#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 3.28 -0.33 3.17 -0.21 -1.26 -5.09 119.66 119.22 1upp s GLN 2 Ca 0.00 -0.25 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 1upp s GLN 2 Cb 0.00 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1upp s GLN 2 CO 0.00 0.74 0.75 0.08 -2.12 0.00 0.00 175.29 174.74 1upp s VAL 3 N -1.03 4.81 0.15 1.09 1.01 -1.26 -5.04 120.40 120.13 1upp s VAL 3 Ca 0.16 1.00 -0.32 0.00 0.00 0.00 0.00 61.98 62.83 1upp s VAL 3 Cb -0.12 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1upp s VAL 3 CO 0.06 -0.29 1.79 1.87 0.00 0.00 0.00 175.10 178.52 1upp n TRP 4 N 6.20 2.63 -0.47 5.22 -0.00 -1.26 -4.94 117.44 124.83 1upp n TRP 4 Ca 0.02 -0.05 -0.28 0.00 -0.00 0.00 0.00 57.50 57.19 1upp n TRP 4 Cb 0.48 -2.70 0.26 0.00 -0.00 0.00 0.00 31.31 29.35 1upp n TRP 4 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1upp n PRO 5 N 4.97 -2.52 0.00 5.87 -0.02 -1.26 -5.00 135.00 137.03 1upp n PRO 5 Ca 0.17 -0.71 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 1upp n PRO 5 Cb 0.36 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1upp n PRO 5 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1upp n ILE 6 N -5.00 0.00 -4.02 4.25 0.13 -1.26 -4.97 119.36 108.49 1upp n ILE 6 Ca 0.03 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.32 1upp n ILE 6 Cb 0.54 -0.42 -0.07 0.00 -0.84 0.00 0.00 39.64 38.85 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 -4.07 4.14 -1.41 9.51 1.43 -1.26 -4.44 118.68 122.57 1upp s LEU 7 Ca 0.00 0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1upp s LEU 7 Cb 0.00 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1upp s LEU 7 CO 0.00 0.36 0.85 0.59 0.23 0.00 0.00 176.35 178.38 1upp n ASN 8 N 1.75 -3.02 -0.51 2.29 3.02 -1.26 -4.91 115.26 112.63 1upp n ASN 8 Ca -0.17 -0.79 0.06 0.00 -0.03 0.00 0.00 54.58 53.65 1upp n ASN 8 Cb 0.54 -4.01 0.19 0.00 -0.61 0.00 0.00 39.78 35.89 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 -4.49 2.73 -4.48 3.41 4.77 -1.26 -5.04 117.00 112.64 1upp n LEU 9 Ca -0.13 -3.67 -0.49 0.00 -0.03 0.00 0.00 56.01 51.69 1upp n LEU 9 Cb 0.60 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1upp n LEU 9 CO 0.72 1.20 0.31 0.29 -1.33 0.00 0.00 177.39 178.58 1upp n LYS 10 N -1.19 0.47 -4.40 3.23 4.76 -1.26 -5.01 118.16 114.75 1upp n LYS 10 Ca 0.19 0.16 -0.20 0.00 -2.87 0.00 0.00 58.31 55.60 1upp n LYS 10 Cb 0.70 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.87 1.51 -0.02 1.97 -0.14 -1.26 -5.07 119.74 115.87 1upp s LYS 11 Ca 0.68 -1.79 0.19 0.00 -1.36 0.00 0.00 55.97 53.69 1upp s LYS 11 Cb -0.92 -0.87 0.34 0.00 -1.68 0.00 0.00 37.83 34.70 1upp s LYS 11 CO 0.56 -0.09 1.14 0.66 -0.76 0.00 0.00 175.35 176.86 1upp n TYR 12 N -0.56 0.00 -4.50 3.18 4.02 -1.26 -5.09 117.16 112.94 1upp n TYR 12 Ca -0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1upp n TYR 12 Cb 0.65 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 0.26 0.00 -1.67 -0.72 -0.58 -1.26 -4.58 120.64 112.09 1upp n GLU 13 Ca 0.06 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.33 1upp n GLU 13 Cb 1.02 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.84 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 0.13 0.00 2.62 -1.04 -1.26 -1.85 114.28 112.88 1upp n THR 14 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1upp n THR 14 Cb 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 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 4.09 0.00 0.00 -4.42 4.77 -1.26 -4.64 117.00 115.54 1upp n LEU 15 Ca 0.18 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.31 1upp n LEU 15 Cb 0.28 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.18 1upp n LEU 15 CO 0.66 0.00 1.02 -1.54 -1.33 0.00 0.00 177.39 176.20 1upp n SER 16 N 0.00 0.00 -1.18 -1.43 3.41 -0.77 -1.50 113.62 112.15 1upp n SER 16 Ca 0.00 -0.57 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 1upp n SER 16 Cb 0.00 -0.13 0.22 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.13 0.55 -2.99 7.33 4.02 -1.26 -4.77 117.16 118.90 1upp n TYR 17 Ca 0.18 -0.28 -0.18 0.00 -0.01 0.00 0.00 57.90 57.62 1upp n TYR 17 Cb 0.16 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.43 3.63 0.37 7.72 1.43 -0.57 -5.06 118.68 124.77 1upp s LEU 18 Ca 0.40 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 1upp s LEU 18 Cb 0.23 -2.69 -0.11 0.00 0.03 0.00 0.00 46.19 43.64 1upp s LEU 18 CO 0.32 -0.78 1.31 -2.65 0.23 0.00 0.00 176.35 174.77 1upp n PRO 19 N -1.89 2.14 -1.42 1.29 -0.02 -1.26 -4.90 135.00 128.94 1upp n PRO 19 Ca 0.07 0.75 -0.48 0.00 -2.02 0.00 0.00 63.50 61.83 1upp n PRO 19 Cb 0.59 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1upp n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1upp n PRO 20 N 0.41 0.15 -2.24 0.52 -0.02 -1.26 -4.86 135.00 127.71 1upp n PRO 20 Ca 0.05 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 1upp n PRO 20 Cb 0.37 -1.10 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 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 2.71 4.39 0.80 2.45 1.43 -1.26 -5.01 118.68 124.19 1upp s LEU 21 Ca 0.63 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.91 1upp s LEU 21 Cb -0.90 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 41.79 1upp s LEU 21 CO 0.56 -0.57 1.09 0.42 0.23 0.00 0.00 176.35 178.08 1upp s THR 22 N 0.74 3.16 0.27 5.49 -4.23 -1.26 -4.77 115.64 115.04 1upp s THR 22 Ca 0.61 0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1upp s THR 22 Cb -0.35 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 70.72 1upp s THR 22 CO 0.33 -0.49 1.68 0.74 -0.54 0.00 0.00 174.62 176.33 1upp h THR 23 N -1.13 0.44 -0.30 3.99 2.02 -1.99 0.14 112.91 116.08 1upp h THR 23 Ca -0.47 -0.10 -0.13 0.00 0.77 0.00 0.00 66.41 66.49 1upp h THR 23 Cb 1.26 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1upp h THR 23 CO 0.57 0.05 -0.33 0.44 0.37 0.00 0.00 175.52 176.62 1upp h ASP 24 N 0.29 0.68 -0.47 4.18 3.32 -1.99 -2.08 116.42 120.35 1upp h ASP 24 Ca 0.50 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1upp h ASP 24 Cb 0.93 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1upp h ASP 24 CO -0.57 0.96 0.21 1.56 -1.72 0.00 0.00 179.24 179.68 1upp h GLN 25 N 0.55 0.68 0.79 3.56 4.20 -1.45 0.55 115.11 123.98 1upp h GLN 25 Ca 0.06 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1upp h GLN 25 Cb 0.84 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1upp h GLN 25 CO 0.07 0.59 -0.47 1.25 -0.67 0.00 0.00 178.83 179.59 1upp h LEU 26 N 0.61 -1.19 -0.86 1.46 5.85 -0.79 -1.99 115.31 118.41 1upp h LEU 26 Ca 0.16 0.06 0.21 0.00 0.84 0.00 0.00 57.88 59.15 1upp h LEU 26 Cb 0.14 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.39 1upp h LEU 26 CO -0.02 -0.74 0.32 0.00 -0.34 0.00 0.00 178.44 177.67 1upp h ALA 27 N -1.08 1.30 -0.26 1.25 0.00 -1.18 -1.57 119.26 117.72 1upp h ALA 27 Ca -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1upp h ALA 27 Cb 0.94 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1upp h ALA 27 CO 0.11 -0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.11 1upp h ARG 28 N 0.34 0.36 -0.03 0.00 2.47 -0.30 0.13 114.38 117.34 1upp h ARG 28 Ca 0.53 -0.04 -0.20 0.00 -1.26 0.00 0.00 59.98 59.01 1upp h ARG 28 Cb 0.99 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1upp h ARG 28 CO -0.55 0.30 -0.82 1.96 0.56 0.00 0.00 179.97 181.42 1upp h GLN 29 N 0.36 0.35 -0.42 0.04 1.08 -0.60 -1.95 115.11 113.98 1upp h GLN 29 Ca 0.09 -0.34 -0.10 0.00 -1.45 0.00 0.00 58.65 56.86 1upp h GLN 29 Cb 0.08 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1upp h GLN 29 CO -0.01 1.00 -0.12 0.28 -0.95 0.00 0.00 178.83 179.03 1upp h VAL 30 N 0.22 1.27 0.16 -0.54 2.07 -0.74 -0.51 116.25 118.19 1upp h VAL 30 Ca -0.05 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1upp h VAL 30 Cb 1.43 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1upp h VAL 30 CO 0.14 0.41 -0.08 0.44 0.02 0.00 0.00 177.57 178.50 1upp h ASP 31 N 0.64 -0.20 -0.84 0.57 3.32 -0.70 -0.47 116.42 118.75 1upp h ASP 31 Ca 0.10 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.33 1upp h ASP 31 Cb 0.65 0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.10 1upp h ASP 31 CO 0.04 -0.14 -0.22 0.22 -1.72 0.00 0.00 179.24 177.42 1upp h TYR 32 N -0.22 -0.49 -0.29 4.55 3.20 -1.37 0.65 116.97 122.98 1upp h TYR 32 Ca -0.02 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1upp h TYR 32 Cb 0.18 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1upp h TYR 32 CO -0.07 -0.36 0.19 1.25 -1.64 0.00 0.00 178.16 177.53 1upp h LEU 33 N -0.01 0.34 -0.04 2.82 5.85 -0.18 -2.83 115.31 121.26 1upp h LEU 33 Ca 0.39 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1upp h LEU 33 Cb 0.61 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1upp h LEU 33 CO -0.86 0.25 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.35 1upp h LEU 34 N 0.40 0.00 -1.03 2.25 3.38 0.60 -2.85 115.31 118.05 1upp h LEU 34 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1upp h LEU 34 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1upp h LEU 34 CO -0.02 0.06 -0.10 0.78 0.09 0.00 0.00 178.44 179.25 1upp h ASN 35 N 0.00 0.00 -0.41 -0.43 2.35 0.42 -2.23 115.58 115.28 1upp h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1upp h ASN 35 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1upp h ASN 35 CO 0.01 0.10 0.00 0.59 -1.65 0.00 0.00 177.43 176.48 1upp n ASN 36 N -3.20 2.22 -3.81 5.81 3.02 -1.08 -4.94 115.26 113.28 1upp n ASN 36 Ca 0.01 -2.01 -0.27 0.00 -0.03 0.00 0.00 54.58 52.28 1upp n ASN 36 Cb 0.40 -0.28 0.04 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.69 -5.85 -3.93 3.52 4.76 -0.84 -4.98 118.16 111.54 1upp n LYS 37 Ca 0.14 0.65 -0.21 0.00 -2.87 0.00 0.00 58.31 56.02 1upp n LYS 37 Cb 0.35 -5.51 -0.02 0.00 -1.84 0.00 0.00 35.03 28.02 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 -3.38 3.36 -0.21 2.13 0.51 -1.19 -4.94 118.94 115.22 1upp s TRP 38 Ca 0.50 -0.06 -0.07 0.00 -2.12 0.00 0.00 56.10 54.34 1upp s TRP 38 Cb -0.24 -1.60 -0.04 0.00 -0.81 0.00 0.00 33.47 30.78 1upp s TRP 38 CO 0.81 0.39 0.07 0.08 -0.51 0.00 0.00 176.95 177.79 1upp s VAL 39 N -2.03 4.62 0.34 4.03 1.01 -0.58 -4.67 120.40 123.13 1upp s VAL 39 Ca 0.35 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 1upp s VAL 39 Cb -0.09 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1upp s VAL 39 CO 0.29 0.40 0.97 -2.16 0.00 0.00 0.00 175.10 174.60 1upp s PRO 40 N 0.92 4.50 -0.10 2.72 0.04 -1.26 -0.43 135.00 141.39 1upp s PRO 40 Ca 0.04 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 1upp s PRO 40 Cb -0.14 -2.75 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1upp s PRO 40 CO 0.03 0.19 0.25 0.00 0.04 0.00 0.00 177.00 177.51 1upp s LEU 42 N 0.36 4.25 -0.01 0.00 1.02 -1.26 0.22 118.68 123.26 1upp s LEU 42 Ca -0.02 0.56 -0.03 0.00 0.02 0.00 0.00 54.13 54.66 1upp s LEU 42 Cb -0.03 -3.29 0.00 0.00 0.02 0.00 0.00 46.19 42.88 1upp s LEU 42 CO -0.02 0.03 0.06 -1.61 0.02 0.00 0.00 176.35 174.83 1upp s GLU 43 N -2.80 0.17 0.13 1.70 2.02 -0.60 -2.73 118.70 116.60 1upp s GLU 43 Ca 0.41 -0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.34 1upp s GLU 43 Cb -0.12 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 1upp s GLU 43 CO 0.26 -0.03 -0.10 -0.59 0.02 0.00 0.00 175.26 174.82 1upp s PHE 44 N -0.41 1.19 -0.19 1.61 -0.71 -0.02 -1.52 117.98 117.93 1upp s PHE 44 Ca -0.05 -0.76 -0.08 0.00 -1.04 0.00 0.00 56.93 55.00 1upp s PHE 44 Cb -0.03 -0.62 0.08 0.00 -1.21 0.00 0.00 43.02 41.24 1upp s PHE 44 CO 0.00 0.04 0.42 -2.00 -1.34 0.00 0.00 175.22 172.34 1upp s GLU 45 N -3.61 0.34 -0.17 1.99 2.56 -0.45 -0.63 118.70 118.73 1upp s GLU 45 Ca 0.14 0.95 -0.09 0.00 0.00 0.00 0.00 54.97 55.98 1upp s GLU 45 Cb 0.02 0.21 -0.22 0.00 2.00 0.00 0.00 34.13 36.14 1upp s GLU 45 CO -0.00 -0.22 0.19 0.25 -0.56 0.00 0.00 175.26 174.91 1upp n THR 46 N 5.03 1.67 -0.02 -1.70 -2.24 -1.26 0.05 114.28 115.81 1upp n THR 46 Ca -0.13 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 1upp n THR 46 Cb 0.51 -1.75 -0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1upp n THR 46 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1upp n ASP 47 N -3.69 0.37 -4.36 3.42 8.00 -1.26 -4.81 116.55 114.22 1upp n ASP 47 Ca -0.36 0.16 -0.45 0.00 0.71 0.00 0.00 54.79 54.85 1upp n ASP 47 Cb 0.95 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.32 3.23 -0.16 1.24 3.76 -1.26 -4.88 115.29 115.89 1upp s HIS 48 Ca -0.05 -1.30 0.17 0.00 -0.15 0.00 0.00 55.06 53.74 1upp s HIS 48 Cb 0.01 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.71 1upp s HIS 48 CO 0.07 -1.19 1.06 0.78 -0.85 0.00 0.00 174.74 174.62 1upp h GLY 49 N 9.30 0.00 -2.98 -2.22 0.00 -1.91 -3.46 103.07 101.80 1upp h GLY 49 Ca -0.17 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.58 1upp h GLY 49 CO 1.02 0.00 -0.79 -1.36 0.00 0.00 0.00 176.54 175.41 1upp s PHE 50 N -3.01 2.06 0.81 5.60 0.08 -1.26 -5.09 117.98 117.18 1upp s PHE 50 Ca -0.00 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.50 1upp s PHE 50 Cb 0.08 -0.99 0.09 0.00 -0.57 0.00 0.00 43.02 41.63 1upp s PHE 50 CO 0.78 0.47 1.21 0.08 -0.10 0.00 0.00 175.22 177.66 1upp s VAL 51 N -2.09 2.02 0.22 -0.44 1.01 -1.26 -4.69 120.40 115.16 1upp s VAL 51 Ca 0.21 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1upp s VAL 51 Cb -0.06 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1upp s VAL 51 CO 0.09 -0.01 0.87 -0.72 0.00 0.00 0.00 175.10 175.34 1upp s TYR 52 N -2.16 -0.11 -0.36 5.22 1.13 -0.99 -4.96 117.35 115.12 1upp s TYR 52 Ca 0.73 -0.29 0.01 0.00 -1.41 0.00 0.00 57.07 56.11 1upp s TYR 52 Cb -0.29 0.69 0.11 0.00 -1.10 0.00 0.00 41.96 41.37 1upp s TYR 52 CO 0.51 -1.04 0.15 1.03 -2.51 0.00 0.00 175.55 173.69 1upp s ARG 53 N -3.31 1.03 -0.27 -3.49 0.52 -1.26 -1.26 118.95 110.92 1upp s ARG 53 Ca 0.13 -1.53 -0.11 0.00 -0.52 0.00 0.00 55.73 53.70 1upp s ARG 53 Cb -0.03 -2.28 -0.14 0.00 0.52 0.00 0.00 34.95 33.02 1upp s ARG 53 CO 0.05 -1.05 -0.26 -1.91 0.02 0.00 0.00 175.30 172.15 1upp n GLU 54 N 4.28 0.60 0.00 3.54 2.13 -1.26 -4.75 120.64 125.18 1upp n GLU 54 Ca 0.03 0.27 0.10 0.00 0.66 0.00 0.00 57.16 58.21 1upp n GLU 54 Cb 0.39 -1.53 -0.11 0.00 0.27 0.00 0.00 31.44 30.47 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 -4.04 0.00 -3.57 4.31 8.25 -1.26 -4.99 115.22 113.91 1upp n HIS 55 Ca -0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 56.85 1upp n HIS 55 Cb 0.90 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.96 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 -2.92 -0.37 -0.05 4.41 2.46 -1.26 -5.06 115.29 112.50 1upp s HIS 56 Ca 0.09 0.60 0.08 0.00 0.47 0.00 0.00 55.06 56.30 1upp s HIS 56 Cb 0.16 0.46 0.12 0.00 -0.13 0.00 0.00 32.58 33.19 1upp s HIS 56 CO 0.83 -0.36 1.00 0.09 -2.47 0.00 0.00 174.74 173.84 1upp n ASN 57 N 0.64 1.57 -4.72 9.88 3.02 -1.26 -4.83 115.26 119.57 1upp n ASN 57 Ca -0.10 -2.34 -0.35 0.00 -0.03 0.00 0.00 54.58 51.77 1upp n ASN 57 Cb 0.58 -0.21 0.10 0.00 -0.61 0.00 0.00 39.78 39.64 1upp n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1upp s SER 58 N -1.67 4.10 -0.04 6.41 1.04 -1.26 -4.90 113.70 117.38 1upp s SER 58 Ca 0.13 2.43 -0.40 0.00 0.48 0.00 0.00 55.95 58.60 1upp s SER 58 Cb 0.12 -2.60 -0.19 0.00 0.10 0.00 0.00 66.02 63.45 1upp s SER 58 CO 0.01 -2.33 1.23 -2.65 0.98 0.00 0.00 173.24 170.48 1upp n PRO 59 N -2.70 0.38 -0.97 4.02 -0.02 -1.26 -1.72 135.00 132.72 1upp n PRO 59 Ca 0.14 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1upp n PRO 59 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.16 0.87 3.65 -1.23 0.00 -1.26 -5.01 105.19 104.37 1upp n GLY 60 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.55 3.33 0.00 1.61 6.14 -0.70 -5.07 117.35 119.11 1upp s TYR 61 Ca 0.00 0.40 0.03 0.00 0.64 0.00 0.00 57.07 58.14 1upp s TYR 61 Cb 0.00 -2.41 -0.01 0.00 0.42 0.00 0.00 41.96 39.95 1upp s TYR 61 CO 0.00 -0.01 -0.09 0.71 0.64 0.00 0.00 175.55 176.80 1upp s TYR 62 N 1.31 0.81 0.88 4.97 2.02 -1.26 -4.75 117.35 121.33 1upp s TYR 62 Ca 0.13 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 1upp s TYR 62 Cb -0.14 -0.51 0.12 0.00 -0.40 0.00 0.00 41.96 41.02 1upp s TYR 62 CO 0.07 -0.01 1.13 -0.51 -1.57 0.00 0.00 175.55 174.66 1upp s ASP 63 N -0.47 3.81 0.00 2.29 1.01 -0.39 -4.47 116.67 118.45 1upp s ASP 63 Ca 0.02 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1upp s ASP 63 Cb -0.05 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1upp s ASP 63 CO -0.00 -2.37 0.00 0.61 0.21 0.00 0.00 175.17 173.62 1upp n GLY 64 N -2.27 1.01 0.16 0.21 0.00 -1.26 -2.35 105.19 100.69 1upp n GLY 64 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 2.38 -0.28 -6.50 1.61 3.08 -1.91 -3.42 114.38 109.33 1upp h ARG 65 Ca 0.00 0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 1upp h ARG 65 Cb 0.00 0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.14 1upp h ARG 65 CO 0.00 0.11 0.99 0.71 -1.07 0.00 0.00 179.97 180.71 1upp s TYR 66 N -3.95 2.52 0.03 3.04 2.02 -1.26 -5.03 117.35 114.72 1upp s TYR 66 Ca -0.13 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1upp s TYR 66 Cb 0.01 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.58 1upp s TYR 66 CO 0.51 -3.95 0.03 0.91 -1.57 0.00 0.00 175.55 171.48 1upp n TRP 67 N 5.25 -2.32 -4.56 2.71 7.02 -1.26 -5.10 117.44 119.17 1upp n TRP 67 Ca 0.16 -0.11 -0.32 0.00 -1.02 0.00 0.00 57.50 56.20 1upp n TRP 67 Cb 0.40 -0.03 -0.11 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.41 3.48 -0.04 -0.99 -1.32 0.20 -4.92 115.64 112.46 1upp s THR 68 Ca 0.02 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.44 1upp s THR 68 Cb -0.00 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1upp s THR 68 CO 0.02 0.45 1.20 -0.32 -2.21 0.00 0.00 174.62 173.75 1upp s MET 69 N -1.24 4.36 -0.43 7.08 1.75 -1.26 -0.84 119.30 128.73 1upp s MET 69 Ca 0.15 1.68 -0.27 0.00 -1.25 0.00 0.00 55.69 56.00 1upp s MET 69 Cb -0.11 -3.54 0.02 0.00 2.84 0.00 0.00 34.83 34.05 1upp s MET 69 CO 0.05 -0.42 0.99 -0.46 -0.65 0.00 0.00 175.02 174.53 1upp s TRP 70 N 2.09 2.95 0.00 4.11 -0.11 -1.10 -4.94 118.94 121.94 1upp s TRP 70 Ca 0.56 0.62 0.00 0.00 1.22 0.00 0.00 56.10 58.50 1upp s TRP 70 Cb -0.25 -3.98 0.00 0.00 -1.50 0.00 0.00 33.47 27.74 1upp s TRP 70 CO 0.23 -1.05 0.00 1.63 -4.62 0.00 0.00 176.95 173.14 1upp n LYS 71 N 7.21 0.00 -4.40 5.86 5.02 -1.26 -4.59 118.16 126.00 1upp n LYS 71 Ca 0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 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 2.84 0.24 -0.35 1.43 -1.26 -5.08 118.68 116.50 1upp s LEU 72 Ca 0.00 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.91 1upp s LEU 72 Cb 0.00 -1.33 -0.15 0.00 0.03 0.00 0.00 46.19 44.74 1upp s LEU 72 CO 0.00 -0.01 0.85 -2.65 0.23 0.00 0.00 176.35 174.77 1upp n PRO 73 N -0.75 0.83 -2.62 1.29 -0.02 -1.26 -4.86 135.00 127.61 1upp n PRO 73 Ca -0.05 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1upp n PRO 73 Cb 0.60 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.91 3.71 -2.22 -0.52 2.81 0.40 -4.98 117.12 117.24 1upp n MET 74 Ca 0.13 -3.81 -0.37 0.00 -1.81 0.00 0.00 57.70 51.84 1upp n MET 74 Cb 0.28 -2.86 -0.00 0.00 -0.71 0.00 0.00 33.22 29.93 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 0.00 2.79 0.00 2.03 0.08 -1.26 -2.44 117.98 119.18 1upp s PHE 75 Ca 0.38 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.96 1upp s PHE 75 Cb 0.05 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1upp s PHE 75 CO 0.02 -1.62 0.00 0.41 -0.10 0.00 0.00 175.22 173.92 1upp n GLY 76 N 0.42 2.63 3.69 4.36 0.00 -1.26 -4.99 105.19 110.04 1upp n GLY 76 Ca 0.08 -0.01 -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 3.58 0.00 -4.56 0.00 -2.24 -1.26 -4.98 114.28 104.82 1upp n THR 78 Ca 0.16 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1upp n THR 78 Cb 0.31 1.26 -0.16 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.01 3.46 0.25 3.42 2.15 -1.26 -4.99 116.67 119.68 1upp s ASP 79 Ca 0.00 -0.52 0.05 0.00 0.43 0.00 0.00 52.55 52.50 1upp s ASP 79 Cb 0.00 -1.52 0.30 0.00 -0.30 0.00 0.00 42.92 41.40 1upp s ASP 79 CO 0.00 0.08 1.59 1.55 -0.17 0.00 0.00 175.17 178.22 1upp h PRO 80 N 7.34 0.25 -0.47 4.34 0.13 -1.96 -2.91 132.00 138.72 1upp h PRO 80 Ca -0.33 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1upp h PRO 80 Cb 1.19 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1upp h PRO 80 CO 0.57 0.74 0.30 0.00 -0.23 0.00 0.00 178.00 179.38 1upp h ALA 81 N 1.23 1.64 -0.37 -0.56 0.00 -1.98 -0.37 119.26 118.86 1upp h ALA 81 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1upp h ALA 81 Cb 1.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1upp h ALA 81 CO 0.09 0.32 0.19 1.96 0.00 0.00 0.00 179.25 181.82 1upp h GLN 82 N 0.65 0.39 -0.55 0.00 4.20 -1.94 0.43 115.11 118.28 1upp h GLN 82 Ca 0.17 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1upp h GLN 82 Cb -0.06 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1upp h GLN 82 CO -0.04 0.26 0.09 0.28 -0.67 0.00 0.00 178.83 178.75 1upp h VAL 83 N 0.40 1.25 -0.22 -0.54 2.07 -1.29 -1.61 116.25 116.32 1upp h VAL 83 Ca 0.15 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 1upp h VAL 83 Cb 0.05 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1upp h VAL 83 CO -0.10 0.35 -0.43 -0.07 0.02 0.00 0.00 177.57 177.34 1upp h LEU 84 N 0.81 0.57 -0.37 2.57 3.38 -0.86 -0.69 115.31 120.71 1upp h LEU 84 Ca 0.17 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1upp h LEU 84 Cb 0.41 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1upp h LEU 84 CO 0.01 0.92 0.09 0.78 0.09 0.00 0.00 178.44 180.33 1upp h ASN 85 N 0.43 0.05 -0.41 -0.43 2.35 0.04 -1.20 115.58 116.41 1upp h ASN 85 Ca 0.03 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1upp h ASN 85 Cb 0.93 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1upp h ASN 85 CO 0.08 0.06 0.13 -0.33 -1.65 0.00 0.00 177.43 175.72 1upp h GLU 86 N 0.22 0.64 -0.61 0.81 4.39 -0.93 -0.61 114.58 118.49 1upp h GLU 86 Ca 0.17 -0.14 0.13 0.00 0.34 0.00 0.00 59.36 59.86 1upp h GLU 86 Cb 0.19 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.64 1upp h GLU 86 CO -0.21 0.63 -0.06 1.25 -1.16 0.00 0.00 179.01 179.46 1upp h LEU 87 N 0.52 -0.38 -0.69 1.33 5.85 -0.95 0.16 115.31 121.15 1upp h LEU 87 Ca 0.13 0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1upp h LEU 87 Cb 0.26 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1upp h LEU 87 CO -0.00 -0.15 0.40 -0.33 -0.34 0.00 0.00 178.44 178.02 1upp h GLU 88 N 0.07 0.74 -0.05 1.25 4.39 -0.33 -0.41 114.58 120.23 1upp h GLU 88 Ca 0.31 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.98 1upp h GLU 88 Cb 0.49 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1upp h GLU 88 CO -0.56 0.49 -0.05 1.49 -1.16 0.00 0.00 179.01 179.22 1upp h GLU 89 N 0.76 -0.06 -1.00 2.33 4.81 -0.57 -0.72 114.58 120.13 1upp h GLU 89 Ca 0.30 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1upp h GLU 89 Cb 0.14 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 1upp h GLU 89 CO -0.16 -0.04 0.65 0.00 -0.73 0.00 0.00 179.01 178.73 1upp h LYS 91 N 1.26 0.35 -0.43 0.00 1.57 -0.83 0.30 116.57 118.79 1upp h LYS 91 Ca 0.40 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 59.01 1upp h LYS 91 Cb -0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1upp h LYS 91 CO -0.12 0.23 -0.28 1.57 -0.57 0.00 0.00 179.45 180.27 1upp h LYS 92 N 0.36 0.95 -0.17 3.15 5.09 -0.63 -2.34 116.57 122.97 1upp h LYS 92 Ca 0.10 -0.44 -0.16 0.00 0.09 0.00 0.00 60.65 60.24 1upp h LYS 92 Cb -0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.28 1upp h LYS 92 CO -0.03 1.10 -0.57 1.49 -2.09 0.00 0.00 179.45 179.35 1upp h GLU 93 N 0.80 0.54 -2.39 0.07 4.81 -1.06 -3.39 114.58 113.96 1upp h GLU 93 Ca 0.09 -0.35 -0.59 0.00 -0.13 0.00 0.00 59.36 58.38 1upp h GLU 93 Cb 0.86 0.04 -0.40 0.00 0.63 0.00 0.00 28.75 29.89 1upp h GLU 93 CO 0.08 0.96 -0.85 0.66 -0.73 0.00 0.00 179.01 179.13 1upp n TYR 94 N -3.94 1.05 0.52 0.92 4.01 0.10 -4.95 117.16 114.87 1upp n TYR 94 Ca -0.03 -3.76 0.13 0.00 -0.16 0.00 0.00 57.90 54.07 1upp n TYR 94 Cb 0.62 -0.26 0.42 0.00 -0.31 0.00 0.00 39.34 39.80 1upp n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upp h PRO 95 N 4.84 0.00 -0.61 -0.72 0.13 -1.63 -2.86 132.00 131.15 1upp h PRO 95 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1upp h PRO 95 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1upp h PRO 95 CO 0.56 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 1upp n ASN 96 N -2.37 3.31 -4.81 1.44 3.02 -1.26 -4.59 115.26 110.01 1upp n ASN 96 Ca 0.04 -2.04 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 1upp n ASN 96 Cb 0.39 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.25 3.66 0.16 5.41 0.00 -1.08 -4.71 121.76 123.95 1upp s ALA 97 Ca 0.41 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1upp s ALA 97 Cb 0.22 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.61 1upp s ALA 97 CO 0.27 0.69 1.01 -0.06 0.00 0.00 0.00 175.76 177.67 1upp s PHE 98 N -1.20 3.77 -0.10 0.00 0.40 0.11 -3.96 117.98 116.99 1upp s PHE 98 Ca 0.23 1.75 0.03 0.00 -0.60 0.00 0.00 56.93 58.34 1upp s PHE 98 Cb -0.12 -3.12 0.01 0.00 0.51 0.00 0.00 43.02 40.30 1upp s PHE 98 CO 0.14 -0.03 -0.19 0.42 0.70 0.00 0.00 175.22 176.26 1upp s ILE 99 N -0.31 1.70 0.20 0.64 1.01 0.34 -1.35 121.20 123.43 1upp s ILE 99 Ca 0.47 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 60.43 1upp s ILE 99 Cb -0.26 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1upp s ILE 99 CO 0.32 0.48 -0.21 0.00 0.00 0.00 0.00 174.94 175.53 1upp s ARG 100 N 0.65 1.46 -0.19 2.79 1.70 -0.58 0.28 118.95 125.07 1upp s ARG 100 Ca -0.13 -1.54 -0.04 0.00 -0.47 0.00 0.00 55.73 53.55 1upp s ARG 100 Cb -0.16 -1.61 -0.02 0.00 -0.57 0.00 0.00 34.95 32.59 1upp s ARG 100 CO 0.03 0.33 -0.04 0.42 -1.08 0.00 0.00 175.30 174.96 1upp s ILE 101 N -2.05 3.54 0.49 4.99 1.01 -0.75 -1.55 121.20 126.88 1upp s ILE 101 Ca 0.21 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1upp s ILE 101 Cb -0.06 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1upp s ILE 101 CO 0.10 0.45 0.20 0.27 0.00 0.00 0.00 174.94 175.96 1upp s ILE 102 N 1.02 1.72 -0.04 2.92 -4.36 0.13 -1.87 121.20 120.73 1upp s ILE 102 Ca 0.01 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 58.65 1upp s ILE 102 Cb -0.15 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.15 1upp s ILE 102 CO 0.00 0.00 0.06 -0.83 0.24 0.00 0.00 174.94 174.41 1upp s GLY 103 N -4.02 0.20 -0.13 6.27 0.00 -0.69 -2.09 107.32 106.85 1upp s GLY 103 Ca 0.28 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.99 1upp s GLY 103 CO 0.16 1.30 0.61 -1.36 0.00 0.00 0.00 173.10 173.81 1upp s PHE 104 N 2.03 3.48 -0.36 1.90 0.08 0.43 -1.06 117.98 124.47 1upp s PHE 104 Ca 0.03 1.03 -0.18 0.00 0.12 0.00 0.00 56.93 57.93 1upp s PHE 104 Cb -0.12 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1upp s PHE 104 CO -0.03 0.01 0.52 0.34 -0.10 0.00 0.00 175.22 175.96 1upp s ASP 105 N 0.89 6.31 0.00 1.36 -1.08 -0.35 -1.52 116.67 122.28 1upp s ASP 105 Ca 0.31 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.51 1upp s ASP 105 Cb -0.16 -2.27 1.14 0.00 -1.46 0.00 0.00 42.92 40.16 1upp s ASP 105 CO 0.13 -0.52 1.86 -1.54 0.52 0.00 0.00 175.17 175.62 1upp n SER 106 N 5.78 0.07 0.09 -0.34 3.41 -1.26 -0.71 113.62 120.66 1upp n SER 106 Ca -0.05 0.40 -0.22 0.00 -0.26 0.00 0.00 58.87 58.74 1upp n SER 106 Cb 0.49 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.87 0.04 4.04 2.35 -1.96 -3.29 115.58 117.63 1upp h ASN 107 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 1upp h ASN 107 Cb 0.50 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1upp h ASN 107 CO 0.00 1.60 -0.86 0.54 -1.65 0.00 0.00 177.43 177.05 1upp n ARG 108 N -3.79 0.20 -4.03 0.81 1.74 -1.21 -4.98 116.66 105.41 1upp n ARG 108 Ca -0.13 -0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 56.48 1upp n ARG 108 Cb 0.98 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 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 -1.25 -2.04 -4.45 5.56 2.13 0.11 -5.00 120.64 115.69 1upp n GLU 109 Ca 0.05 0.29 -0.22 0.00 0.66 0.00 0.00 57.16 57.94 1upp n GLU 109 Cb 0.35 -3.99 -0.14 0.00 0.27 0.00 0.00 31.44 27.94 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 -3.96 1.24 0.02 6.31 1.01 -0.83 -4.99 120.40 119.20 1upp s VAL 110 Ca 0.12 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1upp s VAL 110 Cb -0.05 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 1upp s VAL 110 CO 0.92 0.08 1.61 -1.10 0.00 0.00 0.00 175.10 176.62 1upp s GLN 111 N -1.07 4.21 -0.01 2.72 -0.21 -1.26 -1.21 119.66 122.83 1upp s GLN 111 Ca 0.03 2.22 0.13 0.00 0.02 0.00 0.00 55.36 57.76 1upp s GLN 111 Cb -0.08 -3.72 -0.18 0.00 1.00 0.00 0.00 33.01 30.04 1upp s GLN 111 CO 0.01 -0.74 0.39 0.00 -2.12 0.00 0.00 175.29 172.84 1upp s ILE 113 N -2.64 1.86 -0.30 0.00 -1.09 -1.19 -4.95 121.20 112.89 1upp s ILE 113 Ca -0.01 -1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 56.83 1upp s ILE 113 Cb 0.09 -1.64 0.17 0.00 -1.58 0.00 0.00 42.46 39.49 1upp s ILE 113 CO 0.54 0.10 0.89 -0.55 -1.23 0.00 0.00 174.94 174.69 1upp s SER 114 N -1.64 -0.76 0.06 3.58 0.15 -1.26 -1.71 113.70 112.12 1upp s SER 114 Ca 0.09 0.79 -0.03 0.00 0.70 0.00 0.00 55.95 57.50 1upp s SER 114 Cb -0.10 1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 65.95 1upp s SER 114 CO 0.04 -0.14 0.04 0.72 1.20 0.00 0.00 173.24 175.09 1upp s PHE 115 N 2.70 0.41 0.14 3.44 -0.71 -0.78 -4.42 117.98 118.75 1upp s PHE 115 Ca 0.01 -0.92 -0.30 0.00 -1.04 0.00 0.00 56.93 54.68 1upp s PHE 115 Cb -0.09 -0.29 -0.07 0.00 -1.21 0.00 0.00 43.02 41.36 1upp s PHE 115 CO -0.17 -0.43 1.14 -1.50 -1.34 0.00 0.00 175.22 172.92 1upp s ILE 116 N -3.90 3.91 -0.25 -4.49 1.10 -1.26 -1.82 121.20 114.49 1upp s ILE 116 Ca 0.07 1.54 0.03 0.00 -0.51 0.00 0.00 60.65 61.77 1upp s ILE 116 Cb 0.07 -3.98 0.00 0.00 0.15 0.00 0.00 42.46 38.70 1upp s ILE 116 CO -0.10 0.21 0.39 0.00 -2.11 0.00 0.00 174.94 173.33 1upp n ALA 117 N 2.90 2.42 -3.59 1.50 0.00 0.14 -4.86 120.51 119.03 1upp n ALA 117 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 53.44 53.15 1upp n ALA 117 Cb 0.46 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.64 -0.43 0.14 0.00 5.04 -0.62 -4.95 117.35 115.89 1upp s TYR 118 Ca 0.02 0.83 0.09 0.00 -2.44 0.00 0.00 57.07 55.57 1upp s TYR 118 Cb 0.02 0.26 -0.04 0.00 0.35 0.00 0.00 41.96 42.55 1upp s TYR 118 CO 0.06 -0.21 -0.15 0.15 -1.34 0.00 0.00 175.55 174.06 1upp s LYS 119 N 1.45 1.88 0.73 4.97 1.02 -1.26 -0.50 119.74 128.02 1upp s LYS 119 Ca -0.07 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 54.58 1upp s LYS 119 Cb -0.03 -2.13 0.18 0.00 -0.52 0.00 0.00 37.83 35.33 1upp s LYS 119 CO -0.14 0.46 0.74 -0.35 -0.92 0.00 0.00 175.35 175.15 1upp n PRO 120 N 0.53 -1.90 -2.52 -1.68 -0.04 -1.25 -4.91 135.00 123.23 1upp n PRO 120 Ca -0.14 -1.17 -0.42 0.00 -0.04 0.00 0.00 63.50 61.73 1upp n PRO 120 Cb 0.54 -0.99 -0.03 0.00 -0.04 0.00 0.00 33.50 32.98 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 -3.31 3.34 0.00 0.55 0.00 -1.26 -2.47 121.76 118.61 1upp s ALA 121 Ca 0.46 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1upp s ALA 121 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1upp s ALA 121 CO 0.34 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1upp n GLY 122 N 3.14 0.75 0.00 0.00 0.00 -1.26 -5.17 105.19 102.65 1upp n GLY 122 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1upp n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60