#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fb1 n GLU 56 N 0.00 0.00 -0.18 1.61 2.13 -1.26 -5.03 120.64 117.91 1fb1 n GLU 56 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1fb1 n GLU 56 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1fb1 n GLU 56 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1fb1 n ARG 57 N 12.14 0.00 -1.52 5.31 1.85 -1.26 -4.78 116.66 128.40 1fb1 n ARG 57 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.38 1fb1 n ARG 57 Cb 0.00 -0.05 -0.02 0.00 -1.05 0.00 0.00 32.46 31.33 1fb1 n ARG 57 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1fb1 n PRO 58 N 1.18 0.86 -3.62 2.89 -0.02 -1.26 -4.98 135.00 130.04 1fb1 n PRO 58 Ca 0.00 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 1fb1 n PRO 58 Cb 0.00 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 1fb1 n PRO 58 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fb1 s ARG 59 N -1.19 3.04 0.48 -0.52 3.00 -1.26 -5.01 118.95 117.48 1fb1 s ARG 59 Ca 0.63 -0.93 0.07 0.00 0.00 0.00 0.00 55.73 55.50 1fb1 s ARG 59 Cb -0.81 -3.67 0.08 0.00 0.00 0.00 0.00 34.95 30.56 1fb1 s ARG 59 CO 0.58 -0.58 0.66 -1.13 0.00 0.00 0.00 175.30 174.82 1fb1 n SER 60 N 4.99 1.66 0.00 0.23 3.41 -1.26 -4.59 113.62 118.07 1fb1 n SER 60 Ca -0.13 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1fb1 n SER 60 Cb 0.47 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1fb1 n SER 60 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1fb1 n GLU 61 N -2.06 0.00 0.07 4.33 2.13 -1.26 0.20 120.64 124.06 1fb1 n GLU 61 Ca 0.13 0.11 0.10 0.00 0.66 0.00 0.00 57.16 58.17 1fb1 n GLU 61 Cb 0.48 -1.64 -0.05 0.00 0.27 0.00 0.00 31.44 30.50 1fb1 n GLU 61 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1fb1 n GLU 62 N -0.98 0.62 -0.02 5.31 2.13 -1.26 -2.66 120.64 123.78 1fb1 n GLU 62 Ca 0.00 0.05 0.04 0.00 0.66 0.00 0.00 57.16 57.91 1fb1 n GLU 62 Cb 0.14 -1.75 -0.10 0.00 0.27 0.00 0.00 31.44 30.00 1fb1 n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1fb1 n ASP 63 N -2.60 2.12 -0.19 4.31 10.43 0.55 -3.67 116.55 127.49 1fb1 n ASP 63 Ca -0.02 0.00 0.13 0.00 2.57 0.00 0.00 54.79 57.48 1fb1 n ASP 63 Cb 0.58 1.41 0.69 0.00 1.84 0.00 0.00 41.12 45.64 1fb1 n ASP 63 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1fb1 n ASN 64 N -2.04 0.60 -0.00 -2.24 4.13 0.37 -1.82 115.26 114.25 1fb1 n ASN 64 Ca -0.06 -1.30 0.00 0.00 1.68 0.00 0.00 54.58 54.90 1fb1 n ASN 64 Cb 0.44 -0.01 -0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1fb1 n ASN 64 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1fb1 n GLU 65 N -0.49 3.22 -0.44 3.52 2.13 -1.09 -4.43 120.64 123.06 1fb1 n GLU 65 Ca 0.20 -0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.12 1fb1 n GLU 65 Cb 0.19 -0.78 0.33 0.00 0.27 0.00 0.00 31.44 31.45 1fb1 n GLU 65 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1fb1 n LEU 66 N -1.28 4.18 0.00 4.31 4.77 -0.96 -4.12 117.00 123.91 1fb1 n LEU 66 Ca -0.00 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 1fb1 n LEU 66 Cb 0.01 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1fb1 n LEU 66 CO 0.01 0.93 0.04 0.59 -1.33 0.00 0.00 177.39 177.63 1fb1 n ASN 67 N 1.45 0.15 0.15 -1.43 4.13 -0.76 -4.91 115.26 114.05 1fb1 n ASN 67 Ca 0.25 -0.48 -0.06 0.00 1.68 0.00 0.00 54.58 55.97 1fb1 n ASN 67 Cb 0.70 0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 39.30 1fb1 n ASN 67 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1fb1 h LEU 68 N 0.00 -0.34 -1.50 3.41 5.85 -1.77 -2.62 115.31 118.34 1fb1 h LEU 68 Ca 0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1fb1 h LEU 68 Cb 0.06 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1fb1 h LEU 68 CO 0.00 -0.17 0.66 1.55 -0.34 0.00 0.00 178.44 180.15 1fb1 h PRO 69 N -0.56 0.00 -0.01 5.25 0.13 -1.91 1.43 132.00 136.33 1fb1 h PRO 69 Ca -0.04 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 1fb1 h PRO 69 Cb 0.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.45 1fb1 h PRO 69 CO 0.07 0.00 -0.52 -0.91 -0.23 0.00 0.00 178.00 176.41 1fb1 h ASN 70 N 0.00 0.46 -0.52 1.44 4.21 -1.90 -1.98 115.58 117.30 1fb1 h ASN 70 Ca 0.18 -0.76 -0.05 0.00 1.21 0.00 0.00 56.30 56.87 1fb1 h ASN 70 Cb 1.50 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 38.54 1fb1 h ASN 70 CO -0.00 1.16 0.11 -0.07 -1.29 0.00 0.00 177.43 177.34 1fb1 h LEU 71 N -0.19 0.80 -0.40 1.61 3.38 0.20 -1.10 115.31 119.62 1fb1 h LEU 71 Ca -0.06 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1fb1 h LEU 71 Cb 1.24 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1fb1 h LEU 71 CO 0.10 0.84 0.16 0.00 0.09 0.00 0.00 178.44 179.63 1fb1 h ALA 72 N 0.99 0.48 0.34 1.53 0.00 0.11 -1.09 119.26 121.62 1fb1 h ALA 72 Ca 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fb1 h ALA 72 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1fb1 h ALA 72 CO 0.01 -0.22 -0.28 0.00 0.00 0.00 0.00 179.25 178.75 1fb1 h ALA 73 N 1.24 -0.63 -0.53 0.00 0.00 -1.01 0.75 119.26 119.08 1fb1 h ALA 73 Ca 0.18 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1fb1 h ALA 73 Cb 0.14 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1fb1 h ALA 73 CO -0.17 -0.88 0.19 0.00 0.00 0.00 0.00 179.25 178.39 1fb1 h ALA 74 N -0.07 0.65 -0.18 0.00 0.00 -0.96 0.33 119.26 119.04 1fb1 h ALA 74 Ca -0.02 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1fb1 h ALA 74 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fb1 h ALA 74 CO -0.02 -0.21 -0.26 1.88 0.00 0.00 0.00 179.25 180.64 1fb1 h TYR 75 N 0.37 0.36 -0.43 0.00 -1.99 -1.03 0.25 116.97 114.50 1fb1 h TYR 75 Ca 0.26 -0.07 -0.10 0.00 2.00 0.00 0.00 58.73 60.82 1fb1 h TYR 75 Cb 0.28 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1fb1 h TYR 75 CO -0.16 0.56 -0.13 1.03 -0.00 0.00 0.00 178.16 179.46 1fb1 h SER 76 N 0.30 0.78 0.10 3.88 0.87 0.40 -0.29 113.55 119.58 1fb1 h SER 76 Ca 0.05 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1fb1 h SER 76 Cb 0.61 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1fb1 h SER 76 CO 0.04 0.92 -0.05 -1.28 -0.53 0.00 0.00 176.83 175.94 1fb1 h SER 77 N 0.70 -0.11 -0.54 6.23 0.87 0.54 -3.21 113.55 118.03 1fb1 h SER 77 Ca 0.12 -0.32 0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1fb1 h SER 77 Cb 0.61 0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.49 1fb1 h SER 77 CO 0.04 0.28 -0.22 0.40 -0.53 0.00 0.00 176.83 176.80 1fb1 h ILE 78 N -0.52 0.32 -0.94 2.23 2.04 -0.22 -0.04 117.51 120.38 1fb1 h ILE 78 Ca -0.01 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.13 1fb1 h ILE 78 Cb 0.43 0.32 -0.15 0.00 -0.74 0.00 0.00 36.82 36.67 1fb1 h ILE 78 CO 0.02 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.41 1fb1 h LEU 79 N -0.09 0.07 0.03 1.44 3.38 -1.07 0.55 115.31 119.63 1fb1 h LEU 79 Ca 0.25 0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.32 1fb1 h LEU 79 Cb 0.48 0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1fb1 h LEU 79 CO -0.61 -0.21 -0.47 0.28 0.09 0.00 0.00 178.44 177.52 1fb1 h SER 80 N 0.18 0.36 0.06 -0.43 0.02 -1.06 -2.48 113.55 110.21 1fb1 h SER 80 Ca 0.63 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1fb1 h SER 80 Cb 1.38 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1fb1 h SER 80 CO -0.70 1.15 0.00 0.28 -1.14 0.00 0.00 176.83 176.42 1fb1 h SER 81 N -0.38 0.00 0.16 3.07 0.02 -0.30 0.69 113.55 116.80 1fb1 h SER 81 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1fb1 h SER 81 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1fb1 h SER 81 CO 0.09 0.00 -0.14 0.18 -1.14 0.00 0.00 176.83 175.82 1fb1 n LEU 82 N -2.50 1.08 0.00 5.07 4.77 0.10 -4.95 117.00 120.57 1fb1 n LEU 82 Ca -0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1fb1 n LEU 82 Cb 0.06 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1fb1 n LEU 82 CO 0.13 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1fb1 n GLY 83 N 1.26 0.42 3.97 -0.72 0.00 0.24 -5.06 105.19 105.30 1fb1 n GLY 83 Ca 0.15 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1fb1 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fb1 s GLU 84 N -1.76 2.50 -0.26 1.61 2.56 -0.94 -5.04 118.70 117.37 1fb1 s GLU 84 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 54.97 53.32 1fb1 s GLU 84 Cb 0.00 -2.52 -0.03 0.00 2.00 0.00 0.00 34.13 33.57 1fb1 s GLU 84 CO 0.00 -0.48 0.11 1.21 -0.56 0.00 0.00 175.26 175.54 1fb1 s ASN 85 N -4.38 5.41 0.00 -1.70 3.84 -1.26 -4.44 114.94 112.40 1fb1 s ASN 85 Ca 0.52 -0.19 0.15 0.00 0.21 0.00 0.00 52.86 53.55 1fb1 s ASN 85 Cb -0.06 -1.98 0.89 0.00 -0.55 0.00 0.00 41.25 39.55 1fb1 s ASN 85 CO 0.32 -0.06 1.40 -2.65 -2.79 0.00 0.00 177.10 173.31 1fb1 n PRO 86 N 4.97 0.74 -0.01 0.43 -0.02 -1.26 -2.85 135.00 137.00 1fb1 n PRO 86 Ca -0.15 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.45 1fb1 n PRO 86 Cb 0.51 -1.32 0.20 0.00 -0.02 0.00 0.00 33.50 32.88 1fb1 n PRO 86 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1fb1 n GLN 87 N -0.82 2.18 -2.20 -0.52 3.00 -1.26 -4.06 117.38 113.70 1fb1 n GLN 87 Ca 0.11 -1.71 -0.38 0.00 -0.01 0.00 0.00 57.00 55.01 1fb1 n GLN 87 Cb 0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 30.24 28.82 1fb1 n GLN 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1fb1 s ARG 88 N -1.99 3.82 0.22 -1.09 0.52 -1.13 -4.84 118.95 114.46 1fb1 s ARG 88 Ca 0.31 1.88 -0.09 0.00 -0.52 0.00 0.00 55.73 57.31 1fb1 s ARG 88 Cb 0.20 -2.52 0.33 0.00 0.52 0.00 0.00 34.95 33.49 1fb1 s ARG 88 CO 0.31 -0.53 1.68 0.37 0.02 0.00 0.00 175.30 177.15 1fb1 h GLN 89 N 2.25 0.19 0.41 3.54 4.15 -1.92 -0.47 115.11 123.25 1fb1 h GLN 89 Ca -0.49 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 1fb1 h GLN 89 Cb 1.25 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1fb1 h GLN 89 CO 0.61 0.13 -0.40 0.78 -1.93 0.00 0.00 178.83 178.02 1fb1 h GLY 90 N 0.20 -0.95 -1.35 2.39 0.00 -1.97 -2.91 103.07 98.48 1fb1 h GLY 90 Ca 0.34 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.13 1fb1 h GLY 90 CO -0.48 -0.32 0.00 1.04 0.00 0.00 0.00 176.54 176.77 1fb1 n LEU 91 N -5.49 1.88 -0.03 3.11 4.32 -1.02 -4.36 117.00 115.40 1fb1 n LEU 91 Ca -0.10 -0.95 -0.10 0.00 -0.02 0.00 0.00 56.01 54.84 1fb1 n LEU 91 Cb 0.39 -0.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1fb1 n LEU 91 CO 0.28 0.34 0.92 0.25 -1.22 0.00 0.00 177.39 177.95 1fb1 h LEU 92 N 1.26 0.11 -2.99 2.23 5.85 -0.88 -3.06 115.31 117.82 1fb1 h LEU 92 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1fb1 h LEU 92 Cb 0.66 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1fb1 h LEU 92 CO 0.08 0.09 0.00 0.29 -0.34 0.00 0.00 178.44 178.56 1fb1 n LYS 93 N -5.03 2.91 -0.08 1.25 5.02 -1.26 -4.65 118.16 116.32 1fb1 n LYS 93 Ca -0.03 -2.29 0.11 0.00 -2.02 0.00 0.00 58.31 54.07 1fb1 n LYS 93 Cb 0.06 -1.44 0.48 0.00 -0.02 0.00 0.00 35.03 34.11 1fb1 n LYS 93 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1fb1 h THR 94 N 2.01 0.92 -0.36 -0.18 2.02 -1.74 -2.11 112.91 113.48 1fb1 h THR 94 Ca 0.00 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1fb1 h THR 94 Cb 0.95 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1fb1 h THR 94 CO 0.07 0.08 0.16 1.55 0.37 0.00 0.00 175.52 177.75 1fb1 h PRO 95 N 0.44 0.33 -0.30 6.66 0.13 -1.83 -0.77 132.00 136.67 1fb1 h PRO 95 Ca 0.27 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.39 1fb1 h PRO 95 Cb 0.47 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1fb1 h PRO 95 CO -0.07 0.22 0.18 -1.49 -0.23 0.00 0.00 178.00 176.60 1fb1 h TRP 96 N 0.34 0.33 0.46 1.56 4.06 -1.68 -1.28 115.95 119.74 1fb1 h TRP 96 Ca 0.15 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.09 1fb1 h TRP 96 Cb 0.08 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1fb1 h TRP 96 CO -0.11 0.20 -0.22 0.00 -3.56 0.00 0.00 178.44 174.74 1fb1 h ARG 97 N 0.36 -0.59 0.00 0.49 3.08 -1.15 0.16 114.38 116.73 1fb1 h ARG 97 Ca 0.12 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1fb1 h ARG 97 Cb -0.00 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1fb1 h ARG 97 CO -0.05 -0.35 -0.03 0.00 -1.07 0.00 0.00 179.97 178.46 1fb1 h ALA 98 N -0.20 1.10 0.11 0.04 0.00 -1.13 0.51 119.26 119.69 1fb1 h ALA 98 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fb1 h ALA 98 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1fb1 h ALA 98 CO 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 1fb1 h ALA 99 N 1.97 -0.15 -0.91 0.00 0.00 -0.81 -1.40 119.26 117.96 1fb1 h ALA 99 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1fb1 h ALA 99 Cb 0.23 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1fb1 h ALA 99 CO 0.00 -0.23 0.59 1.03 0.00 0.00 0.00 179.25 180.64 1fb1 h SER 100 N -0.85 1.06 0.74 0.00 0.87 0.00 -1.77 113.55 113.59 1fb1 h SER 100 Ca -0.02 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1fb1 h SER 100 Cb 0.56 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1fb1 h SER 100 CO 0.03 0.77 -0.36 0.00 -0.53 0.00 0.00 176.83 176.74 1fb1 h ALA 101 N 1.33 -1.00 -0.89 6.23 0.00 -0.04 -2.16 119.26 122.73 1fb1 h ALA 101 Ca 0.33 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 55.26 1fb1 h ALA 101 Cb -0.13 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 1fb1 h ALA 101 CO -0.07 -1.03 0.24 1.98 0.00 0.00 0.00 179.25 180.36 1fb1 h MET 102 N -1.05 0.19 -0.43 0.00 -1.53 -0.95 0.55 114.93 111.72 1fb1 h MET 102 Ca -0.10 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.18 1fb1 h MET 102 Cb 0.77 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.74 1fb1 h MET 102 CO 0.17 0.12 0.21 1.96 0.14 0.00 0.00 176.91 179.51 1fb1 h GLN 103 N 0.19 0.40 0.47 0.39 4.20 -1.04 -2.20 115.11 117.53 1fb1 h GLN 103 Ca 0.56 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.24 1fb1 h GLN 103 Cb 1.15 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1fb1 h GLN 103 CO -0.67 0.27 -0.44 0.35 -0.67 0.00 0.00 178.83 177.67 1fb1 h PHE 104 N 0.41 -1.20 0.00 2.96 3.57 0.69 -1.49 116.94 121.88 1fb1 h PHE 104 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1fb1 h PHE 104 Cb 0.10 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1fb1 h PHE 104 CO -0.11 -0.61 0.24 0.74 -2.23 0.00 0.00 178.31 176.35 1fb1 h PHE 105 N -0.91 0.00 -1.69 0.41 -1.00 -0.90 -2.38 116.94 110.48 1fb1 h PHE 105 Ca -0.05 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.18 1fb1 h PHE 105 Cb 0.80 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 39.94 1fb1 h PHE 105 CO -0.22 0.00 -0.79 0.25 -1.61 0.00 0.00 178.31 175.94 1fb1 n THR 106 N -2.75 2.23 0.89 -1.55 -2.24 -0.59 -2.94 114.28 107.33 1fb1 n THR 106 Ca -0.02 -4.85 0.09 0.00 -2.27 0.00 0.00 64.05 57.00 1fb1 n THR 106 Cb 0.29 -1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 67.42 1fb1 n THR 106 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fb1 n LYS 107 N -0.32 0.84 0.28 -0.78 2.85 -0.90 -4.31 118.16 115.82 1fb1 n LYS 107 Ca 0.32 -0.13 0.13 0.00 -1.05 0.00 0.00 58.31 57.59 1fb1 n LYS 107 Cb 0.61 -1.39 0.83 0.00 -0.65 0.00 0.00 35.03 34.43 1fb1 n LYS 107 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1fb1 h GLY 108 N 4.44 0.00 0.97 2.58 0.00 -0.38 -2.48 103.07 108.21 1fb1 h GLY 108 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fb1 h GLY 108 CO 0.00 0.00 0.21 -0.97 0.00 0.00 0.00 176.54 175.78 1fb1 h TYR 109 N 0.00 0.50 0.00 5.60 -1.99 -1.75 -3.24 116.97 116.09 1fb1 h TYR 109 Ca -0.00 -0.01 -0.25 0.00 2.00 0.00 0.00 58.73 60.48 1fb1 h TYR 109 Cb 0.05 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 38.57 1fb1 h TYR 109 CO 0.00 0.38 0.43 0.00 -0.00 0.00 0.00 178.16 178.96 1fb1 n GLN 110 N -4.77 2.05 -3.61 4.88 10.64 -0.93 -4.75 117.38 120.89 1fb1 n GLN 110 Ca -0.00 -1.09 -0.16 0.00 -1.83 0.00 0.00 57.00 53.92 1fb1 n GLN 110 Cb 0.07 -2.08 -0.07 0.00 -0.86 0.00 0.00 30.24 27.29 1fb1 n GLN 110 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1fb1 s GLU 111 N 1.47 0.88 -0.16 2.61 2.02 -1.22 -4.93 118.70 119.37 1fb1 s GLU 111 Ca 0.60 0.44 0.02 0.00 0.02 0.00 0.00 54.97 56.05 1fb1 s GLU 111 Cb 0.26 0.42 0.01 0.00 0.10 0.00 0.00 34.13 34.92 1fb1 s GLU 111 CO -0.01 -0.21 -0.21 0.99 0.02 0.00 0.00 175.26 175.84 1fb1 s THR 112 N -0.60 2.08 0.29 3.63 2.01 -1.26 -5.01 115.64 116.78 1fb1 s THR 112 Ca -0.07 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.01 1fb1 s THR 112 Cb -0.02 -1.85 0.38 0.00 0.01 0.00 0.00 72.50 71.02 1fb1 s THR 112 CO 0.06 0.54 1.43 -0.38 -0.69 0.00 0.00 174.62 175.58 1fb1 n ILE 113 N 4.30 -0.38 -0.18 1.82 -0.00 -1.26 0.11 119.36 123.76 1fb1 n ILE 113 Ca -0.20 1.99 0.09 0.00 -0.00 0.00 0.00 62.75 64.63 1fb1 n ILE 113 Cb 0.51 -2.95 0.39 0.00 -0.00 0.00 0.00 39.64 37.59 1fb1 n ILE 113 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1fb1 h SER 114 N 0.00 0.60 0.78 4.38 0.02 -1.97 0.13 113.55 117.48 1fb1 h SER 114 Ca 0.58 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1fb1 h SER 114 Cb 1.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1fb1 h SER 114 CO -0.84 0.36 -0.42 0.47 -1.14 0.00 0.00 176.83 175.27 1fb1 n ASP 115 N -4.49 0.50 0.07 3.07 10.43 0.30 -3.49 116.55 122.93 1fb1 n ASP 115 Ca 0.12 0.07 -0.17 0.00 2.57 0.00 0.00 54.79 57.38 1fb1 n ASP 115 Cb 0.31 0.01 -0.14 0.00 1.84 0.00 0.00 41.12 43.14 1fb1 n ASP 115 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1fb1 h VAL 116 N 0.00 1.24 0.00 2.53 2.07 -0.01 -3.46 116.25 118.62 1fb1 h VAL 116 Ca 0.00 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.66 1fb1 h VAL 116 Cb 0.60 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1fb1 h VAL 116 CO 0.00 0.83 0.00 0.18 0.02 0.00 0.00 177.57 178.60 1fb1 n LEU 117 N -3.47 0.00 0.00 2.57 4.32 0.25 -4.99 117.00 115.68 1fb1 n LEU 117 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1fb1 n LEU 117 Cb 1.04 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.84 1fb1 n LEU 117 CO 0.51 0.00 0.00 -3.20 -1.22 0.00 0.00 177.39 173.48 1fb1 n ASN 118 N 0.00 0.00 0.00 -1.43 5.15 -1.26 -4.94 115.26 112.78 1fb1 n ASN 118 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1fb1 n ASN 118 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1fb1 n ASN 118 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1fb1 n ASP 119 N 0.05 0.00 -3.01 1.20 10.43 -1.26 -4.69 116.55 119.27 1fb1 n ASP 119 Ca 0.00 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.01 1fb1 n ASP 119 Cb 0.00 0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 1fb1 n ASP 119 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1fb1 n ALA 120 N 0.00 5.75 0.00 2.24 0.00 -1.26 -3.92 120.51 123.32 1fb1 n ALA 120 Ca 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.04 1fb1 n ALA 120 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1fb1 n ALA 120 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1fb1 n ILE 121 N -0.35 0.00 -2.98 0.00 -0.00 -1.25 -4.60 119.36 110.18 1fb1 n ILE 121 Ca 0.45 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.81 1fb1 n ILE 121 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 39.64 40.00 1fb1 n ILE 121 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1fb1 n PHE 122 N 0.00 2.69 0.09 1.39 7.35 -1.26 -2.41 117.46 125.31 1fb1 n PHE 122 Ca 0.00 -2.90 -0.15 0.00 -0.76 0.00 0.00 57.45 53.63 1fb1 n PHE 122 Cb 0.00 -1.08 -0.09 0.00 0.35 0.00 0.00 39.48 38.66 1fb1 n PHE 122 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1fb1 h ASP 123 N 4.78 0.53 0.00 -2.13 3.58 -1.88 -3.46 116.42 117.83 1fb1 h ASP 123 Ca 0.28 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1fb1 h ASP 123 Cb 0.54 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1fb1 h ASP 123 CO 1.19 1.32 0.00 1.21 -2.88 0.00 0.00 179.24 180.08 1fb1 n GLU 124 N -3.67 0.00 -1.91 0.28 2.13 0.82 -4.74 120.64 113.55 1fb1 n GLU 124 Ca -0.08 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.35 1fb1 n GLU 124 Cb 0.93 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.61 1fb1 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1fb1 s ASP 125 N 0.00 5.11 0.05 4.31 3.68 -1.26 -4.03 116.67 124.54 1fb1 s ASP 125 Ca 0.00 0.61 0.00 0.00 2.13 0.00 0.00 52.55 55.29 1fb1 s ASP 125 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1fb1 s ASP 125 CO 0.00 -2.45 0.00 1.57 0.13 0.00 0.00 175.17 174.42 1fb1 n HIS 126 N 13.33 -1.92 -4.39 -5.34 -0.00 -1.26 -5.03 115.22 110.60 1fb1 n HIS 126 Ca 0.25 0.18 -0.38 0.00 0.46 0.00 0.00 57.72 58.23 1fb1 n HIS 126 Cb 0.52 0.72 -0.07 0.00 -0.12 0.00 0.00 29.99 31.04 1fb1 n HIS 126 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1fb1 n ASP 127 N -2.69 -1.40 -3.76 0.26 5.68 -1.25 -4.92 116.55 108.47 1fb1 n ASP 127 Ca 0.00 -1.19 -0.14 0.00 -0.50 0.00 0.00 54.79 52.96 1fb1 n ASP 127 Cb 0.00 -1.93 -0.15 0.00 -1.14 0.00 0.00 41.12 37.90 1fb1 n ASP 127 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1fb1 s GLU 128 N -7.17 0.06 -0.16 0.11 0.41 -1.26 -4.92 118.70 105.76 1fb1 s GLU 128 Ca 0.58 0.31 -0.41 0.00 -0.41 0.00 0.00 54.97 55.03 1fb1 s GLU 128 Cb -0.33 -0.19 -0.19 0.00 -1.78 0.00 0.00 34.13 31.64 1fb1 s GLU 128 CO 0.99 -0.16 1.33 -0.12 -0.49 0.00 0.00 175.26 176.81 1fb1 n MET 129 N 4.13 0.29 -4.33 1.61 0.00 -1.26 -4.42 117.12 113.13 1fb1 n MET 129 Ca -0.26 0.11 -0.30 0.00 0.00 0.00 0.00 57.70 57.25 1fb1 n MET 129 Cb 0.52 -1.65 -0.11 0.00 0.00 0.00 0.00 33.22 31.98 1fb1 n MET 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fb1 s VAL 130 N 1.27 3.04 -0.01 1.12 1.01 -0.56 -5.01 120.40 121.26 1fb1 s VAL 130 Ca 0.95 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1fb1 s VAL 130 Cb -1.27 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1fb1 s VAL 130 CO 0.63 0.15 -0.02 -0.63 0.00 0.00 0.00 175.10 175.23 1fb1 s ILE 131 N -1.13 0.20 -0.41 2.22 1.01 -1.26 -2.23 121.20 119.60 1fb1 s ILE 131 Ca 0.19 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1fb1 s ILE 131 Cb -0.11 -0.20 0.12 0.00 0.01 0.00 0.00 42.46 42.28 1fb1 s ILE 131 CO 0.11 0.08 0.17 -0.69 0.00 0.00 0.00 174.94 174.61 1fb1 s VAL 132 N 0.20 1.86 0.45 2.92 1.01 0.40 -4.98 120.40 122.25 1fb1 s VAL 132 Ca -0.02 -2.51 0.03 0.00 0.00 0.00 0.00 61.98 59.49 1fb1 s VAL 132 Cb -0.04 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1fb1 s VAL 132 CO -0.01 -0.75 0.64 -1.59 0.00 0.00 0.00 175.10 173.39 1fb1 s LYS 133 N 0.54 2.91 -1.34 2.72 -2.85 -1.26 -1.50 119.74 118.95 1fb1 s LYS 133 Ca 0.14 -0.78 -0.07 0.00 -1.00 0.00 0.00 55.97 54.27 1fb1 s LYS 133 Cb -0.22 -2.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 1fb1 s LYS 133 CO -0.06 -0.31 0.50 -0.25 0.10 0.00 0.00 175.35 175.32 1fb1 n ASP 134 N -2.02 -1.56 -4.64 0.03 8.00 -0.89 -4.94 116.55 110.52 1fb1 n ASP 134 Ca 0.04 -1.03 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 1fb1 n ASP 134 Cb 0.58 -3.00 -0.06 0.00 -0.02 0.00 0.00 41.12 38.63 1fb1 n ASP 134 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fb1 s ILE 135 N -3.84 4.97 0.22 0.53 1.01 -0.31 -4.82 121.20 118.95 1fb1 s ILE 135 Ca 0.13 1.25 -0.31 0.00 0.00 0.00 0.00 60.65 61.72 1fb1 s ILE 135 Cb -0.05 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1fb1 s ILE 135 CO 0.89 0.04 1.51 -1.81 0.00 0.00 0.00 174.94 175.57 1fb1 s ASP 136 N 1.34 6.59 -0.06 3.58 1.01 -1.26 -0.20 116.67 127.67 1fb1 s ASP 136 Ca 0.29 2.68 -0.00 0.00 0.71 0.00 0.00 52.55 56.22 1fb1 s ASP 136 Cb -0.16 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.19 1fb1 s ASP 136 CO 0.09 -0.78 -0.01 -0.32 0.21 0.00 0.00 175.17 174.36 1fb1 s MET 137 N 0.27 0.64 -0.12 8.23 -2.45 -0.70 -4.90 119.30 120.27 1fb1 s MET 137 Ca 0.64 0.04 0.03 0.00 -1.25 0.00 0.00 55.69 55.15 1fb1 s MET 137 Cb -0.43 -0.88 0.00 0.00 1.25 0.00 0.00 34.83 34.77 1fb1 s MET 137 CO 0.39 -0.22 -0.21 -0.59 1.05 0.00 0.00 175.02 175.43 1fb1 s PHE 138 N 1.56 2.65 0.34 4.11 -0.12 -1.26 -0.30 117.98 124.96 1fb1 s PHE 138 Ca -0.01 -1.10 0.04 0.00 -0.05 0.00 0.00 56.93 55.81 1fb1 s PHE 138 Cb -0.13 -1.78 -0.03 0.00 -0.63 0.00 0.00 43.02 40.45 1fb1 s PHE 138 CO -0.03 -0.46 0.17 0.45 -0.05 0.00 0.00 175.22 175.30 1fb1 s SER 139 N 0.55 1.96 -0.23 1.98 0.15 -0.71 -4.44 113.70 112.96 1fb1 s SER 139 Ca -0.13 -1.63 0.02 0.00 0.70 0.00 0.00 55.95 54.90 1fb1 s SER 139 Cb -0.17 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1fb1 s SER 139 CO 0.04 -0.94 -0.10 -0.04 1.20 0.00 0.00 173.24 173.41 1fb1 s MET 140 N -3.71 2.03 -0.16 5.44 -1.94 -1.24 -2.13 119.30 117.59 1fb1 s MET 140 Ca 0.33 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 52.97 1fb1 s MET 140 Cb 0.04 -2.64 -0.06 0.00 2.01 0.00 0.00 34.83 34.18 1fb1 s MET 140 CO 0.19 -0.52 2.08 0.00 -0.01 0.00 0.00 175.02 176.76 1fb1 n GLU 142 N 8.35 0.08 -0.05 0.00 0.28 -0.78 0.16 120.64 128.68 1fb1 n GLU 142 Ca 0.26 0.21 -0.14 0.00 -0.16 0.00 0.00 57.16 57.32 1fb1 n GLU 142 Cb 0.44 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.69 1fb1 n GLU 142 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1fb1 h HIS 143 N 0.00 0.08 0.00 -1.84 3.86 -1.88 -3.40 115.15 111.97 1fb1 h HIS 143 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1fb1 h HIS 143 Cb 0.22 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1fb1 h HIS 143 CO 0.00 0.91 0.00 0.72 0.86 0.00 0.00 177.93 180.42 1fb1 n HIS 144 N -4.61 0.00 -2.96 2.45 8.25 -1.19 -5.03 115.22 112.13 1fb1 n HIS 144 Ca -0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.29 1fb1 n HIS 144 Cb 0.46 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.60 1fb1 n HIS 144 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1fb1 n LEU 145 N -0.38 -5.66 -3.72 2.41 4.77 0.43 -5.03 117.00 109.81 1fb1 n LEU 145 Ca 0.00 -0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 55.46 1fb1 n LEU 145 Cb 0.01 -2.95 -0.15 0.00 -2.33 0.00 0.00 43.42 38.00 1fb1 n LEU 145 CO 0.00 -0.40 -0.24 -0.69 -1.33 0.00 0.00 177.39 174.73 1fb1 s VAL 146 N -3.19 -0.11 0.16 4.08 1.01 -1.20 -4.91 120.40 116.24 1fb1 s VAL 146 Ca 0.22 0.24 -0.33 0.00 0.00 0.00 0.00 61.98 62.11 1fb1 s VAL 146 Cb -0.03 -0.25 -0.16 0.00 0.00 0.00 0.00 36.38 35.94 1fb1 s VAL 146 CO 0.65 0.10 1.09 -2.65 0.00 0.00 0.00 175.10 174.29 1fb1 n PRO 147 N 4.56 0.95 -4.55 2.72 -0.02 -1.26 -2.40 135.00 134.99 1fb1 n PRO 147 Ca -0.20 0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 61.39 1fb1 n PRO 147 Cb 0.51 -1.79 -0.16 0.00 -0.02 0.00 0.00 33.50 32.04 1fb1 n PRO 147 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1fb1 s PHE 148 N -0.27 1.32 0.14 6.00 -0.12 -0.91 -1.45 117.98 122.70 1fb1 s PHE 148 Ca 0.74 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 57.25 1fb1 s PHE 148 Cb -0.90 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 40.50 1fb1 s PHE 148 CO 0.53 -0.20 -0.13 0.08 -0.05 0.00 0.00 175.22 175.45 1fb1 s VAL 149 N 0.44 1.32 0.00 -2.49 1.01 -1.12 -1.74 120.40 117.83 1fb1 s VAL 149 Ca -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1fb1 s VAL 149 Cb -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1fb1 s VAL 149 CO 0.02 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1fb1 n GLY 150 N 0.18 0.88 3.38 4.51 0.00 0.59 -0.07 105.19 114.65 1fb1 n GLY 150 Ca -0.13 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1fb1 n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fb1 s LYS 151 N 4.43 1.17 0.08 1.61 1.02 0.11 -1.72 119.74 126.45 1fb1 s LYS 151 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.23 1fb1 s LYS 151 Cb 0.00 0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 37.75 1fb1 s LYS 151 CO 0.00 -0.47 -0.14 0.08 -0.92 0.00 0.00 175.35 173.90 1fb1 s VAL 152 N -3.84 1.15 -0.05 3.17 1.01 0.72 -1.87 120.40 120.69 1fb1 s VAL 152 Ca 0.06 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1fb1 s VAL 152 Cb 0.01 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1fb1 s VAL 152 CO -0.08 -0.25 -0.08 -1.00 0.00 0.00 0.00 175.10 173.70 1fb1 s HIS 153 N -1.40 1.00 -0.09 5.22 0.09 -0.25 -1.16 115.29 118.70 1fb1 s HIS 153 Ca -0.00 -0.32 0.04 0.00 -0.00 0.00 0.00 55.06 54.78 1fb1 s HIS 153 Cb -0.09 -0.79 -0.00 0.00 -0.00 0.00 0.00 32.58 31.69 1fb1 s HIS 153 CO 0.02 -0.21 -0.24 0.42 -0.00 0.00 0.00 174.74 174.74 1fb1 s ILE 154 N 0.73 2.02 -0.26 0.60 1.01 -0.56 -2.11 121.20 122.62 1fb1 s ILE 154 Ca -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.48 1fb1 s ILE 154 Cb -0.14 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.68 1fb1 s ILE 154 CO 0.02 0.55 0.12 -0.83 0.00 0.00 0.00 174.94 174.80 1fb1 s GLY 155 N 0.23 0.46 0.42 6.18 0.00 -0.33 -0.45 107.32 113.83 1fb1 s GLY 155 Ca -0.15 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 43.73 1fb1 s GLY 155 CO 0.07 1.99 0.31 -2.52 0.00 0.00 0.00 173.10 172.96 1fb1 s TYR 156 N 2.11 2.65 -0.40 1.90 -0.00 -0.95 -1.17 117.35 121.49 1fb1 s TYR 156 Ca 0.07 -0.53 0.04 0.00 -0.00 0.00 0.00 57.07 56.65 1fb1 s TYR 156 Cb -0.16 -2.09 0.11 0.00 -0.00 0.00 0.00 41.96 39.82 1fb1 s TYR 156 CO -0.31 -0.02 0.13 -0.51 -0.00 0.00 0.00 175.55 174.84 1fb1 s LEU 157 N -4.05 4.49 0.34 -3.49 1.43 -0.41 -1.50 118.68 115.50 1fb1 s LEU 157 Ca 0.45 -2.44 -0.24 0.00 -1.03 0.00 0.00 54.13 50.86 1fb1 s LEU 157 Cb -0.01 -1.60 -0.14 0.00 0.03 0.00 0.00 46.19 44.47 1fb1 s LEU 157 CO 0.26 -0.33 0.52 -2.65 0.23 0.00 0.00 176.35 174.38 1fb1 n PRO 158 N 3.86 0.43 0.00 1.29 -0.02 -1.26 -2.29 135.00 137.01 1fb1 n PRO 158 Ca 0.04 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1fb1 n PRO 158 Cb 0.38 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1fb1 n PRO 158 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fb1 n ASN 159 N 1.65 0.00 0.00 2.55 5.15 -1.26 -3.82 115.26 119.53 1fb1 n ASN 159 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1fb1 n ASN 159 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 1fb1 n ASN 159 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1fb1 n LYS 160 N -2.38 2.64 -3.87 1.20 5.02 -1.26 -4.61 118.16 114.90 1fb1 n LYS 160 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1fb1 n LYS 160 Cb 0.00 -0.72 -0.13 0.00 -0.02 0.00 0.00 35.03 34.16 1fb1 n LYS 160 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1fb1 s GLN 161 N -1.27 0.12 -0.20 1.97 1.11 -1.26 -0.12 119.66 120.00 1fb1 s GLN 161 Ca 0.00 -0.02 -0.06 0.00 0.01 0.00 0.00 55.36 55.29 1fb1 s GLN 161 Cb 0.00 0.05 -0.03 0.00 -1.01 0.00 0.00 33.01 32.02 1fb1 s GLN 161 CO 0.00 -0.02 0.03 0.08 0.01 0.00 0.00 175.29 175.39 1fb1 s VAL 162 N -0.21 4.26 0.28 1.09 1.01 -1.01 -4.82 120.40 121.00 1fb1 s VAL 162 Ca -0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1fb1 s VAL 162 Cb -0.02 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.34 1fb1 s VAL 162 CO 0.00 0.42 1.15 -0.22 0.00 0.00 0.00 175.10 176.45 1fb1 s LEU 163 N 0.88 4.52 -0.13 3.92 2.96 -1.26 -3.85 118.68 125.71 1fb1 s LEU 163 Ca 0.02 2.35 -0.32 0.00 -0.22 0.00 0.00 54.13 55.95 1fb1 s LEU 163 Cb -0.14 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.82 1fb1 s LEU 163 CO 0.02 -0.24 2.01 0.61 -1.32 0.00 0.00 176.35 177.44 1fb1 n GLY 164 N 1.20 1.31 0.38 7.98 0.00 -1.25 -4.85 105.19 109.95 1fb1 n GLY 164 Ca -0.00 0.85 -0.10 0.00 0.00 0.00 0.00 46.02 46.77 1fb1 n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fb1 n LEU 165 N 8.26 -0.96 -0.40 0.99 4.32 -1.26 -0.21 117.00 127.74 1fb1 n LEU 165 Ca 0.26 1.63 0.38 0.00 -0.02 0.00 0.00 56.01 58.26 1fb1 n LEU 165 Cb 0.33 -0.22 0.74 0.00 -1.62 0.00 0.00 43.42 42.66 1fb1 n LEU 165 CO 0.71 -1.33 1.35 0.77 -1.22 0.00 0.00 177.39 177.67 1fb1 h SER 166 N 0.00 0.04 0.71 -1.43 4.64 -2.02 0.22 113.55 115.71 1fb1 h SER 166 Ca 0.15 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1fb1 h SER 166 Cb 0.38 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1fb1 h SER 166 CO -0.86 -0.00 -0.48 0.11 -0.87 0.00 0.00 176.83 174.72 1fb1 h LYS 167 N 0.03 0.00 0.00 4.77 1.79 -0.95 -2.86 116.57 119.35 1fb1 h LYS 167 Ca 0.65 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 1fb1 h LYS 167 Cb 2.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.16 1fb1 h LYS 167 CO -0.05 0.48 0.00 1.28 -1.08 0.00 0.00 179.45 180.09 1fb1 n LEU 168 N -3.69 0.55 0.04 2.94 4.77 0.76 -0.46 117.00 121.91 1fb1 n LEU 168 Ca -0.01 0.75 0.02 0.00 -0.03 0.00 0.00 56.01 56.74 1fb1 n LEU 168 Cb 0.55 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1fb1 n LEU 168 CO 0.39 -0.91 -0.23 0.00 -1.33 0.00 0.00 177.39 175.31 1fb1 h ALA 169 N 2.02 0.63 -0.02 -1.18 0.00 -1.61 -3.37 119.26 115.73 1fb1 h ALA 169 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 1fb1 h ALA 169 Cb 0.03 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1fb1 h ALA 169 CO 0.00 0.77 -0.39 -0.09 0.00 0.00 0.00 179.25 179.54 1fb1 h ARG 170 N 0.00 0.30 0.00 0.00 9.65 -0.84 -3.05 114.38 120.44 1fb1 h ARG 170 Ca -0.14 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1fb1 h ARG 170 Cb 1.49 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.15 1fb1 h ARG 170 CO 0.04 0.98 0.47 0.82 2.80 0.00 0.00 179.97 185.09 1fb1 h ILE 171 N -0.27 0.00 0.00 1.20 2.04 -1.66 -0.20 117.51 118.62 1fb1 h ILE 171 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1fb1 h ILE 171 Cb 1.11 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1fb1 h ILE 171 CO 0.08 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.78 1fb1 h VAL 172 N 0.00 0.75 0.00 1.67 2.07 -1.70 -3.25 116.25 115.78 1fb1 h VAL 172 Ca 0.00 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1fb1 h VAL 172 Cb 0.94 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1fb1 h VAL 172 CO 0.00 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.76 1fb1 h GLU 173 N -1.00 0.00 0.17 1.57 4.81 -1.03 0.36 114.58 119.45 1fb1 h GLU 173 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 1fb1 h GLU 173 Cb 0.43 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.84 1fb1 h GLU 173 CO -0.00 0.00 -1.24 0.82 -0.73 0.00 0.00 179.01 177.85 1fb1 h ILE 174 N 0.00 1.32 0.00 2.32 2.04 -1.54 -3.12 117.51 118.53 1fb1 h ILE 174 Ca 0.00 -2.54 -0.14 0.00 1.00 0.00 0.00 64.86 63.18 1fb1 h ILE 174 Cb 0.11 2.90 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1fb1 h ILE 174 CO 0.00 0.76 -1.21 1.88 0.00 0.00 0.00 178.15 179.58 1fb1 h TYR 175 N 0.11 0.00 0.06 1.37 0.99 -1.22 -3.38 116.97 114.91 1fb1 h TYR 175 Ca -0.20 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.24 1fb1 h TYR 175 Cb 1.95 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.65 1fb1 h TYR 175 CO 0.14 0.49 -1.48 0.66 -0.00 0.00 0.00 178.16 177.97 1fb1 h SER 176 N 0.00 0.21 0.00 3.88 4.64 -0.50 -3.38 113.55 118.39 1fb1 h SER 176 Ca -0.12 -0.31 -0.60 0.00 -0.47 0.00 0.00 61.79 60.29 1fb1 h SER 176 Cb 1.48 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 63.52 1fb1 h SER 176 CO 0.04 1.26 3.43 0.54 -0.87 0.00 0.00 176.83 181.24 1fb1 n ARG 177 N -3.33 3.14 -3.83 4.77 3.00 -1.18 -4.10 116.66 115.13 1fb1 n ARG 177 Ca -0.14 -2.04 -0.07 0.00 -0.01 0.00 0.00 57.85 55.60 1fb1 n ARG 177 Cb 1.02 -2.76 -0.02 0.00 0.00 0.00 0.00 32.46 30.70 1fb1 n ARG 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1fb1 s ARG 178 N 2.67 1.69 -0.04 5.56 0.52 -1.15 0.30 118.95 128.51 1fb1 s ARG 178 Ca 0.60 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 1fb1 s ARG 178 Cb 0.16 0.58 -0.04 0.00 0.52 0.00 0.00 34.95 36.17 1fb1 s ARG 178 CO -0.05 -0.77 1.30 -0.51 0.02 0.00 0.00 175.30 175.28 1fb1 s LEU 179 N -2.92 4.29 0.35 2.53 1.43 -1.26 -3.65 118.68 119.45 1fb1 s LEU 179 Ca 0.11 1.93 0.06 0.00 -1.03 0.00 0.00 54.13 55.21 1fb1 s LEU 179 Cb -0.05 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1fb1 s LEU 179 CO 0.06 -0.66 0.24 -1.10 0.23 0.00 0.00 176.35 175.11 1fb1 s GLN 180 N 2.44 1.79 0.02 1.70 -1.52 0.23 -4.72 119.66 119.60 1fb1 s GLN 180 Ca 0.59 -2.05 0.05 0.00 -1.95 0.00 0.00 55.36 52.00 1fb1 s GLN 180 Cb -0.27 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.59 1fb1 s GLN 180 CO 0.23 -0.61 -0.14 0.08 -0.25 0.00 0.00 175.29 174.60 1fb1 s VAL 181 N -3.40 1.13 0.09 1.09 1.01 -1.26 -1.87 120.40 117.19 1fb1 s VAL 181 Ca 0.36 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1fb1 s VAL 181 Cb 0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.33 1fb1 s VAL 181 CO 0.24 0.12 1.58 -0.61 0.00 0.00 0.00 175.10 176.43 1fb1 h GLN 182 N 5.23 0.37 -0.98 2.72 4.15 -1.99 -0.06 115.11 124.57 1fb1 h GLN 182 Ca -0.37 -0.09 0.27 0.00 0.77 0.00 0.00 58.65 59.23 1fb1 h GLN 182 Cb 1.17 -0.05 -0.18 0.00 0.21 0.00 0.00 27.48 28.63 1fb1 h GLN 182 CO 0.46 0.48 0.03 0.93 -1.93 0.00 0.00 178.83 178.80 1fb1 h GLU 183 N 0.20 0.02 0.18 1.69 3.07 -2.00 -1.42 114.58 116.32 1fb1 h GLU 183 Ca 0.07 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.63 1fb1 h GLU 183 Cb 0.28 -0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1fb1 h GLU 183 CO 0.00 0.01 -1.44 -0.09 -1.40 0.00 0.00 179.01 176.09 1fb1 h ARG 184 N 0.02 0.39 -0.82 2.33 2.43 -1.94 -3.16 114.38 113.62 1fb1 h ARG 184 Ca 0.59 -0.67 0.18 0.00 -0.81 0.00 0.00 59.98 59.28 1fb1 h ARG 184 Cb 1.21 0.25 -0.11 0.00 -0.42 0.00 0.00 29.97 30.90 1fb1 h ARG 184 CO -0.91 1.32 0.31 1.25 -1.51 0.00 0.00 179.97 180.43 1fb1 h LEU 185 N -0.06 0.23 0.00 3.80 6.46 -0.16 -0.43 115.31 125.15 1fb1 h LEU 185 Ca -0.28 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1fb1 h LEU 185 Cb 1.97 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 42.04 1fb1 h LEU 185 CO 0.18 0.02 0.00 0.41 -0.62 0.00 0.00 178.44 178.43 1fb1 n THR 186 N -5.06 0.00 -0.30 1.05 -1.04 -0.61 -2.46 114.28 105.86 1fb1 n THR 186 Ca 0.18 0.97 0.18 0.00 -2.04 0.00 0.00 64.05 63.34 1fb1 n THR 186 Cb 0.53 -1.94 0.35 0.00 -1.82 0.00 0.00 70.33 67.45 1fb1 n THR 186 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1fb1 n LYS 187 N -0.50 -0.06 0.18 -2.82 4.81 -1.15 -0.13 118.16 118.49 1fb1 n LYS 187 Ca 0.00 1.29 -0.15 0.00 -0.87 0.00 0.00 58.31 58.58 1fb1 n LYS 187 Cb 0.00 -2.14 -0.08 0.00 0.02 0.00 0.00 35.03 32.84 1fb1 n LYS 187 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1fb1 h GLN 188 N 0.00 -0.69 -0.95 1.64 4.20 -1.11 -1.93 115.11 116.27 1fb1 h GLN 188 Ca 0.61 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.54 1fb1 h GLN 188 Cb 1.40 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 29.25 1fb1 h GLN 188 CO -0.78 -0.46 0.60 0.82 -0.67 0.00 0.00 178.83 178.34 1fb1 h ILE 189 N -0.72 0.76 0.00 2.54 2.04 -0.20 -1.06 117.51 120.88 1fb1 h ILE 189 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1fb1 h ILE 189 Cb 0.68 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1fb1 h ILE 189 CO -0.14 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.13 1fb1 n ALA 190 N -2.41 -0.04 -0.01 1.87 0.00 -0.94 -2.60 120.51 116.38 1fb1 n ALA 190 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1fb1 n ALA 190 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1fb1 n ALA 190 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fb1 n VAL 191 N -0.65 0.00 -0.18 0.00 0.31 -0.77 0.12 118.33 117.16 1fb1 n VAL 191 Ca 0.00 0.85 -0.02 0.00 -0.01 0.00 0.00 64.34 65.16 1fb1 n VAL 191 Cb 0.00 -1.13 -0.01 0.00 -0.91 0.00 0.00 33.84 31.79 1fb1 n VAL 191 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fb1 n ALA 192 N -2.55 -0.16 0.24 3.52 0.00 -0.42 0.19 120.51 121.33 1fb1 n ALA 192 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 1fb1 n ALA 192 Cb 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 1fb1 n ALA 192 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1fb1 h ILE 193 N 0.00 0.31 -0.79 0.00 2.04 -0.06 -0.24 117.51 118.76 1fb1 h ILE 193 Ca 0.12 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.15 1fb1 h ILE 193 Cb 0.24 0.31 -0.15 0.00 -0.74 0.00 0.00 36.82 36.48 1fb1 h ILE 193 CO -0.44 0.00 -0.11 0.74 0.00 0.00 0.00 178.15 178.34 1fb1 h THR 194 N -0.73 0.24 0.41 -0.27 2.02 0.30 -1.07 112.91 113.81 1fb1 h THR 194 Ca -0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1fb1 h THR 194 Cb 0.64 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1fb1 h THR 194 CO -0.03 0.01 -0.20 -0.33 0.37 0.00 0.00 175.52 175.34 1fb1 h GLU 195 N 0.04 -0.53 0.00 6.66 5.08 0.44 0.60 114.58 126.86 1fb1 h GLU 195 Ca 0.41 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1fb1 h GLU 195 Cb 0.69 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1fb1 h GLU 195 CO -0.77 -0.35 0.01 0.00 -1.00 0.00 0.00 179.01 176.90 1fb1 n ALA 196 N -2.30 1.22 0.00 3.43 0.00 -0.16 -3.41 120.51 119.29 1fb1 n ALA 196 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1fb1 n ALA 196 Cb 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1fb1 n ALA 196 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fb1 n LEU 197 N -0.98 0.08 -3.50 0.00 4.77 -0.46 -5.01 117.00 111.90 1fb1 n LEU 197 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1fb1 n LEU 197 Cb 0.01 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1fb1 n LEU 197 CO 0.00 0.01 0.17 0.54 -1.33 0.00 0.00 177.39 176.78 1fb1 n ARG 198 N -0.95 -7.19 -0.04 3.23 1.74 0.19 -4.67 116.66 108.98 1fb1 n ARG 198 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1fb1 n ARG 198 Cb 0.12 -5.88 0.00 0.00 -1.02 0.00 0.00 32.46 25.68 1fb1 n ARG 198 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fb1 n PRO 199 N -4.50 0.22 0.02 5.56 -0.04 -1.26 -4.76 135.00 130.24 1fb1 n PRO 199 Ca -0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.26 1fb1 n PRO 199 Cb 0.62 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.98 1fb1 n PRO 199 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fb1 h ALA 200 N -1.90 0.69 -1.42 0.55 0.00 -1.73 -3.48 119.26 111.98 1fb1 h ALA 200 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 54.91 53.96 1fb1 h ALA 200 Cb 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 17.79 17.85 1fb1 h ALA 200 CO 0.00 1.15 0.61 0.20 0.00 0.00 0.00 179.25 181.20 1fb1 s GLY 201 N -4.90 -0.00 -0.02 0.00 0.00 -1.26 -1.30 107.32 99.85 1fb1 s GLY 201 Ca -0.03 2.88 0.04 0.00 0.00 0.00 0.00 44.72 47.61 1fb1 s GLY 201 CO 0.82 1.76 -0.15 0.14 0.00 0.00 0.00 173.10 175.67 1fb1 s VAL 202 N -0.00 1.23 -0.13 1.40 1.01 -0.30 -1.28 120.40 122.33 1fb1 s VAL 202 Ca 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1fb1 s VAL 202 Cb -0.04 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1fb1 s VAL 202 CO -0.08 0.35 0.02 -0.83 0.00 0.00 0.00 175.10 174.56 1fb1 s GLY 203 N -0.22 0.58 -0.15 4.51 0.00 -0.32 0.39 107.32 112.12 1fb1 s GLY 203 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1fb1 s GLY 203 CO 0.00 1.29 -0.19 0.14 0.00 0.00 0.00 173.10 174.33 1fb1 s VAL 204 N 1.92 2.27 -0.07 1.40 1.01 -1.03 -1.18 120.40 124.72 1fb1 s VAL 204 Ca 0.02 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1fb1 s VAL 204 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1fb1 s VAL 204 CO -0.07 0.54 -0.13 0.54 0.00 0.00 0.00 175.10 175.98 1fb1 s VAL 205 N 0.86 1.20 -0.04 2.92 0.11 -0.90 -0.81 120.40 123.75 1fb1 s VAL 205 Ca -0.05 -0.51 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1fb1 s VAL 205 Cb -0.15 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1fb1 s VAL 205 CO -0.02 0.37 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.25 1fb1 s VAL 206 N 0.69 1.46 -0.12 2.04 1.01 -0.70 -1.09 120.40 123.68 1fb1 s VAL 206 Ca -0.14 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1fb1 s VAL 206 Cb -0.16 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1fb1 s VAL 206 CO 0.04 0.42 -0.20 -1.83 0.00 0.00 0.00 175.10 173.52 1fb1 s GLU 207 N -0.02 2.78 -0.01 2.72 -1.05 -0.78 -1.76 118.70 120.58 1fb1 s GLU 207 Ca -0.03 -0.77 -0.07 0.00 -0.15 0.00 0.00 54.97 53.95 1fb1 s GLU 207 Cb -0.11 -2.23 0.01 0.00 -0.44 0.00 0.00 34.13 31.35 1fb1 s GLU 207 CO 0.02 0.02 0.15 0.00 0.95 0.00 0.00 175.26 176.40 1fb1 s ALA 208 N 0.74 -0.36 -0.39 -0.84 0.00 -0.38 -0.71 121.76 119.81 1fb1 s ALA 208 Ca -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 1fb1 s ALA 208 Cb -0.16 0.02 0.09 0.00 0.00 0.00 0.00 23.12 23.07 1fb1 s ALA 208 CO 0.01 -0.18 0.19 0.95 0.00 0.00 0.00 175.76 176.73 1fb1 s THR 209 N -1.06 3.53 0.02 0.00 -4.23 0.89 -0.50 115.64 114.30 1fb1 s THR 209 Ca -0.11 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 58.35 1fb1 s THR 209 Cb -0.06 -3.28 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 1fb1 s THR 209 CO 0.01 -0.54 1.42 -1.00 -0.54 0.00 0.00 174.62 173.97 1fb1 s HIS 210 N 1.25 2.87 -0.00 3.99 3.76 -1.26 -2.78 115.29 123.11 1fb1 s HIS 210 Ca 0.04 0.80 0.32 0.00 -0.15 0.00 0.00 55.06 56.07 1fb1 s HIS 210 Cb -0.22 -3.69 1.27 0.00 1.11 0.00 0.00 32.58 31.05 1fb1 s HIS 210 CO -0.02 -2.55 1.93 1.98 -0.85 0.00 0.00 174.74 175.24 1fb1 h MET 211 N 7.75 0.00 -0.32 1.40 4.05 -1.52 -2.80 114.93 123.49 1fb1 h MET 211 Ca -0.39 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.99 1fb1 h MET 211 Cb 1.18 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 1fb1 h MET 211 CO 0.90 0.00 0.03 0.00 0.23 0.00 0.00 176.91 178.07 1fb1 h MET 213 N 0.47 -0.02 0.00 0.00 2.07 -1.67 -2.12 114.93 113.67 1fb1 h MET 213 Ca 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1fb1 h MET 213 Cb 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1fb1 h MET 213 CO 0.00 0.29 0.09 1.55 1.07 0.00 0.00 176.91 179.91 1fb1 n VAL 214 N -4.74 1.44 0.00 -2.22 3.14 -1.13 -3.63 118.33 111.19 1fb1 n VAL 214 Ca -0.03 0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.80 1fb1 n VAL 214 Cb 0.15 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.48 1fb1 n VAL 214 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fb1 n MET 215 N -1.35 0.00 -0.58 1.45 2.81 -0.62 -4.31 117.12 114.53 1fb1 n MET 215 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1fb1 n MET 215 Cb 0.09 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 32.81 1fb1 n MET 215 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1fb1 s ARG 216 N 0.00 -0.04 0.00 0.03 1.70 -0.79 -2.52 118.95 117.32 1fb1 s ARG 216 Ca 0.00 1.23 0.00 0.00 -0.47 0.00 0.00 55.73 56.49 1fb1 s ARG 216 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 34.95 32.75 1fb1 s ARG 216 CO 0.00 -3.25 0.00 0.41 -1.08 0.00 0.00 175.30 171.38 1fb1 n GLY 217 N 0.62 2.40 0.00 3.88 0.00 -1.26 -4.21 105.19 106.62 1fb1 n GLY 217 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fb1 n GLY 217 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fb1 n VAL 218 N 0.00 0.00 -0.67 1.61 0.24 -1.10 -5.04 118.33 113.38 1fb1 n VAL 218 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1fb1 n VAL 218 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1fb1 n VAL 218 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fb1 n GLN 219 N 0.00 -0.01 -3.89 7.34 10.64 -1.05 -4.97 117.38 125.45 1fb1 n GLN 219 Ca 0.00 0.01 -0.30 0.00 -1.83 0.00 0.00 57.00 54.88 1fb1 n GLN 219 Cb 0.00 -0.01 -0.12 0.00 -0.86 0.00 0.00 30.24 29.24 1fb1 n GLN 219 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1fb1 s LYS 220 N -0.02 2.28 0.74 2.61 3.01 -1.24 -5.00 119.74 122.13 1fb1 s LYS 220 Ca 0.00 -2.90 -0.13 0.00 -1.01 0.00 0.00 55.97 51.93 1fb1 s LYS 220 Cb -0.00 -3.44 0.18 0.00 -1.01 0.00 0.00 37.83 33.56 1fb1 s LYS 220 CO 0.00 -1.19 0.83 -0.12 0.51 0.00 0.00 175.35 175.39 1fb1 n MET 221 N 2.71 -1.61 0.00 1.68 1.56 -1.26 -3.98 117.12 116.22 1fb1 n MET 221 Ca 0.11 -1.30 0.00 0.00 -0.27 0.00 0.00 57.70 56.24 1fb1 n MET 221 Cb 0.34 -1.01 0.00 0.00 2.15 0.00 0.00 33.22 34.69 1fb1 n MET 221 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1fb1 n ASN 222 N -3.90 0.00 -1.98 6.12 5.03 -1.26 -4.82 115.26 114.45 1fb1 n ASN 222 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1fb1 n ASN 222 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 1fb1 n ASN 222 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1fb1 n SER 223 N 1.75 -0.68 -4.84 6.41 3.41 -1.26 -4.76 113.62 113.65 1fb1 n SER 223 Ca 0.00 -0.41 -0.33 0.00 -0.26 0.00 0.00 58.87 57.87 1fb1 n SER 223 Cb 0.00 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 1fb1 n SER 223 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1fb1 s LYS 224 N 1.85 4.05 -0.07 4.33 1.02 -1.26 -4.56 119.74 125.11 1fb1 s LYS 224 Ca 0.00 0.73 0.05 0.00 0.02 0.00 0.00 55.97 56.77 1fb1 s LYS 224 Cb 0.00 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1fb1 s LYS 224 CO 0.00 0.17 -0.23 0.95 -0.92 0.00 0.00 175.35 175.32 1fb1 s THR 225 N -1.94 2.22 -0.06 2.17 -4.23 0.35 -4.96 115.64 109.19 1fb1 s THR 225 Ca 0.53 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.09 1fb1 s THR 225 Cb -0.11 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 1fb1 s THR 225 CO 0.18 0.57 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.93 1fb1 s VAL 226 N -0.13 1.71 0.08 2.29 1.01 -1.26 -1.25 120.40 122.85 1fb1 s VAL 226 Ca -0.04 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1fb1 s VAL 226 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1fb1 s VAL 226 CO 0.04 0.48 -0.11 0.42 0.00 0.00 0.00 175.10 175.93 1fb1 s THR 227 N 0.11 0.93 -0.06 3.92 -4.23 -0.72 -5.00 115.64 110.59 1fb1 s THR 227 Ca -0.08 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1fb1 s THR 227 Cb -0.14 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 72.61 1fb1 s THR 227 CO 0.04 -0.41 0.14 -0.94 -0.54 0.00 0.00 174.62 172.92 1fb1 s SER 228 N -2.04 -0.13 -0.31 3.99 1.04 -1.26 -1.73 113.70 113.26 1fb1 s SER 228 Ca -0.00 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.74 1fb1 s SER 228 Cb -0.07 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.39 1fb1 s SER 228 CO 0.01 -0.10 0.06 0.28 0.98 0.00 0.00 173.24 174.47 1fb1 s THR 229 N 0.59 1.55 -0.03 2.02 -1.32 0.01 -5.00 115.64 113.46 1fb1 s THR 229 Ca -0.04 -1.79 -0.19 0.00 -1.21 0.00 0.00 61.69 58.46 1fb1 s THR 229 Cb -0.06 -2.12 -0.05 0.00 -1.51 0.00 0.00 72.50 68.76 1fb1 s THR 229 CO -0.03 -0.58 0.53 -0.04 -2.21 0.00 0.00 174.62 172.29 1fb1 s MET 230 N 1.28 4.25 0.03 7.08 -1.94 -1.26 -2.45 119.30 126.30 1fb1 s MET 230 Ca 0.09 0.59 0.05 0.00 -1.71 0.00 0.00 55.69 54.71 1fb1 s MET 230 Cb -0.18 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 1fb1 s MET 230 CO -0.16 0.37 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.57 1fb1 s LEU 231 N -0.14 2.15 0.00 -0.03 1.43 0.16 -4.46 118.68 117.80 1fb1 s LEU 231 Ca 0.28 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1fb1 s LEU 231 Cb -0.17 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.41 1fb1 s LEU 231 CO 0.15 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1fb1 n GLY 232 N 2.02 2.63 0.40 -3.19 0.00 -1.26 -1.14 105.19 104.64 1fb1 n GLY 232 Ca -0.17 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 1fb1 n GLY 232 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fb1 h VAL 233 N 0.00 0.02 -1.02 1.61 2.07 -1.53 0.40 116.25 117.80 1fb1 h VAL 233 Ca 0.00 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.77 1fb1 h VAL 233 Cb 0.00 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 29.67 1fb1 h VAL 233 CO 0.00 0.00 0.61 -0.26 0.02 0.00 0.00 177.57 177.94 1fb1 h PHE 234 N -0.05 0.94 0.02 1.57 -1.00 -1.76 1.76 116.94 118.42 1fb1 h PHE 234 Ca 0.25 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.06 1fb1 h PHE 234 Cb 0.53 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1fb1 h PHE 234 CO -0.89 0.05 -0.01 -0.09 -1.61 0.00 0.00 178.31 175.77 1fb1 h ARG 235 N 0.53 -0.02 0.00 1.51 2.43 -0.38 -3.40 114.38 115.04 1fb1 h ARG 235 Ca 0.64 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1fb1 h ARG 235 Cb 1.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1fb1 h ARG 235 CO -0.44 0.32 0.00 0.39 -1.51 0.00 0.00 179.97 178.73 1fb1 n GLU 236 N -4.94 0.00 -1.67 0.20 1.02 0.55 -4.74 120.64 111.06 1fb1 n GLU 236 Ca -0.08 0.16 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 1fb1 n GLU 236 Cb 0.19 -0.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 1fb1 n GLU 236 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fb1 s ASP 237 N -1.87 4.40 0.22 1.62 2.15 0.57 -4.82 116.67 118.95 1fb1 s ASP 237 Ca 0.00 0.47 -0.07 0.00 0.43 0.00 0.00 52.55 53.37 1fb1 s ASP 237 Cb 0.00 -2.53 0.17 0.00 -0.30 0.00 0.00 42.92 40.27 1fb1 s ASP 237 CO 0.00 -3.16 1.78 1.55 -0.17 0.00 0.00 175.17 175.17 1fb1 h PRO 238 N 15.88 1.18 -1.02 4.34 0.13 -1.81 -1.71 132.00 148.99 1fb1 h PRO 238 Ca -0.13 -0.22 0.29 0.00 -0.87 0.00 0.00 66.00 65.07 1fb1 h PRO 238 Cb 1.14 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.03 1fb1 h PRO 238 CO 1.12 0.96 0.72 0.87 -0.23 0.00 0.00 178.00 181.44 1fb1 h LYS 239 N 1.15 0.09 -0.02 0.86 1.79 -1.95 0.26 116.57 118.75 1fb1 h LYS 239 Ca 0.26 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.63 1fb1 h LYS 239 Cb 0.23 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1fb1 h LYS 239 CO -0.02 0.06 -0.35 1.15 -1.08 0.00 0.00 179.45 179.21 1fb1 h THR 240 N 0.09 1.49 0.52 -0.16 2.02 -1.67 -1.71 112.91 113.48 1fb1 h THR 240 Ca 0.50 -1.92 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1fb1 h THR 240 Cb 1.83 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.87 1fb1 h THR 240 CO -0.06 0.54 -0.27 -0.09 0.37 0.00 0.00 175.52 176.01 1fb1 h ARG 241 N -0.33 -0.70 0.28 6.66 2.43 -0.39 0.75 114.38 123.08 1fb1 h ARG 241 Ca -0.04 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1fb1 h ARG 241 Cb 1.07 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1fb1 h ARG 241 CO 0.07 -0.46 -0.20 1.49 -1.51 0.00 0.00 179.97 179.35 1fb1 h GLU 242 N -0.72 -0.46 -0.39 0.20 4.81 -0.87 0.11 114.58 117.25 1fb1 h GLU 242 Ca -0.07 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1fb1 h GLU 242 Cb 0.57 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1fb1 h GLU 242 CO 0.10 -0.31 0.42 1.49 -0.73 0.00 0.00 179.01 179.98 1fb1 h GLU 243 N -0.48 0.00 0.43 1.92 4.81 -1.18 0.13 114.58 120.21 1fb1 h GLU 243 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1fb1 h GLU 243 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1fb1 h GLU 243 CO 0.01 0.00 -0.21 0.35 -0.73 0.00 0.00 179.01 178.43 1fb1 h PHE 244 N 0.00 -0.53 0.00 0.92 3.57 0.50 -3.16 116.94 118.24 1fb1 h PHE 244 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1fb1 h PHE 244 Cb 1.02 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1fb1 h PHE 244 CO 0.00 -0.29 0.00 1.28 -2.23 0.00 0.00 178.31 177.07 1fb1 n LEU 245 N -5.16 0.00 -0.17 0.59 4.77 0.36 -0.59 117.00 116.79 1fb1 n LEU 245 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1fb1 n LEU 245 Cb 0.25 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1fb1 n LEU 245 CO 0.20 0.00 0.29 0.35 -1.33 0.00 0.00 177.39 176.90 1fb1 n THR 246 N -0.81 0.00 0.27 -5.08 -2.24 -0.70 -4.35 114.28 101.37 1fb1 n THR 246 Ca 0.01 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 1fb1 n THR 246 Cb 0.01 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 1fb1 n THR 246 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1fb1 n LEU 247 N 0.13 0.27 -1.60 3.22 7.94 0.24 -4.34 117.00 122.87 1fb1 n LEU 247 Ca 0.03 -0.21 -0.08 0.00 -1.11 0.00 0.00 56.01 54.64 1fb1 n LEU 247 Cb 0.12 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.23 1fb1 n LEU 247 CO 0.04 0.07 0.85 2.30 -1.11 0.00 0.00 177.39 179.54 1fb1 n ILE 248 N -1.72 2.10 0.00 1.96 -5.35 -1.04 -3.79 119.36 111.51 1fb1 n ILE 248 Ca -0.00 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 1fb1 n ILE 248 Cb 0.31 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 1fb1 n ILE 248 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1fb1 n ARG 249 N -0.18 3.09 0.00 6.28 1.74 -1.26 -5.06 116.66 121.27 1fb1 n ARG 249 Ca 0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1fb1 n ARG 249 Cb 1.07 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 32.13 1fb1 n ARG 249 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98