca 0.07 -0.03 0.06 0.00 1.01 0.00 0.00 58.87 59.98 2onk n SER 112 Cb 0.57 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 2onk n SER 112 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2onk n SER 113 N -1.04 1.87 -4.64 6.43 7.64 -1.26 -3.82 113.62 118.79 2onk n SER 113 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2onk n SER 113 Cb 0.01 1.60 0.07 0.00 -1.01 0.00 0.00 64.21 64.88 2onk n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2onk n GLY 114 N 1.74 -0.18 0.31 0.23 0.00 0.92 -4.66 105.19 103.54 2onk n GLY 114 Ca -0.03 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.86 2onk n GLY 114 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2onk h LEU 115 N 0.13 0.32 0.05 0.99 3.38 -1.70 -0.92 115.31 117.56 2onk h LEU 115 Ca -0.49 0.14 -0.23 0.00 0.09 0.00 0.00 57.88 57.39 2onk h LEU 115 Cb 1.35 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2onk h LEU 115 CO 0.49 0.04 -1.25 0.40 0.09 0.00 0.00 178.44 178.21 2onk h ILE 116 N 0.43 1.01 -0.69 1.22 2.04 -1.77 -3.40 117.51 116.35 2onk h ILE 116 Ca 0.52 -2.28 0.11 0.00 1.00 0.00 0.00 64.86 64.21 2onk h ILE 116 Cb 0.92 2.54 -0.08 0.00 -0.74 0.00 0.00 36.82 39.46 2onk h ILE 116 CO -0.49 0.53 0.28 1.23 0.00 0.00 0.00 178.15 179.71 2onk h GLY 117 N -0.43 1.02 1.02 5.37 0.00 -0.69 -0.54 103.07 108.82 2onk h GLY 117 Ca -0.31 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2onk h GLY 117 CO -0.07 -0.03 0.00 -1.14 0.00 0.00 0.00 176.54 175.30 2onk n SER 118 N -4.97 0.00 0.00 0.19 3.41 -0.38 -2.25 113.62 109.63 2onk n SER 118 Ca 0.11 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2onk n SER 118 Cb 0.33 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2onk n SER 118 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2onk n PHE 119 N -1.01 0.00 -1.53 7.33 0.99 -0.38 -4.99 117.46 117.86 2onk n PHE 119 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.05 2onk n PHE 119 Cb 0.00 0.05 -0.06 0.00 -1.00 0.00 0.00 39.48 38.48 2onk n PHE 119 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2onk n SER 120 N -2.53 2.04 0.00 4.37 2.88 -0.35 -4.73 113.62 115.30 2onk n SER 120 Ca 0.00 -0.19 0.02 0.00 -1.33 0.00 0.00 58.87 57.37 2onk n SER 120 Cb 0.38 -1.42 0.14 0.00 -0.75 0.00 0.00 64.21 62.56 2onk n SER 120 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2onk n PRO 121 N 8.79 0.17 -3.56 -1.46 -0.04 -1.26 -4.29 135.00 133.35 2onk n PRO 121 Ca 0.42 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 2onk n PRO 121 Cb 0.40 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2onk n PRO 121 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2onk s LEU 122 N -1.88 4.09 0.09 1.53 2.96 -1.26 -5.06 118.68 119.14 2onk s LEU 122 Ca 0.07 0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 2onk s LEU 122 Cb 0.03 -2.22 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2onk s LEU 122 CO 0.06 -0.02 1.01 -0.54 -1.32 0.00 0.00 176.35 175.53 2onk s LYS 123 N 1.43 4.62 -0.24 1.98 1.02 -1.26 -4.98 119.74 122.31 2onk s LYS 123 Ca 0.10 1.51 -0.17 0.00 0.02 0.00 0.00 55.97 57.43 2onk s LYS 123 Cb -0.15 -3.38 -0.15 0.00 -0.52 0.00 0.00 37.83 33.63 2onk s LYS 123 CO 0.07 0.08 -0.09 1.19 -0.92 0.00 0.00 175.35 175.69 2onk n PHE 124 N 3.11 0.48 -1.71 3.18 3.01 -1.26 -4.61 117.46 119.66 2onk n PHE 124 Ca 0.04 0.21 -0.43 0.00 1.01 0.00 0.00 57.45 58.28 2onk n PHE 124 Cb 0.49 -1.04 -0.03 0.00 -0.01 0.00 0.00 39.48 38.89 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 -4.34 0.03 -2.72 -4.37 0.31 -1.26 -1.43 118.33 104.55 2onk n VAL 125 Ca -0.43 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 63.68 2onk n VAL 125 Cb 0.78 -1.95 0.01 0.00 -0.91 0.00 0.00 33.84 31.78 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 4.05 -5.95 -3.99 4.52 9.92 -1.01 -4.93 116.55 119.16 2onk n ASP 126 Ca 0.16 -0.15 -0.09 0.00 -0.53 0.00 0.00 54.79 54.19 2onk n ASP 126 Cb 0.34 -4.88 -0.10 0.00 -0.64 0.00 0.00 41.12 35.84 2onk n ASP 126 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2onk s ALA 127 N -3.10 0.15 0.20 2.24 0.00 -0.55 -4.36 121.76 116.33 2onk s ALA 127 Ca 0.16 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 2onk s ALA 127 Cb -0.07 0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.39 2onk s ALA 127 CO 0.19 -0.26 1.56 -0.07 0.00 0.00 0.00 175.76 177.19 2onk h LEU 128 N 3.99 -1.48 -1.00 0.00 3.38 -1.87 0.49 115.31 118.82 2onk h LEU 128 Ca -0.33 0.28 0.18 0.00 0.09 0.00 0.00 57.88 58.10 2onk h LEU 128 Cb 1.18 0.73 -0.17 0.00 0.09 0.00 0.00 40.66 42.49 2onk h LEU 128 CO 0.50 -0.30 -0.32 -2.65 0.09 0.00 0.00 178.44 175.76 2onk n PRO 129 N -5.42 -0.17 0.14 1.13 -0.02 -1.26 0.19 135.00 129.58 2onk n PRO 129 Ca 0.06 1.54 -0.13 0.00 -2.02 0.00 0.00 63.50 62.95 2onk n PRO 129 Cb 0.36 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 2onk n PRO 129 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2onk h GLY 130 N 0.00 -0.50 0.41 -1.23 0.00 0.11 0.65 103.07 102.51 2onk h GLY 130 Ca 0.41 0.29 0.08 0.00 0.00 0.00 0.00 47.33 48.10 2onk h GLY 130 CO -1.01 -0.22 0.09 -2.22 0.00 0.00 0.00 176.54 173.19 2onk h ILE 131 N -0.49 0.75 0.14 2.60 2.04 0.14 0.32 117.51 123.01 2onk h ILE 131 Ca 0.01 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2onk h ILE 131 Cb 0.48 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2onk h ILE 131 CO -0.10 0.04 -0.12 0.58 0.00 0.00 0.00 178.15 178.55 2onk h VAL 132 N 0.23 0.00 -1.20 1.67 2.07 0.28 0.24 116.25 119.54 2onk h VAL 132 Ca 0.23 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.17 2onk h VAL 132 Cb 0.30 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.92 2onk h VAL 132 CO -0.30 0.00 0.73 0.58 0.02 0.00 0.00 177.57 178.60 2onk h VAL 133 N -0.26 0.09 0.57 2.57 2.07 0.61 0.74 116.25 122.64 2onk h VAL 133 Ca -0.02 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2onk h VAL 133 Cb 0.22 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2onk h VAL 133 CO -0.00 0.01 -0.27 0.00 0.02 0.00 0.00 177.57 177.33 2onk h ALA 134 N 1.74 -0.96 -0.51 1.67 0.00 0.81 -2.69 119.26 119.33 2onk h ALA 134 Ca 0.83 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.63 2onk h ALA 134 Cb 2.41 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 20.44 2onk h ALA 134 CO -0.55 -0.90 0.22 0.52 0.00 0.00 0.00 179.25 178.55 2onk h MET 135 N -0.95 0.42 0.00 0.00 2.86 0.22 -2.96 114.93 114.52 2onk h MET 135 Ca -0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2onk h MET 135 Cb 0.58 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2onk h MET 135 CO 0.13 0.28 0.00 -0.11 1.06 0.00 0.00 176.91 178.27 2onk n LEU 136 N -4.94 0.00 -0.29 1.22 7.94 0.23 -1.38 117.00 119.78 2onk n LEU 136 Ca 0.05 0.87 0.27 0.00 -1.11 0.00 0.00 56.01 56.10 2onk n LEU 136 Cb 0.17 -0.37 0.49 0.00 0.53 0.00 0.00 43.42 44.24 2onk n LEU 136 CO 0.27 -0.37 0.88 0.33 -1.11 0.00 0.00 177.39 177.38 2onk n PHE 137 N -2.13 0.79 0.10 1.96 7.35 -1.01 0.47 117.46 124.99 2onk n PHE 137 Ca 0.00 0.79 0.02 0.00 -0.76 0.00 0.00 57.45 57.50 2onk n PHE 137 Cb 0.00 -1.21 -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 0.72 0.00 -2.13 2.07 -1.20 -3.38 116.25 112.34 2onk h VAL 138 Ca 0.68 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2onk h VAL 138 Cb 1.93 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 2onk h VAL 138 CO -0.52 0.41 -1.55 -1.54 0.02 0.00 0.00 177.57 174.39 2onk n SER 139 N -3.10 1.23 -0.27 0.57 3.41 0.18 -4.66 113.62 110.98 2onk n SER 139 Ca -0.02 -0.15 -0.05 0.00 -0.26 0.00 0.00 58.87 58.39 2onk n SER 139 Cb 0.77 1.60 0.00 0.00 -0.26 0.00 0.00 64.21 66.32 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 0.09 -0.20 -3.33 2.07 -0.89 0.06 116.25 114.06 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 0.67 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2onk h VAL 140 CO 0.00 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.09 2onk h PRO 141 N -0.12 -0.00 -1.00 1.57 0.13 -1.83 -1.49 132.00 129.25 2onk h PRO 141 Ca 0.25 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.67 2onk h PRO 141 Cb 0.56 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.55 2onk h PRO 141 CO -0.79 -0.00 0.57 0.82 -0.23 0.00 0.00 178.00 178.37 2onk h ILE 142 N -0.00 0.40 0.19 -3.56 2.04 -1.27 -1.01 117.51 114.29 2onk h ILE 142 Ca 0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2onk h ILE 142 Cb 0.15 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2onk h ILE 142 CO -0.21 0.08 -0.09 0.22 0.00 0.00 0.00 178.15 178.15 2onk h TYR 143 N 0.43 -0.24 -0.87 1.37 3.20 -0.77 -3.20 116.97 116.89 2onk h TYR 143 Ca 0.69 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.67 2onk h TYR 143 Cb 1.48 0.08 -0.12 0.00 1.54 0.00 0.00 36.73 39.70 2onk h TYR 143 CO -0.01 -0.15 -0.42 -0.89 -1.64 0.00 0.00 178.16 175.05 2onk n ILE 144 N -4.07 -0.52 -0.22 1.81 5.41 -0.63 -0.14 119.36 121.00 2onk n ILE 144 Ca -0.03 2.06 0.01 0.00 1.00 0.00 0.00 62.75 65.79 2onk n ILE 144 Cb 0.10 -2.64 0.12 0.00 -0.71 0.00 0.00 39.64 36.51 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 0.26 -0.46 4.38 4.21 -1.33 0.40 115.58 123.03 2onk h ASN 145 Ca 0.23 0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.74 2onk h ASN 145 Cb 0.44 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2onk h ASN 145 CO -0.84 0.14 0.00 1.56 -1.29 0.00 0.00 177.43 177.00 2onk h GLN 146 N 0.43 0.81 -0.38 0.81 1.08 -0.53 -2.00 115.11 115.33 2onk h GLN 146 Ca 0.33 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2onk h GLN 146 Cb 0.41 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2onk h GLN 146 CO -0.32 0.87 0.13 0.00 -0.95 0.00 0.00 178.83 178.56 2onk h ALA 147 N 0.91 1.52 0.60 3.87 0.00 0.46 -2.11 119.26 124.51 2onk h ALA 147 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2onk h ALA 147 Cb 0.50 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2onk h ALA 147 CO 0.02 0.37 -0.29 -0.22 0.00 0.00 0.00 179.25 179.14 2onk h LYS 148 N 0.54 -0.77 -1.08 0.00 3.64 0.21 -1.94 116.57 117.17 2onk h LYS 148 Ca 0.13 0.05 0.31 0.00 -1.27 0.00 0.00 60.65 59.88 2onk h LYS 148 Cb 0.15 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2onk h LYS 148 CO -0.01 -0.46 0.78 0.93 -2.27 0.00 0.00 179.45 178.42 2onk h GLU 149 N -0.96 0.00 0.11 1.90 5.08 -1.09 0.23 114.58 119.86 2onk h GLU 149 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2onk h GLU 149 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2onk h GLU 149 CO 0.13 0.00 -0.05 0.78 -1.00 0.00 0.00 179.01 178.87 2onk h GLY 150 N 0.00 -0.15 0.50 -3.84 0.00 -0.68 -1.11 103.07 97.78 2onk h GLY 150 Ca 0.51 0.06 0.16 0.00 0.00 0.00 0.00 47.33 48.06 2onk h GLY 150 CO -0.01 -0.06 0.56 0.74 0.00 0.00 0.00 176.54 177.78 2onk h PHE 151 N -0.15 0.70 -0.09 5.60 -1.00 -0.81 0.21 116.94 121.39 2onk h PHE 151 Ca -0.02 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2onk h PHE 151 Cb 0.11 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 2onk h PHE 151 CO 0.19 0.24 0.01 0.00 -1.61 0.00 0.00 178.31 177.14 2onk h ALA 152 N 1.61 1.85 0.00 2.45 0.00 -0.44 -2.18 119.26 122.56 2onk h ALA 152 Ca 0.44 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2onk h ALA 152 Cb 0.85 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2onk h ALA 152 CO -0.19 0.12 -0.23 0.66 0.00 0.00 0.00 179.25 179.61 2onk h SER 153 N 0.13 0.00 -3.07 0.00 4.64 0.75 -3.44 113.55 112.56 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 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2onk h SER 153 CO -0.00 0.23 0.72 -0.69 -0.87 0.00 0.00 176.83 176.23 2onk s VAL 154 N -3.54 4.28 -0.16 0.95 1.01 -0.82 -4.96 120.40 117.17 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 0.65 -0.02 2.14 -0.62 0.00 0.00 0.00 175.10 177.24 2onk s ASP 155 N 1.52 5.72 0.37 3.32 -1.08 -1.26 -4.85 116.67 120.41 2onk s ASP 155 Ca 0.55 2.05 0.18 0.00 -0.52 0.00 0.00 52.55 54.82 2onk s ASP 155 Cb -0.24 -2.52 1.16 0.00 -1.46 0.00 0.00 42.92 39.87 2onk s ASP 155 CO 0.21 -1.73 1.66 0.58 0.52 0.00 0.00 175.17 176.41 2onk h VAL 156 N 6.76 0.28 -0.77 1.11 2.07 -1.93 0.38 116.25 124.14 2onk h VAL 156 Ca -0.43 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.13 2onk h VAL 156 Cb 1.23 -0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 2onk h VAL 156 CO 0.96 0.05 0.36 0.03 0.02 0.00 0.00 177.57 178.99 2onk h ARG 157 N 0.27 0.54 -0.87 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 1.85 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 31.65 2onk h ARG 157 CO -0.55 0.36 0.36 -0.07 -1.07 0.00 0.00 179.97 179.00 2onk h LEU 158 N 0.56 0.28 -0.24 3.04 3.38 -0.61 0.67 115.31 122.37 2onk h LEU 158 Ca 0.41 0.15 -0.20 0.00 0.09 0.00 0.00 57.88 58.33 2onk h LEU 158 Cb 0.54 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2onk h LEU 158 CO -0.34 -0.01 -0.62 -0.33 0.09 0.00 0.00 178.44 177.23 2onk h GLU 159 N 0.38 0.85 0.17 1.13 5.08 -0.67 -1.77 114.58 119.75 2onk h GLU 159 Ca 0.54 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2onk h GLU 159 Cb 1.00 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2onk h GLU 159 CO -0.53 1.22 -0.25 0.45 -1.00 0.00 0.00 179.01 178.90 2onk h HIS 160 N 0.62 -0.66 -0.43 4.33 3.86 0.15 -1.80 115.15 121.22 2onk h HIS 160 Ca -0.01 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 2onk h HIS 160 Cb 1.24 0.27 -0.06 0.00 1.06 0.00 0.00 27.41 29.92 2onk h HIS 160 CO 0.08 -0.36 0.06 0.28 0.86 0.00 0.00 177.93 178.86 2onk h VAL 161 N -0.48 0.74 -0.86 2.45 2.07 0.14 0.57 116.25 120.89 2onk h VAL 161 Ca 0.02 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.61 2onk h VAL 161 Cb 0.48 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2onk h VAL 161 CO -0.11 0.03 0.56 0.00 0.02 0.00 0.00 177.57 178.07 2onk h ALA 162 N 1.34 1.85 -0.01 1.67 0.00 -0.87 0.46 119.26 123.70 2onk h ALA 162 Ca 0.21 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 2onk h ALA 162 Cb 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2onk h ALA 162 CO -0.30 -0.08 -0.94 0.00 0.00 0.00 0.00 179.25 177.93 2onk h ARG 163 N 0.67 0.50 -0.69 0.00 3.08 -0.37 -2.68 114.38 114.89 2onk h ARG 163 Ca 0.42 -0.52 0.10 0.00 0.07 0.00 0.00 59.98 60.05 2onk h ARG 163 Cb 0.69 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.81 2onk h ARG 163 CO -0.18 1.16 0.32 1.15 -1.07 0.00 0.00 179.97 181.35 2onk h THR 164 N 0.29 0.81 0.00 2.04 2.02 0.17 0.32 112.91 118.56 2onk h THR 164 Ca -0.09 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2onk h THR 164 Cb 1.58 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2onk h THR 164 CO 0.17 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.34 2onk n LEU 165 N -4.90 1.81 -3.02 2.58 4.77 0.12 -4.80 117.00 113.56 2onk n LEU 165 Ca 0.11 -0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 55.11 2onk n LEU 165 Cb 0.29 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2onk n LEU 165 CO 0.24 0.33 0.16 0.61 -1.33 0.00 0.00 177.39 177.40 2onk n GLY 166 N 0.36 -1.06 2.84 -0.72 0.00 0.11 -5.04 105.19 101.69 2onk n GLY 166 Ca 0.00 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.16 1.44 0.89 1.61 0.15 -1.02 -4.99 113.70 108.63 2onk s SER 167 Ca 0.23 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2onk s SER 167 Cb -0.03 -0.51 0.13 0.00 -1.71 0.00 0.00 66.02 63.90 2onk s SER 167 CO 0.68 -0.13 1.14 -1.54 1.20 0.00 0.00 173.24 174.59 2onk n SER 168 N 4.69 0.45 -0.32 5.45 3.41 -1.26 -4.14 113.62 121.89 2onk n SER 168 Ca -0.15 0.46 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 2onk n SER 168 Cb 0.50 -1.48 0.26 0.00 -0.26 0.00 0.00 64.21 63.24 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 -1.63 0.67 -0.43 4.33 0.11 -1.99 0.23 132.00 133.29 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 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2onk h PRO 169 CO 0.42 0.44 0.27 1.25 -0.21 0.00 0.00 178.00 180.17 2onk h LEU 170 N 0.69 0.52 0.60 2.35 5.85 -2.00 -1.33 115.31 121.99 2onk h LEU 170 Ca 0.51 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.16 2onk h LEU 170 Cb 0.75 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 2onk h LEU 170 CO -0.37 0.41 -0.39 0.03 -0.34 0.00 0.00 178.44 177.78 2onk h ARG 171 N 0.58 -0.90 -0.94 1.25 3.08 -0.97 -2.92 114.38 113.56 2onk h ARG 171 Ca 0.16 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.42 2onk h ARG 171 Cb -0.02 0.20 -0.16 0.00 0.08 0.00 0.00 29.97 30.08 2onk h ARG 171 CO -0.03 -0.60 -0.36 0.28 -1.07 0.00 0.00 179.97 178.19 2onk h VAL 172 N -0.93 0.03 -0.48 2.04 2.07 -0.83 -0.90 116.25 117.25 2onk h VAL 172 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2onk h VAL 172 Cb 0.75 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 2onk h VAL 172 CO 0.07 0.00 -0.36 0.15 0.02 0.00 0.00 177.57 177.46 2onk h PHE 173 N -0.02 -1.01 0.00 1.57 3.57 -1.06 1.00 116.94 121.00 2onk h PHE 173 Ca 0.35 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2onk h PHE 173 Cb 0.61 0.51 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2onk h PHE 173 CO -0.82 -0.40 0.00 0.74 -2.23 0.00 0.00 178.31 175.60 2onk h PHE 174 N -0.23 0.00 0.00 0.41 -1.00 -1.18 0.31 116.94 115.25 2onk h PHE 174 Ca 0.19 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.76 2onk h PHE 174 Cb 0.55 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 2onk h PHE 174 CO -0.60 0.00 -2.06 0.25 -1.61 0.00 0.00 178.31 174.28 2onk n THR 175 N -3.01 0.80 0.00 -1.55 -2.24 -0.43 -4.24 114.28 103.61 2onk n THR 175 Ca 0.04 -0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 61.18 2onk n THR 175 Cb 0.50 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.47 0.48 0.00 2.28 0.31 0.34 -4.71 118.33 114.56 2onk n VAL 176 Ca -0.20 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2onk n VAL 176 Cb 0.87 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -2.98 0.00 -0.03 4.52 7.64 -0.98 -2.50 113.62 119.28 2onk n SER 177 Ca -0.02 0.73 -0.03 0.00 1.01 0.00 0.00 58.87 60.56 2onk n SER 177 Cb 0.06 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.42 -1.90 -3.43 4.07 -0.63 -2.03 115.31 110.96 2onk h LEU 178 Ca 0.00 0.05 0.38 0.00 0.08 0.00 0.00 57.88 58.40 2onk h LEU 178 Cb 0.00 0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 2onk h LEU 178 CO 0.00 -0.09 0.94 1.55 -1.08 0.00 0.00 178.44 179.75 2onk h PRO 179 N -0.10 0.04 0.00 1.13 0.13 -1.74 0.25 132.00 131.73 2onk h PRO 179 Ca 0.02 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.95 2onk h PRO 179 Cb 0.14 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 2onk h PRO 179 CO -0.13 0.03 -0.92 -0.07 -0.23 0.00 0.00 178.00 176.68 2onk h LEU 180 N 0.05 0.00 -2.70 1.56 3.38 -1.09 -3.24 115.31 113.27 2onk h LEU 180 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 2onk h LEU 180 Cb 2.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.23 2onk h LEU 180 CO -0.06 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 177.85 2onk n SER 181 N -3.33 3.80 -0.14 -0.43 3.41 0.76 -4.58 113.62 113.10 2onk n SER 181 Ca 0.00 -2.00 -0.04 0.00 -0.26 0.00 0.00 58.87 56.58 2onk n SER 181 Cb 0.91 -0.43 0.03 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 4.13 0.50 0.00 -3.33 2.07 -1.19 0.33 116.25 118.76 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 0.97 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 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 -5.36 0.03 -0.08 1.57 0.63 -1.26 -0.33 116.66 111.86 2onk n ARG 183 Ca 0.04 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.85 2onk n ARG 183 Cb 0.26 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.60 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 -0.99 0.00 -0.18 -0.14 8.25 0.11 -3.64 115.22 118.63 2onk n HIS 184 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 2onk n HIS 184 Cb 0.00 -0.65 0.02 0.00 1.12 0.00 0.00 29.99 30.48 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 1.18 0.09 1.59 2.04 -0.00 0.49 117.51 122.89 2onk h ILE 185 Ca -0.38 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2onk h ILE 185 Cb 1.58 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2onk h ILE 185 CO -0.06 0.19 -0.04 0.58 0.00 0.00 0.00 178.15 178.81 2onk h VAL 186 N 0.68 0.98 -0.06 1.67 2.07 -0.89 1.00 116.25 121.69 2onk h VAL 186 Ca 0.18 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2onk h VAL 186 Cb 0.05 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2onk h VAL 186 CO -0.03 0.06 -0.03 0.00 0.02 0.00 0.00 177.57 177.59 2onk h ALA 187 N 0.67 0.02 -0.71 1.67 0.00 -1.57 -0.08 119.26 119.26 2onk h ALA 187 Ca -0.01 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2onk h ALA 187 Cb 0.19 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2onk h ALA 187 CO 0.02 -0.51 0.28 0.78 0.00 0.00 0.00 179.25 179.83 2onk h GLY 188 N -0.03 1.06 0.90 0.00 0.00 0.17 0.15 103.07 105.32 2onk h GLY 188 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2onk h GLY 188 CO -0.08 -0.06 -0.23 0.00 0.00 0.00 0.00 176.54 176.17 2onk h ALA 189 N 1.51 -0.65 -0.94 3.60 0.00 -0.20 -1.14 119.26 121.44 2onk h ALA 189 Ca 0.38 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.33 2onk h ALA 189 Cb 0.54 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 2onk h ALA 189 CO -0.37 -0.81 0.51 0.82 0.00 0.00 0.00 179.25 179.40 2onk h ILE 190 N -0.76 0.61 -0.55 0.00 2.04 -0.19 0.16 117.51 118.82 2onk h ILE 190 Ca -0.07 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 2onk h ILE 190 Cb 0.55 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2onk h ILE 190 CO 0.11 0.11 -0.05 0.24 0.00 0.00 0.00 178.15 178.56 2onk h MET 191 N 0.59 0.98 0.00 2.37 2.86 -0.38 -1.45 114.93 119.90 2onk h MET 191 Ca 0.56 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.79 2onk h MET 191 Cb 0.97 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2onk h MET 191 CO -0.44 0.99 -0.42 0.66 1.06 0.00 0.00 176.91 178.77 2onk h SER 192 N 0.89 0.00 -0.15 1.22 4.64 0.23 -1.99 113.55 118.40 2onk h SER 192 Ca 0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 2onk h SER 192 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2onk h SER 192 CO 0.04 0.42 -0.26 -0.25 -0.87 0.00 0.00 176.83 175.90 2onk h TRP 193 N 0.00 0.55 -0.20 4.77 7.01 -0.72 -1.89 115.95 125.47 2onk h TRP 193 Ca -0.00 -0.19 0.03 0.00 2.11 0.00 0.00 58.89 60.83 2onk h TRP 193 Cb 0.84 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 2onk h TRP 193 CO 0.00 0.89 0.14 0.00 -2.79 0.00 0.00 178.44 176.68 2onk h ALA 194 N 0.56 2.03 0.06 2.65 0.00 -0.97 -1.22 119.26 122.38 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 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2onk h ALA 194 CO 0.06 -0.07 -0.03 -0.09 0.00 0.00 0.00 179.25 179.12 2onk h ARG 195 N 0.13 -0.07 -0.15 0.00 9.65 -1.11 -2.44 114.38 120.39 2onk h ARG 195 Ca 0.09 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 2onk h ARG 195 Cb 0.19 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 2onk h ARG 195 CO -0.01 0.42 -0.10 0.78 2.80 0.00 0.00 179.97 183.86 2onk h GLY 196 N -0.60 0.02 -0.05 2.80 0.00 -0.87 -1.97 103.07 102.40 2onk h GLY 196 Ca -0.01 0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.58 2onk h GLY 196 CO 0.01 -0.11 0.09 -2.22 0.00 0.00 0.00 176.54 174.31 2onk h ILE 197 N -0.10 0.51 0.00 2.60 2.04 -1.29 -1.84 117.51 119.43 2onk h ILE 197 Ca 0.09 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2onk h ILE 197 Cb 0.23 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2onk h ILE 197 CO -0.21 0.03 0.00 -1.20 0.00 0.00 0.00 178.15 176.78 2onk n SER 198 N -5.22 0.42 -4.77 1.72 7.64 -0.80 -4.76 113.62 107.85 2onk n SER 198 Ca 0.11 0.57 -0.40 0.00 1.01 0.00 0.00 58.87 60.16 2onk n SER 198 Cb 0.40 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.12 4.11 0.00 1.43 2.56 -0.69 -4.95 118.70 118.04 2onk s GLU 199 Ca 0.09 2.20 0.00 0.00 0.00 0.00 0.00 54.97 57.25 2onk s GLU 199 Cb 0.12 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.38 2onk s GLU 199 CO 0.46 -0.39 0.00 0.34 -0.56 0.00 0.00 175.26 175.11 2onk n PHE 200 N 0.38 0.00 -0.04 5.30 7.35 -1.26 -4.77 117.46 124.42 2onk n PHE 200 Ca 0.02 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2onk n PHE 200 Cb 0.43 0.12 -0.01 0.00 0.35 0.00 0.00 39.48 40.37 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 2.60 -2.94 0.32 7.13 0.00 -1.26 -0.93 105.19 110.10 2onk n GLY 201 Ca 0.00 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.83 1.50 0.25 4.61 0.00 -1.85 -3.04 119.26 119.91 2onk h ALA 202 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2onk h ALA 202 Cb 0.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2onk h ALA 202 CO -0.08 -0.36 -0.12 0.28 0.00 0.00 0.00 179.25 178.97 2onk h VAL 203 N 0.40 0.00 -0.69 0.00 2.07 -1.43 -3.32 116.25 113.28 2onk h VAL 203 Ca 0.58 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 68.07 2onk h VAL 203 Cb 1.12 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.77 2onk h VAL 203 CO -0.54 0.00 -0.04 1.33 0.02 0.00 0.00 177.57 178.34 2onk n VAL 204 N -3.49 -0.29 0.51 2.57 0.24 -0.10 0.13 118.33 117.89 2onk n VAL 204 Ca -0.04 1.52 0.07 0.00 -2.04 0.00 0.00 64.34 63.85 2onk n VAL 204 Cb 0.13 -2.19 0.31 0.00 -1.47 0.00 0.00 33.84 30.62 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 -4.98 0.97 -0.11 3.34 0.24 -1.19 -3.54 118.33 113.07 2onk n VAL 205 Ca 0.15 0.24 -0.24 0.00 -2.04 0.00 0.00 64.34 62.45 2onk n VAL 205 Cb 0.48 -1.00 -0.08 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 -1.47 1.25 -3.66 1.34 5.41 0.34 -4.88 119.36 117.68 2onk n ILE 206 Ca 0.04 -0.31 -0.27 0.00 1.00 0.00 0.00 62.75 63.21 2onk n ILE 206 Cb 0.16 -1.81 -0.17 0.00 -0.71 0.00 0.00 39.64 37.11 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 -2.42 0.68 -0.15 -1.39 0.00 -1.08 -2.41 121.76 115.00 2onk s ALA 207 Ca -0.32 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 2onk s ALA 207 Cb 0.12 -1.10 -0.11 0.00 0.00 0.00 0.00 23.12 22.03 2onk s ALA 207 CO 0.40 -1.18 0.14 -0.92 0.00 0.00 0.00 175.76 174.20 2onk h TYR 208 N 8.34 0.00 -0.36 0.00 3.20 -1.81 -3.39 116.97 122.96 2onk h TYR 208 Ca -0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2onk h TYR 208 Cb 1.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2onk h TYR 208 CO 0.21 0.61 0.22 1.88 -1.64 0.00 0.00 178.16 179.44 2onk h TYR 209 N -1.00 0.46 -0.63 -3.82 0.99 -1.91 -3.17 116.97 107.89 2onk h TYR 209 Ca -0.10 0.00 -0.40 0.00 2.00 0.00 0.00 58.73 60.24 2onk h TYR 209 Cb 0.72 -0.15 -0.05 0.00 1.00 0.00 0.00 36.73 38.24 2onk h TYR 209 CO 0.01 0.32 1.21 -1.25 -0.00 0.00 0.00 178.16 178.44 2onk s PRO 210 N -6.06 2.82 0.32 4.88 0.04 -1.26 -4.80 135.00 130.94 2onk s PRO 210 Ca -0.13 -1.10 -0.28 0.00 0.04 0.00 0.00 61.00 59.53 2onk s PRO 210 Cb 0.10 -5.26 -0.13 0.00 0.04 0.00 0.00 34.50 29.25 2onk s PRO 210 CO 0.72 -3.45 1.20 -0.12 0.04 0.00 0.00 177.00 175.39 2onk n MET 211 N 8.47 1.86 -4.22 4.56 1.56 -1.20 -4.99 117.12 123.17 2onk n MET 211 Ca 0.44 0.65 -0.31 0.00 -0.27 0.00 0.00 57.70 58.21 2onk n MET 211 Cb 0.47 -2.16 -0.09 0.00 2.15 0.00 0.00 33.22 33.59 2onk n MET 211 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2onk s ILE 212 N -1.04 3.82 0.25 1.12 1.01 -1.26 -4.61 121.20 120.48 2onk s ILE 212 Ca 0.57 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 2onk s ILE 212 Cb -0.62 -2.78 0.35 0.00 0.01 0.00 0.00 42.46 39.43 2onk s ILE 212 CO 0.61 0.18 1.52 0.00 0.00 0.00 0.00 174.94 177.26 2onk n ALA 213 N 0.83 0.07 -0.36 9.38 0.00 -1.26 -0.05 120.51 129.12 2onk n ALA 213 Ca -0.12 1.03 0.09 0.00 0.00 0.00 0.00 53.44 54.44 2onk n ALA 213 Cb 0.52 -0.55 0.27 0.00 0.00 0.00 0.00 19.45 19.69 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 0.88 0.34 0.00 0.11 -1.86 -2.43 132.00 129.04 2onk h PRO 214 Ca 0.41 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.45 2onk h PRO 214 Cb 0.65 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2onk h PRO 214 CO -0.99 0.58 -0.17 1.15 -0.21 0.00 0.00 178.00 178.36 2onk h THR 215 N 0.90 0.51 -1.21 -1.15 2.02 -0.82 -2.52 112.91 110.64 2onk h THR 215 Ca 0.53 -0.69 0.36 0.00 0.77 0.00 0.00 66.41 67.38 2onk h THR 215 Cb 0.64 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 67.73 2onk h THR 215 CO -0.31 0.11 0.79 0.25 0.37 0.00 0.00 175.52 176.73 2onk h LEU 216 N -0.92 0.30 -0.06 2.58 5.85 -1.12 0.63 115.31 122.56 2onk h LEU 216 Ca -0.05 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 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 -0.22 0.40 -0.34 0.00 0.00 178.44 178.30 2onk h ILE 217 N 0.20 1.43 -0.54 4.05 2.04 -1.40 -2.48 117.51 120.81 2onk h ILE 217 Ca 0.71 -1.61 0.04 0.00 1.00 0.00 0.00 64.86 65.00 2onk h ILE 217 Cb 2.15 2.31 -0.04 0.00 -0.74 0.00 0.00 36.82 40.50 2onk h ILE 217 CO -0.33 0.45 0.30 0.22 0.00 0.00 0.00 178.15 178.80 2onk h TYR 218 N -0.25 0.56 0.41 1.37 3.20 0.48 0.12 116.97 122.86 2onk h TYR 218 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2onk h TYR 218 Cb 0.85 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2onk h TYR 218 CO 0.13 0.30 -0.34 1.49 -1.64 0.00 0.00 178.16 178.09 2onk h GLU 219 N 0.59 -0.72 -0.46 1.82 4.81 -0.33 -0.93 114.58 119.36 2onk h GLU 219 Ca 0.23 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2onk h GLU 219 Cb 0.09 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2onk h GLU 219 CO -0.13 -0.48 0.31 0.00 -0.73 0.00 0.00 179.01 177.97 2onk h ARG 220 N -0.75 0.55 -0.39 1.92 3.08 -1.11 0.60 114.38 118.28 2onk h ARG 220 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2onk h ARG 220 Cb 0.65 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2onk h ARG 220 CO -0.02 0.36 0.26 -0.92 -1.07 0.00 0.00 179.97 178.58 2onk h TYR 221 N 0.56 0.50 -0.05 3.04 3.20 -0.02 0.54 116.97 124.75 2onk h TYR 221 Ca 0.18 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 2onk h TYR 221 Cb 0.03 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.14 2onk h TYR 221 CO -0.00 0.32 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.20 2onk h LEU 222 N 0.53 0.59 -0.08 2.82 3.38 -0.09 -0.93 115.31 121.54 2onk h LEU 222 Ca 0.14 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2onk h LEU 222 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2onk h LEU 222 CO -0.03 1.21 -0.01 0.28 0.09 0.00 0.00 178.44 179.98 2onk h SER 223 N 0.03 0.14 -0.00 -0.43 0.02 0.24 -3.37 113.55 110.16 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 1.26 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2onk h SER 223 CO 0.12 0.44 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.62 2onk n GLU 224 N -4.83 -0.06 0.00 3.45 1.02 0.16 -5.06 120.64 115.33 2onk n GLU 224 Ca -0.07 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 2onk n GLU 224 Cb 0.21 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.23 -4.03 0.32 0.62 0.00 -0.35 -4.48 105.19 97.50 2onk n GLY 225 Ca 0.02 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.53 0.99 5.85 -1.87 -2.94 115.31 116.12 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 -0.49 0.31 -1.20 -0.34 0.00 0.00 178.44 176.71 2onk n SER 227 N -4.23 0.21 -0.08 1.25 7.64 -1.26 0.76 113.62 117.90 2onk n SER 227 Ca -0.10 0.44 0.11 0.00 1.01 0.00 0.00 58.87 60.33 2onk n SER 227 Cb 0.32 -0.39 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.45 3.97 -0.07 -0.43 0.00 -1.11 -4.30 120.51 117.13 2onk n ALA 228 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 2onk n ALA 228 Cb 0.32 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.24 1.69 -0.33 0.00 0.00 0.23 -4.65 120.51 116.20 2onk n ALA 229 Ca 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.71 2onk n ALA 229 Cb 0.35 0.03 0.05 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.04 -0.24 0.00 2.86 -1.59 0.22 114.93 116.14 2onk h MET 230 Ca -0.34 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 2onk h MET 230 Cb 1.70 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 33.30 2onk h MET 230 CO -0.00 -0.02 -0.37 -1.35 1.06 0.00 0.00 176.91 176.22 2onk h PRO 231 N -0.04 -0.36 -0.67 -0.22 0.11 -1.83 0.77 132.00 129.76 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 -0.91 -0.24 0.44 0.28 -0.21 0.00 0.00 178.00 177.36 2onk h VAL 232 N -0.38 1.10 0.44 3.15 2.07 -1.42 0.56 116.25 121.77 2onk h VAL 232 Ca 0.12 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2onk h VAL 232 Cb 0.58 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2onk h VAL 232 CO -0.45 0.15 -0.26 0.00 0.02 0.00 0.00 177.57 177.03 2onk h ALA 233 N 1.61 -1.12 -0.94 1.67 0.00 0.60 0.02 119.26 121.10 2onk h ALA 233 Ca 0.27 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.28 2onk h ALA 233 Cb 0.07 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 2onk h ALA 233 CO -0.07 -1.09 0.45 0.00 0.00 0.00 0.00 179.25 178.54 2onk h ALA 234 N -1.57 1.58 -0.10 0.00 0.00 -0.50 0.56 119.26 119.24 2onk h ALA 234 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2onk h ALA 234 Cb 0.51 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2onk h ALA 234 CO 0.07 -0.37 0.05 0.82 0.00 0.00 0.00 179.25 179.82 2onk h ILE 235 N 0.41 1.01 -0.83 0.00 2.04 -0.67 0.05 117.51 119.53 2onk h ILE 235 Ca 0.61 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 66.39 2onk h ILE 235 Cb 1.20 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2onk h ILE 235 CO -0.54 0.02 0.38 -0.07 0.00 0.00 0.00 178.15 177.94 2onk h LEU 236 N 0.11 1.11 0.15 1.44 3.38 0.19 0.67 115.31 122.37 2onk h LEU 236 Ca 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2onk h LEU 236 Cb -0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 2onk h LEU 236 CO -0.02 0.95 -0.10 0.40 0.09 0.00 0.00 178.44 179.76 2onk h ILE 237 N 1.20 0.00 -0.69 1.22 2.04 0.15 -1.15 117.51 120.28 2onk h ILE 237 Ca 0.28 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.29 2onk h ILE 237 Cb 0.15 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.11 2onk h ILE 237 CO -0.03 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 178.04 2onk h LEU 238 N -0.24 -0.34 -1.73 1.44 3.38 -0.91 0.59 115.31 117.49 2onk h LEU 238 Ca -0.02 0.18 0.24 0.00 0.09 0.00 0.00 57.88 58.37 2onk h LEU 238 Cb 0.19 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2onk h LEU 238 CO 0.02 -0.15 0.63 0.25 0.09 0.00 0.00 178.44 179.27 2onk h LEU 239 N 0.10 0.21 0.02 1.67 6.46 0.52 -1.50 115.31 122.79 2onk h LEU 239 Ca 0.37 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 58.05 2onk h LEU 239 Cb 0.62 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2onk h LEU 239 CO -0.61 0.07 -0.52 0.28 -0.62 0.00 0.00 178.44 177.05 2onk h SER 240 N 0.20 0.05 -0.84 1.25 0.02 0.14 -3.08 113.55 111.29 2onk h SER 240 Ca 0.46 -0.84 0.21 0.00 -0.84 0.00 0.00 61.79 60.78 2onk h SER 240 Cb 1.47 -0.02 -0.15 0.00 0.14 0.00 0.00 62.40 63.85 2onk h SER 240 CO -0.11 1.21 0.08 -0.07 -1.14 0.00 0.00 176.83 176.80 2onk h LEU 241 N -0.92 -0.27 0.45 5.07 3.38 -0.32 0.23 115.31 122.92 2onk h LEU 241 Ca -0.13 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2onk h LEU 241 Cb 1.18 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2onk h LEU 241 CO -0.05 -0.21 -0.25 0.00 0.09 0.00 0.00 178.44 178.02 2onk h ALA 242 N 1.79 -1.13 -1.06 1.53 0.00 -1.43 0.11 119.26 119.06 2onk h ALA 242 Ca 0.49 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.55 2onk h ALA 242 Cb 0.94 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2onk h ALA 242 CO -0.72 -1.10 0.69 0.28 0.00 0.00 0.00 179.25 178.41 2onk h VAL 243 N -0.64 0.49 0.05 0.00 2.07 -1.20 0.21 116.25 117.23 2onk h VAL 243 Ca -0.06 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 67.09 2onk h VAL 243 Cb 0.51 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2onk h VAL 243 CO 0.08 0.06 -1.36 -0.26 0.02 0.00 0.00 177.57 176.11 2onk h PHE 244 N 0.34 0.20 -0.40 1.57 -1.00 -0.89 -2.70 116.94 114.06 2onk h PHE 244 Ca 0.60 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 61.27 2onk h PHE 244 Cb 1.63 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.16 2onk h PHE 244 CO -0.00 1.53 0.27 0.28 -1.61 0.00 0.00 178.31 178.78 2onk h VAL 245 N -0.62 1.01 0.62 -0.55 2.07 -0.55 0.11 116.25 118.34 2onk h VAL 245 Ca -0.33 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2onk h VAL 245 Cb 1.54 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2onk h VAL 245 CO -0.07 0.07 -0.30 0.00 0.02 0.00 0.00 177.57 177.29 2onk h ALA 246 N 1.78 -0.84 -0.88 1.67 0.00 -0.69 -0.68 119.26 119.63 2onk h ALA 246 Ca 0.17 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2onk h ALA 246 Cb 0.18 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2onk h ALA 246 CO -0.04 -0.97 0.57 -0.07 0.00 0.00 0.00 179.25 178.74 2onk h LEU 247 N -0.84 0.75 -0.50 0.00 3.38 -0.86 -1.67 115.31 115.58 2onk h LEU 247 Ca -0.09 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2onk h LEU 247 Cb 0.64 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2onk h LEU 247 CO 0.14 0.43 -0.13 0.03 0.09 0.00 0.00 178.44 179.00 2onk h ARG 248 N 0.82 0.97 0.00 1.13 3.08 -0.52 -2.11 114.38 117.75 2onk h ARG 248 Ca 0.42 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2onk h ARG 248 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2onk h ARG 248 CO -0.18 1.05 0.00 -0.89 -1.07 0.00 0.00 179.97 178.88 2onk n ILE 249 N -4.18 0.93 -1.23 2.04 5.41 -0.29 -0.37 119.36 121.67 2onk n ILE 249 Ca 0.01 0.23 -0.05 0.00 1.00 0.00 0.00 62.75 63.93 2onk n ILE 249 Cb 0.41 -0.99 0.23 0.00 -0.71 0.00 0.00 39.64 38.58 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 -1.58 2.69 -0.46 1.39 5.41 -0.77 -4.42 119.36 121.63 2onk n ILE 250 Ca 0.04 -2.19 0.00 0.00 1.00 0.00 0.00 62.75 61.60 2onk n ILE 250 Cb 0.19 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 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 -0.80 0.00 -0.77 1.39 0.31 -0.73 -5.01 118.33 112.72 2onk n VAL 251 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 2onk n VAL 251 Cb 1.19 0.09 0.00 0.00 -0.91 0.00 0.00 33.84 34.21 2onk n VAL 251 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12