#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upp s GLN 2 N 0.00 3.67 -0.29 3.17 -0.21 -1.26 -5.09 119.66 119.65 1upp s GLN 2 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 55.36 55.27 1upp s GLN 2 Cb 0.00 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 1upp s GLN 2 CO 0.00 0.47 0.19 0.08 -2.12 0.00 0.00 175.29 173.91 1upp s VAL 3 N -1.62 5.24 0.10 1.09 1.01 -1.26 -5.05 120.40 119.90 1upp s VAL 3 Ca 0.40 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 1upp s VAL 3 Cb -0.12 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1upp s VAL 3 CO 0.23 0.19 1.46 0.86 0.00 0.00 0.00 175.10 177.84 1upp s TRP 4 N 1.74 3.03 1.08 5.22 -0.11 -1.26 -4.92 118.94 123.72 1upp s TRP 4 Ca 0.07 0.79 -0.12 0.00 1.22 0.00 0.00 56.10 58.06 1upp s TRP 4 Cb -0.16 -3.76 0.24 0.00 -1.50 0.00 0.00 33.47 28.29 1upp s TRP 4 CO 0.10 -2.76 1.06 -2.14 -4.62 0.00 0.00 176.95 168.59 1upp s PRO 5 N 1.55 -0.26 -0.01 5.86 0.02 -1.26 -5.00 135.00 135.89 1upp s PRO 5 Ca 0.67 0.96 -0.00 0.00 0.02 0.00 0.00 61.00 62.64 1upp s PRO 5 Cb -0.37 -1.62 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 1upp s PRO 5 CO 0.30 -3.32 -0.01 1.51 -0.33 0.00 0.00 177.00 175.15 1upp n ILE 6 N -4.65 0.04 -3.50 2.83 0.13 -1.26 -4.93 119.36 108.01 1upp n ILE 6 Ca 0.05 -0.01 -0.38 0.00 -1.10 0.00 0.00 62.75 61.31 1upp n ILE 6 Cb 0.54 -0.89 -0.06 0.00 -0.84 0.00 0.00 39.64 38.39 1upp n ILE 6 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1upp s LEU 7 N -5.41 4.45 -1.41 9.51 1.43 -1.26 -4.28 118.68 121.71 1upp s LEU 7 Ca -0.01 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 53.92 1upp s LEU 7 Cb 0.00 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1upp s LEU 7 CO 0.01 0.30 1.00 0.59 0.23 0.00 0.00 176.35 178.48 1upp n ASN 8 N 2.02 -4.36 -0.97 2.29 3.02 -1.26 -4.91 115.26 111.09 1upp n ASN 8 Ca -0.14 -0.70 -0.01 0.00 -0.03 0.00 0.00 54.58 53.70 1upp n ASN 8 Cb 0.52 -4.36 0.18 0.00 -0.61 0.00 0.00 39.78 35.51 1upp n ASN 8 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1upp n LEU 9 N -4.66 3.46 -4.59 3.41 4.77 -1.26 -5.04 117.00 113.09 1upp n LEU 9 Ca -0.06 -4.00 -0.47 0.00 -0.03 0.00 0.00 56.01 51.46 1upp n LEU 9 Cb 0.58 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1upp n LEU 9 CO 0.70 1.47 0.69 0.29 -1.33 0.00 0.00 177.39 179.21 1upp n LYS 10 N -1.07 1.32 -4.31 3.23 4.76 -1.26 -4.98 118.16 115.85 1upp n LYS 10 Ca 0.27 0.47 -0.18 0.00 -2.87 0.00 0.00 58.31 55.99 1upp n LYS 10 Cb 0.82 -1.93 -0.10 0.00 -1.84 0.00 0.00 35.03 31.97 1upp n LYS 10 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1upp s LYS 11 N -0.80 1.22 -0.15 1.97 -0.14 -1.26 -5.07 119.74 115.50 1upp s LYS 11 Ca 0.67 -1.47 0.15 0.00 -1.36 0.00 0.00 55.97 53.96 1upp s LYS 11 Cb -0.78 -1.05 0.35 0.00 -1.68 0.00 0.00 37.83 34.67 1upp s LYS 11 CO 0.55 0.18 1.18 0.66 -0.76 0.00 0.00 175.35 177.16 1upp n TYR 12 N -0.05 0.00 -4.33 3.18 4.02 -1.26 -5.09 117.16 113.63 1upp n TYR 12 Ca -0.11 -1.16 0.00 0.00 -0.01 0.00 0.00 57.90 56.62 1upp n TYR 12 Cb 0.59 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1upp n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1upp n GLU 13 N -1.10 0.00 -1.61 -0.72 -0.58 -1.26 -4.62 120.64 110.75 1upp n GLU 13 Ca 0.16 0.00 -0.63 0.00 -0.42 0.00 0.00 57.16 56.27 1upp n GLU 13 Cb 0.70 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.47 1upp n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1upp n THR 14 N 0.00 0.09 0.00 2.62 -1.04 -1.26 -1.73 114.28 112.96 1upp n THR 14 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1upp n THR 14 Cb 0.00 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1upp n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upp n LEU 15 N 5.48 0.00 0.00 -4.42 4.77 -1.26 -4.63 117.00 116.95 1upp n LEU 15 Ca 0.36 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 1upp n LEU 15 Cb 0.01 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.47 1upp n LEU 15 CO 0.87 0.00 0.72 -1.54 -1.33 0.00 0.00 177.39 176.10 1upp n SER 16 N 0.00 0.00 -0.85 -1.43 3.41 -0.70 -1.91 113.62 112.14 1upp n SER 16 Ca 0.00 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1upp n SER 16 Cb 0.00 -0.33 0.09 0.00 -0.26 0.00 0.00 64.21 63.71 1upp n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1upp n TYR 17 N -1.33 0.00 -2.69 7.33 4.02 -1.26 -4.76 117.16 118.46 1upp n TYR 17 Ca 0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.74 1upp n TYR 17 Cb 0.13 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.50 1upp n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1upp s LEU 18 N -2.10 3.25 0.41 7.72 1.43 -0.80 -5.06 118.68 123.54 1upp s LEU 18 Ca 0.26 -0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 52.94 1upp s LEU 18 Cb 0.20 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 1upp s LEU 18 CO 0.36 -1.24 1.33 -2.84 0.23 0.00 0.00 176.35 174.20 1upp s PRO 19 N -4.78 3.92 0.21 1.29 0.02 -1.26 -4.92 135.00 129.49 1upp s PRO 19 Ca 0.59 2.23 -0.23 0.00 0.02 0.00 0.00 61.00 63.60 1upp s PRO 19 Cb -0.09 -2.75 -0.15 0.00 0.02 0.00 0.00 34.50 31.53 1upp s PRO 19 CO 0.39 -0.56 0.37 -2.30 -0.33 0.00 0.00 177.00 174.57 1upp n PRO 20 N 0.08 0.00 -2.29 5.54 -0.02 -1.26 -4.86 135.00 132.20 1upp n PRO 20 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 1upp n PRO 20 Cb 0.43 -0.87 -0.03 0.00 -0.02 0.00 0.00 33.50 33.01 1upp n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upp s LEU 21 N 2.86 4.38 0.86 2.45 1.43 -1.26 -5.02 118.68 124.37 1upp s LEU 21 Ca 0.55 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.73 1upp s LEU 21 Cb -0.75 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 41.99 1upp s LEU 21 CO 0.50 -0.56 1.09 0.42 0.23 0.00 0.00 176.35 178.04 1upp s THR 22 N 0.99 2.84 0.21 5.49 -4.23 -1.26 -4.71 115.64 114.97 1upp s THR 22 Ca 0.61 0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 1upp s THR 22 Cb -0.33 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 70.96 1upp s THR 22 CO 0.30 -0.36 1.62 0.74 -0.54 0.00 0.00 174.62 176.39 1upp h THR 23 N -1.41 0.34 -0.62 3.99 2.02 -1.99 0.24 112.91 115.48 1upp h THR 23 Ca -0.48 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1upp h THR 23 Cb 1.27 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1upp h THR 23 CO 0.55 0.00 0.14 0.44 0.37 0.00 0.00 175.52 177.01 1upp h ASP 24 N -0.00 0.96 -0.33 4.18 3.32 -1.99 -0.16 116.42 122.40 1upp h ASP 24 Ca 0.31 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1upp h ASP 24 Cb 0.48 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1upp h ASP 24 CO -0.68 0.95 0.11 1.56 -1.72 0.00 0.00 179.24 179.47 1upp h GLN 25 N 0.92 0.25 0.29 3.56 4.20 -1.60 -0.27 115.11 122.46 1upp h GLN 25 Ca 0.19 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1upp h GLN 25 Cb 0.38 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1upp h GLN 25 CO 0.01 0.16 -0.39 1.25 -0.67 0.00 0.00 178.83 179.19 1upp h LEU 26 N 0.25 -1.10 -0.84 1.46 5.85 -0.46 -1.63 115.31 118.85 1upp h LEU 26 Ca 0.15 0.11 0.21 0.00 0.84 0.00 0.00 57.88 59.18 1upp h LEU 26 Cb 0.12 0.39 -0.14 0.00 0.37 0.00 0.00 40.66 41.40 1upp h LEU 26 CO -0.15 -0.51 0.17 0.00 -0.34 0.00 0.00 178.44 177.61 1upp h ALA 27 N -0.29 1.12 -0.01 1.25 0.00 -0.59 -1.95 119.26 118.79 1upp h ALA 27 Ca -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1upp h ALA 27 Cb 0.69 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1upp h ALA 27 CO -0.13 -0.44 -0.37 0.00 0.00 0.00 0.00 179.25 178.31 1upp h ARG 28 N 0.19 0.02 -0.31 0.00 2.47 -0.13 -0.30 114.38 116.31 1upp h ARG 28 Ca 0.51 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 59.04 1upp h ARG 28 Cb 0.97 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1upp h ARG 28 CO -0.64 0.39 -0.50 1.96 0.56 0.00 0.00 179.97 181.74 1upp h GLN 29 N 0.02 0.88 -0.71 0.04 1.08 -0.69 -1.99 115.11 113.73 1upp h GLN 29 Ca -0.00 -0.53 0.04 0.00 -1.45 0.00 0.00 58.65 56.71 1upp h GLN 29 Cb 0.67 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.10 1upp h GLN 29 CO 0.05 1.17 0.44 0.28 -0.95 0.00 0.00 178.83 179.82 1upp h VAL 30 N 0.69 1.07 -0.21 -0.54 2.07 -0.89 0.13 116.25 118.56 1upp h VAL 30 Ca 0.03 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1upp h VAL 30 Cb 1.10 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1upp h VAL 30 CO 0.11 0.15 0.11 0.44 0.02 0.00 0.00 177.57 178.40 1upp h ASP 31 N 0.84 0.28 -0.66 0.57 3.32 -1.02 -0.42 116.42 119.33 1upp h ASP 31 Ca 0.29 -0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.35 1upp h ASP 31 Cb 0.06 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1upp h ASP 31 CO -0.13 0.31 -0.25 0.22 -1.72 0.00 0.00 179.24 177.67 1upp h TYR 32 N 0.22 -0.64 -0.49 4.55 3.20 -1.09 0.82 116.97 123.54 1upp h TYR 32 Ca 0.07 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1upp h TYR 32 Cb 0.11 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 1upp h TYR 32 CO -0.03 -0.34 0.21 1.25 -1.64 0.00 0.00 178.16 177.61 1upp h LEU 33 N -0.08 0.26 0.00 2.82 5.85 0.17 -2.11 115.31 122.22 1upp h LEU 33 Ca 0.29 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1upp h LEU 33 Cb 0.53 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1upp h LEU 33 CO -0.71 0.18 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.10 1upp h LEU 34 N 0.41 0.00 -0.82 2.25 3.38 0.63 -3.06 115.31 118.10 1upp h LEU 34 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1upp h LEU 34 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1upp h LEU 34 CO -0.20 0.09 -0.25 0.78 0.09 0.00 0.00 178.44 178.95 1upp h ASN 35 N 0.00 0.00 -0.27 -0.43 2.35 0.12 -1.94 115.58 115.41 1upp h ASN 35 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1upp h ASN 35 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1upp h ASN 35 CO 0.01 0.25 0.00 0.59 -1.65 0.00 0.00 177.43 176.63 1upp n ASN 36 N -3.32 1.72 -3.68 5.81 3.02 -0.97 -4.94 115.26 112.90 1upp n ASN 36 Ca 0.01 -2.06 -0.26 0.00 -0.03 0.00 0.00 54.58 52.25 1upp n ASN 36 Cb 0.49 -0.25 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 1upp n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1upp n LYS 37 N 0.31 -7.36 -4.00 3.52 4.76 -0.73 -4.98 118.16 109.69 1upp n LYS 37 Ca 0.10 0.77 -0.24 0.00 -2.87 0.00 0.00 58.31 56.06 1upp n LYS 37 Cb 0.30 -5.79 -0.03 0.00 -1.84 0.00 0.00 35.03 27.67 1upp n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1upp s TRP 38 N -3.32 3.36 -0.24 2.13 0.51 -1.16 -4.95 118.94 115.27 1upp s TRP 38 Ca 0.60 0.03 -0.20 0.00 -2.12 0.00 0.00 56.10 54.41 1upp s TRP 38 Cb -0.28 -1.58 -0.02 0.00 -0.81 0.00 0.00 33.47 30.78 1upp s TRP 38 CO 0.76 0.50 0.60 0.08 -0.51 0.00 0.00 176.95 178.37 1upp s VAL 39 N -1.85 5.02 0.37 4.03 1.01 -0.31 -4.70 120.40 123.97 1upp s VAL 39 Ca 0.33 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 63.13 1upp s VAL 39 Cb -0.10 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1upp s VAL 39 CO 0.27 0.06 1.07 -2.16 0.00 0.00 0.00 175.10 174.34 1upp s PRO 40 N 2.32 4.28 -0.09 2.72 0.04 -1.26 -0.62 135.00 142.40 1upp s PRO 40 Ca 0.25 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1upp s PRO 40 Cb -0.16 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.68 1upp s PRO 40 CO 0.09 -0.06 0.32 0.00 0.04 0.00 0.00 177.00 177.39 1upp s LEU 42 N -0.33 2.66 0.04 0.00 1.02 -1.26 -0.94 118.68 119.86 1upp s LEU 42 Ca -0.05 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 53.93 1upp s LEU 42 Cb -0.03 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 1upp s LEU 42 CO 0.02 0.34 -0.15 -1.61 0.02 0.00 0.00 176.35 174.97 1upp s GLU 43 N -0.71 1.02 0.13 1.70 2.02 -0.29 -1.59 118.70 120.97 1upp s GLU 43 Ca 0.11 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1upp s GLU 43 Cb -0.11 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 1upp s GLU 43 CO 0.00 0.26 -0.09 -0.59 0.02 0.00 0.00 175.26 174.86 1upp s PHE 44 N -0.84 1.15 -0.14 1.61 -0.71 0.67 -1.69 117.98 118.03 1upp s PHE 44 Ca 0.03 -0.81 -0.06 0.00 -1.04 0.00 0.00 56.93 55.05 1upp s PHE 44 Cb -0.08 -0.61 0.07 0.00 -1.21 0.00 0.00 43.02 41.19 1upp s PHE 44 CO 0.01 0.01 0.31 -2.00 -1.34 0.00 0.00 175.22 172.21 1upp s GLU 45 N -3.77 0.22 -0.17 1.99 2.56 -0.05 -0.13 118.70 119.35 1upp s GLU 45 Ca 0.15 0.77 -0.17 0.00 0.00 0.00 0.00 54.97 55.73 1upp s GLU 45 Cb 0.03 0.03 -0.22 0.00 2.00 0.00 0.00 34.13 35.97 1upp s GLU 45 CO -0.01 -0.24 0.31 1.79 -0.56 0.00 0.00 175.26 176.55 1upp h THR 46 N 6.11 0.86 0.00 -1.70 1.35 -1.85 0.16 112.91 117.83 1upp h THR 46 Ca -0.22 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1upp h THR 46 Cb 1.13 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1upp h THR 46 CO 0.19 0.54 0.00 0.47 -0.25 0.00 0.00 175.52 176.47 1upp n ASP 47 N -4.09 0.00 -4.40 5.36 8.00 -1.26 -4.76 116.55 115.40 1upp n ASP 47 Ca -0.31 0.17 -0.45 0.00 0.71 0.00 0.00 54.79 54.91 1upp n ASP 47 Cb 0.82 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1upp n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upp s HIS 48 N -0.92 3.30 -0.03 1.24 3.76 -1.26 -4.88 115.29 116.51 1upp s HIS 48 Ca 0.00 -1.50 0.15 0.00 -0.15 0.00 0.00 55.06 53.56 1upp s HIS 48 Cb 0.00 -4.09 0.18 0.00 1.11 0.00 0.00 32.58 29.78 1upp s HIS 48 CO 0.00 -1.30 1.49 0.78 -0.85 0.00 0.00 174.74 174.86 1upp h GLY 49 N 9.50 0.00 -3.11 -2.22 0.00 -1.89 -3.46 103.07 101.88 1upp h GLY 49 Ca 0.06 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.83 1upp h GLY 49 CO 0.99 0.00 -0.79 -1.36 0.00 0.00 0.00 176.54 175.38 1upp s PHE 50 N -3.09 1.98 0.73 5.60 0.08 -1.26 -5.10 117.98 116.93 1upp s PHE 50 Ca 0.02 -0.43 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 1upp s PHE 50 Cb 0.09 -0.97 0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1upp s PHE 50 CO 0.74 0.41 1.23 0.08 -0.10 0.00 0.00 175.22 177.59 1upp s VAL 51 N -2.05 2.17 0.24 -0.44 1.01 -1.26 -4.72 120.40 115.34 1upp s VAL 51 Ca 0.19 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 1upp s VAL 51 Cb -0.06 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1upp s VAL 51 CO 0.08 -0.04 0.66 -0.72 0.00 0.00 0.00 175.10 175.08 1upp s TYR 52 N -1.88 -0.26 -0.39 5.22 1.13 -0.86 -4.97 117.35 115.33 1upp s TYR 52 Ca 0.76 -0.11 0.03 0.00 -1.41 0.00 0.00 57.07 56.34 1upp s TYR 52 Cb -0.31 0.62 0.11 0.00 -1.10 0.00 0.00 41.96 41.28 1upp s TYR 52 CO 0.45 -1.09 0.13 1.03 -2.51 0.00 0.00 175.55 173.56 1upp s ARG 53 N -3.87 1.47 -0.22 -3.49 0.52 -1.26 -0.88 118.95 111.22 1upp s ARG 53 Ca 0.08 -1.97 -0.18 0.00 -0.52 0.00 0.00 55.73 53.15 1upp s ARG 53 Cb -0.04 -2.96 -0.14 0.00 0.52 0.00 0.00 34.95 32.33 1upp s ARG 53 CO 0.00 -1.02 -0.04 -1.91 0.02 0.00 0.00 175.30 172.36 1upp n GLU 54 N 3.97 0.55 0.00 3.54 2.13 -1.26 -4.76 120.64 124.81 1upp n GLU 54 Ca 0.04 0.46 0.11 0.00 0.66 0.00 0.00 57.16 58.43 1upp n GLU 54 Cb 0.39 -1.65 0.08 0.00 0.27 0.00 0.00 31.44 30.53 1upp n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1upp n HIS 55 N -4.41 0.05 -3.51 4.31 8.25 -1.26 -4.97 115.22 113.68 1upp n HIS 55 Ca -0.34 0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.01 1upp n HIS 55 Cb 0.68 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 1upp n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1upp s HIS 56 N -3.04 -0.47 -0.07 4.41 2.46 -1.26 -5.05 115.29 112.27 1upp s HIS 56 Ca 0.09 0.57 0.11 0.00 0.47 0.00 0.00 55.06 56.29 1upp s HIS 56 Cb 0.16 0.49 0.16 0.00 -0.13 0.00 0.00 32.58 33.26 1upp s HIS 56 CO 0.78 -0.57 1.07 0.09 -2.47 0.00 0.00 174.74 173.63 1upp n ASN 57 N 0.25 1.38 -4.67 9.88 3.02 -1.26 -4.81 115.26 119.06 1upp n ASN 57 Ca -0.13 -2.58 -0.36 0.00 -0.03 0.00 0.00 54.58 51.48 1upp n ASN 57 Cb 0.60 -0.31 0.08 0.00 -0.61 0.00 0.00 39.78 39.54 1upp n ASN 57 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1upp n SER 58 N -0.82 1.20 -4.44 6.41 3.41 -1.26 -4.90 113.62 113.22 1upp n SER 58 Ca 0.09 0.74 -0.60 0.00 -0.26 0.00 0.00 58.87 58.84 1upp n SER 58 Cb 0.64 -1.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.04 1upp n SER 58 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1upp n PRO 59 N -1.93 0.00 -0.99 4.33 -0.02 -1.26 -1.39 135.00 133.73 1upp n PRO 59 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1upp n PRO 59 Cb 0.49 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1upp n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upp n GLY 60 N 2.20 0.29 3.59 -1.23 0.00 -1.26 -5.00 105.19 103.78 1upp n GLY 60 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1upp n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upp s TYR 61 N -1.59 3.22 0.00 1.61 6.14 -0.49 -5.08 117.35 121.17 1upp s TYR 61 Ca 0.00 0.05 0.01 0.00 0.64 0.00 0.00 57.07 57.77 1upp s TYR 61 Cb 0.00 -2.30 -0.00 0.00 0.42 0.00 0.00 41.96 40.07 1upp s TYR 61 CO 0.00 -0.11 -0.04 0.71 0.64 0.00 0.00 175.55 176.75 1upp s TYR 62 N 1.45 0.34 0.64 4.97 2.02 -1.26 -4.73 117.35 120.77 1upp s TYR 62 Ca 0.07 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1upp s TYR 62 Cb -0.15 -0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 1upp s TYR 62 CO 0.07 -0.01 0.98 -0.51 -1.57 0.00 0.00 175.55 174.51 1upp s ASP 63 N -0.20 5.51 0.00 2.29 1.01 -0.06 -4.53 116.67 120.70 1upp s ASP 63 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.13 1upp s ASP 63 Cb -0.02 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.13 1upp s ASP 63 CO -0.00 -1.19 0.00 0.61 0.21 0.00 0.00 175.17 174.80 1upp n GLY 64 N -2.76 1.29 0.24 0.21 0.00 -1.26 -2.04 105.19 100.87 1upp n GLY 64 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1upp n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1upp h ARG 65 N 3.06 -0.50 -6.49 1.61 3.08 -1.92 -3.42 114.38 109.80 1upp h ARG 65 Ca 0.00 0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.56 1upp h ARG 65 Cb 0.00 0.11 0.03 0.00 0.08 0.00 0.00 29.97 30.20 1upp h ARG 65 CO 0.00 -0.21 1.09 0.71 -1.07 0.00 0.00 179.97 180.49 1upp s TYR 66 N -3.96 2.19 0.24 3.04 2.02 -1.26 -5.02 117.35 114.59 1upp s TYR 66 Ca -0.12 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1upp s TYR 66 Cb 0.01 -4.12 0.03 0.00 -0.40 0.00 0.00 41.96 37.48 1upp s TYR 66 CO 0.41 -4.62 0.25 0.91 -1.57 0.00 0.00 175.55 170.92 1upp n TRP 67 N 5.72 -1.83 -4.37 2.71 7.02 -1.26 -5.09 117.44 120.33 1upp n TRP 67 Ca 0.17 -0.94 -0.32 0.00 -1.02 0.00 0.00 57.50 55.40 1upp n TRP 67 Cb 0.39 -0.21 -0.10 0.00 -2.42 0.00 0.00 31.31 28.97 1upp n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1upp s THR 68 N -0.86 3.74 -0.23 -0.99 -1.32 0.82 -4.88 115.64 111.92 1upp s THR 68 Ca 0.19 -0.82 -0.29 0.00 -1.21 0.00 0.00 61.69 59.55 1upp s THR 68 Cb -0.01 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 68.32 1upp s THR 68 CO 0.12 0.33 1.06 -0.32 -2.21 0.00 0.00 174.62 173.60 1upp s MET 69 N -1.62 4.25 -0.43 7.08 1.75 -1.26 -0.24 119.30 128.83 1upp s MET 69 Ca 0.19 1.38 -0.28 0.00 -1.25 0.00 0.00 55.69 55.73 1upp s MET 69 Cb -0.11 -3.65 -0.01 0.00 2.84 0.00 0.00 34.83 33.89 1upp s MET 69 CO 0.10 -0.64 1.69 -0.46 -0.65 0.00 0.00 175.02 175.06 1upp s TRP 70 N 3.24 1.95 0.00 4.11 -0.11 -0.62 -4.92 118.94 122.59 1upp s TRP 70 Ca 0.45 0.66 0.00 0.00 1.22 0.00 0.00 56.10 58.43 1upp s TRP 70 Cb -0.16 -4.19 0.00 0.00 -1.50 0.00 0.00 33.47 27.63 1upp s TRP 70 CO 0.07 -2.50 0.00 1.63 -4.62 0.00 0.00 176.95 171.53 1upp n LYS 71 N 8.54 0.00 -4.38 5.86 5.02 -1.26 -4.55 118.16 127.39 1upp n LYS 71 Ca 0.20 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.23 1upp n LYS 71 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.40 1upp n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upp s LEU 72 N 0.00 2.98 0.20 -0.35 1.43 -1.26 -5.07 118.68 116.61 1upp s LEU 72 Ca 0.00 -1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.59 1upp s LEU 72 Cb 0.00 -1.18 -0.15 0.00 0.03 0.00 0.00 46.19 44.88 1upp s LEU 72 CO 0.00 -0.45 1.08 -2.65 0.23 0.00 0.00 176.35 174.57 1upp n PRO 73 N -1.07 1.12 -2.70 1.29 -0.02 -1.26 -4.79 135.00 127.57 1upp n PRO 73 Ca -0.03 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 1upp n PRO 73 Cb 0.65 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1upp n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1upp n MET 74 N 1.46 3.39 -2.63 -0.52 2.81 0.28 -4.98 117.12 116.92 1upp n MET 74 Ca 0.14 -3.64 -0.35 0.00 -1.81 0.00 0.00 57.70 52.04 1upp n MET 74 Cb 0.26 -3.08 -0.05 0.00 -0.71 0.00 0.00 33.22 29.64 1upp n MET 74 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1upp s PHE 75 N 1.68 3.19 0.00 2.03 0.08 -1.26 -2.54 117.98 121.16 1upp s PHE 75 Ca 0.44 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.10 1upp s PHE 75 Cb 0.02 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 1upp s PHE 75 CO 0.01 -0.52 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 1upp n GLY 76 N -0.16 2.80 3.69 4.36 0.00 -1.26 -5.00 105.19 109.64 1upp n GLY 76 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1upp n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upp n THR 78 N 3.43 0.00 -4.21 0.00 -2.24 -1.26 -4.98 114.28 105.02 1upp n THR 78 Ca 0.16 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 1upp n THR 78 Cb 0.32 1.44 -0.15 0.00 -2.10 0.00 0.00 70.33 69.83 1upp n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1upp s ASP 79 N -0.04 3.78 0.32 3.42 2.15 -1.26 -5.00 116.67 120.04 1upp s ASP 79 Ca 0.00 -0.48 0.08 0.00 0.43 0.00 0.00 52.55 52.59 1upp s ASP 79 Cb 0.00 -1.61 0.53 0.00 -0.30 0.00 0.00 42.92 41.54 1upp s ASP 79 CO 0.00 0.03 1.74 1.55 -0.17 0.00 0.00 175.17 178.31 1upp h PRO 80 N 7.73 0.17 -0.14 4.34 0.13 -1.96 -2.70 132.00 139.57 1upp h PRO 80 Ca -0.39 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1upp h PRO 80 Cb 1.17 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1upp h PRO 80 CO 0.60 0.55 -0.00 0.00 -0.23 0.00 0.00 178.00 178.92 1upp h ALA 81 N 1.45 1.73 0.00 -0.56 0.00 -1.98 -0.86 119.26 119.04 1upp h ALA 81 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1upp h ALA 81 Cb 0.77 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1upp h ALA 81 CO 0.06 0.21 -0.01 1.96 0.00 0.00 0.00 179.25 181.47 1upp h GLN 82 N 0.20 -0.02 -0.27 0.00 4.20 -1.91 0.26 115.11 117.57 1upp h GLN 82 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1upp h GLN 82 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1upp h GLN 82 CO 0.00 -0.01 -0.03 0.28 -0.67 0.00 0.00 178.83 178.40 1upp h VAL 83 N -0.02 1.27 -0.48 -0.54 2.07 -1.48 -1.77 116.25 115.30 1upp h VAL 83 Ca 0.00 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1upp h VAL 83 Cb 0.02 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1upp h VAL 83 CO -0.01 0.32 0.12 -0.07 0.02 0.00 0.00 177.57 177.95 1upp h LEU 84 N 0.27 0.66 0.25 2.57 3.38 -1.14 -1.49 115.31 119.80 1upp h LEU 84 Ca 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1upp h LEU 84 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1upp h LEU 84 CO 0.02 0.65 -0.20 0.78 0.09 0.00 0.00 178.44 179.79 1upp h ASN 85 N 0.70 -0.52 -0.95 -0.43 2.35 -0.27 -1.44 115.58 115.02 1upp h ASN 85 Ca 0.16 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1upp h ASN 85 Cb 0.25 0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 1upp h ASN 85 CO -0.00 -0.30 0.61 -0.33 -1.65 0.00 0.00 177.43 175.75 1upp h GLU 86 N -0.46 1.09 -0.36 0.81 4.39 -1.10 0.17 114.58 119.12 1upp h GLU 86 Ca -0.01 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.70 1upp h GLU 86 Cb 0.41 -0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 1upp h GLU 86 CO -0.02 0.72 -0.15 1.25 -1.16 0.00 0.00 179.01 179.65 1upp h LEU 87 N 1.12 -0.53 -0.94 1.33 5.85 -1.05 0.11 115.31 121.20 1upp h LEU 87 Ca 0.41 0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.38 1upp h LEU 87 Cb 0.14 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1upp h LEU 87 CO -0.16 -0.19 0.57 -0.33 -0.34 0.00 0.00 178.44 177.99 1upp h GLU 88 N -0.09 0.87 0.07 1.25 4.39 -0.20 0.12 114.58 120.99 1upp h GLU 88 Ca 0.18 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1upp h GLU 88 Cb 0.36 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1upp h GLU 88 CO -0.42 0.58 -0.04 1.49 -1.16 0.00 0.00 179.01 179.46 1upp h GLU 89 N 0.90 -0.10 -0.49 2.33 4.81 -0.16 -1.00 114.58 120.88 1upp h GLU 89 Ca 0.47 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.78 1upp h GLU 89 Cb 0.49 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1upp h GLU 89 CO -0.28 0.29 0.17 0.00 -0.73 0.00 0.00 179.01 178.46 1upp h LYS 91 N 0.34 0.03 -0.79 0.00 1.57 -0.69 0.40 116.57 117.42 1upp h LYS 91 Ca 0.23 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1upp h LYS 91 Cb 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1upp h LYS 91 CO -0.25 0.02 0.33 1.57 -0.57 0.00 0.00 179.45 180.55 1upp h LYS 92 N 0.03 1.16 -0.00 3.15 5.09 -0.28 -2.04 116.57 123.67 1upp h LYS 92 Ca 0.18 -0.20 -0.15 0.00 0.09 0.00 0.00 60.65 60.57 1upp h LYS 92 Cb 0.27 -0.19 -0.02 0.00 0.10 0.00 0.00 32.23 32.39 1upp h LYS 92 CO -0.36 0.93 -0.71 1.49 -2.09 0.00 0.00 179.45 178.71 1upp h GLU 93 N 1.13 0.00 -2.01 0.07 4.81 -0.79 -3.38 114.58 114.41 1upp h GLU 93 Ca 0.26 -0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.93 1upp h GLU 93 Cb 0.19 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.18 1upp h GLU 93 CO -0.02 0.71 -1.08 0.66 -0.73 0.00 0.00 179.01 178.55 1upp n TYR 94 N -3.70 -0.11 0.46 0.92 4.01 0.14 -4.96 117.16 113.93 1upp n TYR 94 Ca -0.01 -3.60 0.12 0.00 -0.16 0.00 0.00 57.90 54.25 1upp n TYR 94 Cb 0.69 -0.36 0.47 0.00 -0.31 0.00 0.00 39.34 39.83 1upp n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1upp n PRO 95 N 1.34 0.22 -0.47 -0.72 -0.04 -0.80 -2.65 135.00 131.88 1upp n PRO 95 Ca 0.22 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 1upp n PRO 95 Cb 0.53 -1.86 0.33 0.00 -0.04 0.00 0.00 33.50 32.46 1upp n PRO 95 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1upp n ASN 96 N -2.26 4.22 -4.75 3.54 3.02 -1.26 -4.60 115.26 113.17 1upp n ASN 96 Ca 0.03 -2.19 -0.34 0.00 -0.03 0.00 0.00 54.58 52.06 1upp n ASN 96 Cb 0.29 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 1upp n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1upp s ALA 97 N -1.39 3.48 0.22 5.41 0.00 -1.08 -4.69 121.76 123.71 1upp s ALA 97 Ca 0.49 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1upp s ALA 97 Cb 0.28 -1.54 -0.09 0.00 0.00 0.00 0.00 23.12 21.78 1upp s ALA 97 CO 0.29 0.66 1.21 -0.06 0.00 0.00 0.00 175.76 177.86 1upp s PHE 98 N -1.10 3.38 -0.06 0.00 0.40 0.56 -3.95 117.98 117.21 1upp s PHE 98 Ca 0.20 1.43 0.03 0.00 -0.60 0.00 0.00 56.93 57.99 1upp s PHE 98 Cb -0.12 -3.47 0.00 0.00 0.51 0.00 0.00 43.02 39.95 1upp s PHE 98 CO 0.10 -1.30 -0.16 0.42 0.70 0.00 0.00 175.22 174.98 1upp s ILE 99 N -0.33 1.38 0.07 0.64 1.01 0.39 -0.87 121.20 123.50 1upp s ILE 99 Ca 0.52 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1upp s ILE 99 Cb -0.34 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1upp s ILE 99 CO 0.40 0.41 -0.18 0.00 0.00 0.00 0.00 174.94 175.56 1upp s ARG 100 N 0.35 1.04 -0.20 2.79 1.70 -0.68 -1.29 118.95 122.65 1upp s ARG 100 Ca -0.11 -0.99 -0.09 0.00 -0.47 0.00 0.00 55.73 54.08 1upp s ARG 100 Cb -0.14 -1.16 -0.04 0.00 -0.57 0.00 0.00 34.95 33.04 1upp s ARG 100 CO 0.04 0.27 0.10 0.42 -1.08 0.00 0.00 175.30 175.05 1upp s ILE 101 N -1.08 5.03 0.35 4.99 1.01 -0.84 -1.14 121.20 129.52 1upp s ILE 101 Ca 0.03 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.83 1upp s ILE 101 Cb -0.09 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1upp s ILE 101 CO 0.03 0.42 -0.01 0.27 0.00 0.00 0.00 174.94 175.65 1upp s ILE 102 N 0.60 2.42 -0.06 2.92 -4.36 -0.12 -1.86 121.20 120.74 1upp s ILE 102 Ca 0.05 -2.02 -0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1upp s ILE 102 Cb -0.12 -2.79 0.02 0.00 1.25 0.00 0.00 42.46 40.82 1upp s ILE 102 CO 0.01 -0.16 -0.02 -0.83 0.24 0.00 0.00 174.94 174.17 1upp s GLY 103 N -3.70 0.46 -0.04 6.27 0.00 -0.33 -1.88 107.32 108.11 1upp s GLY 103 Ca 0.35 -0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.80 1upp s GLY 103 CO 0.19 0.77 0.49 -1.36 0.00 0.00 0.00 173.10 173.18 1upp s PHE 104 N 1.41 3.65 -0.27 1.90 0.08 0.21 -1.02 117.98 123.94 1upp s PHE 104 Ca -0.03 1.03 -0.15 0.00 0.12 0.00 0.00 56.93 57.90 1upp s PHE 104 Cb -0.13 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 1upp s PHE 104 CO -0.03 0.40 0.38 0.34 -0.10 0.00 0.00 175.22 176.21 1upp s ASP 105 N -0.26 6.26 0.17 1.36 -1.08 0.11 -1.16 116.67 122.07 1upp s ASP 105 Ca 0.27 0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.84 1upp s ASP 105 Cb -0.17 -2.21 0.65 0.00 -1.46 0.00 0.00 42.92 39.73 1upp s ASP 105 CO 0.14 -0.19 1.62 -1.54 0.52 0.00 0.00 175.17 175.71 1upp n SER 106 N 5.34 0.76 -0.05 -0.34 3.41 -1.26 -1.00 113.62 120.48 1upp n SER 106 Ca -0.08 0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 58.78 1upp n SER 106 Cb 0.51 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1upp n SER 106 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1upp h ASN 107 N 0.00 0.72 0.11 4.04 2.35 -1.96 -3.21 115.58 117.63 1upp h ASN 107 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1upp h ASN 107 Cb 0.73 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1upp h ASN 107 CO 0.00 1.17 -0.29 0.54 -1.65 0.00 0.00 177.43 177.20 1upp n ARG 108 N -4.19 1.12 -4.28 0.81 1.74 -1.24 -4.96 116.66 105.65 1upp n ARG 108 Ca -0.07 -0.79 -0.30 0.00 -0.77 0.00 0.00 57.85 55.92 1upp n ARG 108 Cb 0.58 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 1upp n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1upp n GLU 109 N -0.25 -1.24 -4.33 5.56 2.13 -0.17 -4.98 120.64 117.37 1upp n GLU 109 Ca 0.12 0.13 -0.22 0.00 0.66 0.00 0.00 57.16 57.85 1upp n GLU 109 Cb 0.40 -3.72 -0.13 0.00 0.27 0.00 0.00 31.44 28.26 1upp n GLU 109 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1upp s VAL 110 N -4.31 1.38 -0.08 6.31 1.01 -0.84 -4.97 120.40 118.89 1upp s VAL 110 Ca 0.02 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1upp s VAL 110 Cb -0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1upp s VAL 110 CO 0.99 -0.05 1.41 -1.10 0.00 0.00 0.00 175.10 176.35 1upp s GLN 111 N -1.54 4.24 -0.05 2.72 -0.21 -1.26 -0.71 119.66 122.84 1upp s GLN 111 Ca 0.03 1.89 0.17 0.00 0.02 0.00 0.00 55.36 57.47 1upp s GLN 111 Cb -0.09 -3.77 -0.26 0.00 1.00 0.00 0.00 33.01 29.89 1upp s GLN 111 CO 0.03 -0.70 0.33 0.00 -2.12 0.00 0.00 175.29 172.82 1upp s ILE 113 N -3.07 2.11 -0.30 0.00 -1.09 -1.16 -4.95 121.20 112.73 1upp s ILE 113 Ca -0.07 -1.67 -0.15 0.00 -2.23 0.00 0.00 60.65 56.54 1upp s ILE 113 Cb 0.10 -1.87 0.17 0.00 -1.58 0.00 0.00 42.46 39.28 1upp s ILE 113 CO 0.72 0.08 1.00 -0.55 -1.23 0.00 0.00 174.94 174.95 1upp s SER 114 N -1.94 -0.56 0.07 3.58 0.15 -1.25 -1.19 113.70 112.56 1upp s SER 114 Ca 0.12 0.71 -0.12 0.00 0.70 0.00 0.00 55.95 57.36 1upp s SER 114 Cb -0.10 1.61 0.01 0.00 -1.71 0.00 0.00 66.02 65.84 1upp s SER 114 CO 0.05 -0.11 0.27 0.72 1.20 0.00 0.00 173.24 175.38 1upp s PHE 115 N 2.49 -0.02 0.01 3.44 -0.71 -0.78 -4.49 117.98 117.92 1upp s PHE 115 Ca -0.02 -0.26 -0.30 0.00 -1.04 0.00 0.00 56.93 55.31 1upp s PHE 115 Cb -0.06 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1upp s PHE 115 CO -0.17 -0.55 1.07 -1.50 -1.34 0.00 0.00 175.22 172.73 1upp s ILE 116 N -3.25 4.53 -0.68 -4.49 1.10 -1.26 -1.99 121.20 115.16 1upp s ILE 116 Ca -0.00 1.82 0.09 0.00 -0.51 0.00 0.00 60.65 62.05 1upp s ILE 116 Cb 0.02 -4.17 -0.04 0.00 0.15 0.00 0.00 42.46 38.42 1upp s ILE 116 CO -0.08 0.13 0.51 0.00 -2.11 0.00 0.00 174.94 173.39 1upp n ALA 117 N 4.04 2.92 -3.60 1.50 0.00 -0.41 -4.90 120.51 120.06 1upp n ALA 117 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 1upp n ALA 117 Cb 0.49 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1upp n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1upp s TYR 118 N -1.50 -0.67 0.12 0.00 5.04 -0.68 -4.96 117.35 114.70 1upp s TYR 118 Ca 0.06 1.30 0.10 0.00 -2.44 0.00 0.00 57.07 56.09 1upp s TYR 118 Cb 0.07 0.40 -0.04 0.00 0.35 0.00 0.00 41.96 42.74 1upp s TYR 118 CO 0.28 -0.33 -0.23 0.15 -1.34 0.00 0.00 175.55 174.08 1upp s LYS 119 N 1.61 1.61 0.69 4.97 1.02 -1.26 -0.46 119.74 127.92 1upp s LYS 119 Ca -0.08 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 54.54 1upp s LYS 119 Cb -0.04 -2.01 0.17 0.00 -0.52 0.00 0.00 37.83 35.43 1upp s LYS 119 CO -0.16 0.47 0.75 -0.35 -0.92 0.00 0.00 175.35 175.14 1upp n PRO 120 N 0.92 -1.62 -2.46 -1.68 -0.04 -1.25 -4.89 135.00 123.97 1upp n PRO 120 Ca -0.17 -1.18 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 1upp n PRO 120 Cb 0.53 -0.94 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 1upp n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upp s ALA 121 N -3.47 3.43 0.00 0.55 0.00 -1.26 -2.62 121.76 118.39 1upp s ALA 121 Ca 0.46 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1upp s ALA 121 Cb -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1upp s ALA 121 CO 0.34 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1upp n GLY 122 N 3.27 0.84 0.00 0.00 0.00 -1.26 -5.17 105.19 102.87 1upp n GLY 122 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1upp n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60