#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 3.26 -0.21 3.17 -0.21 -1.26 -5.10 119.66 119.32 1upp s GLN 2 Ca 0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 55.36 54.84 1upp s GLN 2 Cb 0.00 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1upp s GLN 2 CO 0.00 0.67 0.40 0.08 -2.12 0.00 0.00 175.29 174.32 1upp s VAL 3 N -1.23 5.20 0.11 1.09 1.01 -1.26 -5.05 120.40 120.26 1upp s VAL 3 Ca 0.24 0.70 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 1upp s VAL 3 Cb -0.12 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1upp s VAL 3 CO 0.15 0.24 1.42 0.86 0.00 0.00 0.00 175.10 177.77 1upp s TRP 4 N 1.37 3.17 1.02 5.22 -0.11 -1.26 -4.95 118.94 123.40 1upp s TRP 4 Ca 0.19 0.88 -0.12 0.00 1.22 0.00 0.00 56.10 58.27 1upp s TRP 4 Cb -0.15 -3.72 0.17 0.00 -1.50 0.00 0.00 33.47 28.28 1upp s TRP 4 CO 0.08 -2.57 0.92 -2.30 -4.62 0.00 0.00 176.95 168.46 1upp n PRO 5 N 4.10 -1.15 -0.04 5.86 -0.02 -1.26 -5.02 135.00 137.47 1upp n PRO 5 Ca 0.12 -0.29 -0.07 0.00 -2.02 0.00 0.00 63.50 61.24 1upp n PRO 5 Cb 0.42 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 -4.41 0.43 -3.43 4.25 0.13 -1.26 -4.94 119.36 110.13 1upp n ILE 6 Ca 0.08 -0.13 -0.38 0.00 -1.10 0.00 0.00 62.75 61.21 1upp n ILE 6 Cb 0.54 -1.24 -0.06 0.00 -0.84 0.00 0.00 39.64 38.03 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 -6.00 4.39 -1.34 9.51 1.43 -1.26 -4.42 118.68 121.00 1upp s LEU 7 Ca -0.11 0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1upp s LEU 7 Cb 0.04 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1upp s LEU 7 CO 0.15 0.19 0.97 0.59 0.23 0.00 0.00 176.35 178.48 1upp n ASN 8 N 2.61 -6.09 -1.47 2.29 3.02 -1.26 -4.93 115.26 109.43 1upp n ASN 8 Ca -0.11 -0.44 -0.12 0.00 -0.03 0.00 0.00 54.58 53.87 1upp n ASN 8 Cb 0.52 -4.77 0.12 0.00 -0.61 0.00 0.00 39.78 35.04 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 -4.50 4.44 -4.65 3.41 4.77 -1.26 -5.03 117.00 114.18 1upp n LEU 9 Ca -0.02 -4.24 -0.44 0.00 -0.03 0.00 0.00 56.01 51.28 1upp n LEU 9 Cb 0.57 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1upp n LEU 9 CO 0.57 1.65 0.80 0.29 -1.33 0.00 0.00 177.39 179.36 1upp n LYS 10 N -0.95 1.80 -4.38 3.23 4.76 -1.26 -5.00 118.16 116.36 1upp n LYS 10 Ca 0.37 0.63 -0.20 0.00 -2.87 0.00 0.00 58.31 56.24 1upp n LYS 10 Cb 0.90 -2.15 -0.10 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.45 1.42 -0.23 1.97 -0.14 -1.26 -5.09 119.74 114.96 1upp s LYS 11 Ca 0.59 -1.67 0.18 0.00 -1.36 0.00 0.00 55.97 53.72 1upp s LYS 11 Cb -0.64 -1.14 0.48 0.00 -1.68 0.00 0.00 37.83 34.85 1upp s LYS 11 CO 0.59 0.13 1.15 0.66 -0.76 0.00 0.00 175.35 177.12 1upp n TYR 12 N -0.46 1.45 -4.80 3.18 4.02 -1.26 -5.10 117.16 114.19 1upp n TYR 12 Ca -0.07 -1.92 0.00 0.00 -0.01 0.00 0.00 57.90 55.90 1upp n TYR 12 Cb 0.61 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.53 0.00 -1.68 -0.72 -0.58 -1.26 -4.50 120.64 111.37 1upp n GLU 13 Ca 0.18 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.46 1upp n GLU 13 Cb 0.88 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.71 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 0.47 0.00 2.62 -1.04 -1.26 -2.10 114.28 112.97 1upp n THR 14 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1upp n THR 14 Cb 0.00 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 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 6.04 0.00 0.04 -4.42 4.77 -1.26 -4.65 117.00 117.52 1upp n LEU 15 Ca 0.21 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1upp n LEU 15 Cb 0.32 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.83 1upp n LEU 15 CO 0.70 0.00 0.82 -1.54 -1.33 0.00 0.00 177.39 176.04 1upp n SER 16 N 0.00 0.21 -0.86 -1.43 3.41 -0.89 -1.55 113.62 112.50 1upp n SER 16 Ca 0.00 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1upp n SER 16 Cb 0.00 -0.59 0.28 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.72 0.30 -3.20 7.33 4.02 -1.26 -4.80 117.16 117.84 1upp n TYR 17 Ca 0.04 -0.15 -0.19 0.00 -0.01 0.00 0.00 57.90 57.59 1upp n TYR 17 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.60 3.46 0.43 7.72 1.43 -0.60 -5.07 118.68 124.45 1upp s LEU 18 Ca 0.35 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1upp s LEU 18 Cb 0.20 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 1upp s LEU 18 CO 0.29 -0.83 1.29 -2.84 0.23 0.00 0.00 176.35 174.49 1upp s PRO 19 N -4.34 3.86 0.18 1.29 0.02 -1.26 -4.89 135.00 129.86 1upp s PRO 19 Ca 0.53 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 1upp s PRO 19 Cb -0.07 -2.66 -0.17 0.00 0.02 0.00 0.00 34.50 31.62 1upp s PRO 19 CO 0.32 -0.57 0.71 -2.30 -0.33 0.00 0.00 177.00 174.84 1upp n PRO 20 N -0.07 0.28 -2.16 5.54 -0.02 -1.26 -4.84 135.00 132.46 1upp n PRO 20 Ca 0.05 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1upp n PRO 20 Cb 0.44 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 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 2.05 4.42 0.78 2.45 1.43 -1.26 -5.02 118.68 123.53 1upp s LEU 21 Ca 0.68 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 56.18 1upp s LEU 21 Cb -0.94 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 41.72 1upp s LEU 21 CO 0.56 -0.55 1.09 0.42 0.23 0.00 0.00 176.35 178.10 1upp s THR 22 N -0.21 3.29 0.28 5.49 -4.23 -1.26 -4.72 115.64 114.28 1upp s THR 22 Ca 0.55 0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 61.43 1upp s THR 22 Cb -0.38 -3.10 0.40 0.00 1.34 0.00 0.00 72.50 70.76 1upp s THR 22 CO 0.42 -0.55 1.58 0.74 -0.54 0.00 0.00 174.62 176.27 1upp h THR 23 N -1.06 0.08 -0.16 3.99 2.02 -1.99 0.15 112.91 115.94 1upp h THR 23 Ca -0.46 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 1upp h THR 23 Cb 1.25 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1upp h THR 23 CO 0.57 0.00 -0.47 0.44 0.37 0.00 0.00 175.52 176.43 1upp h ASP 24 N 0.02 0.45 -0.21 4.18 3.32 -1.99 -1.26 116.42 120.92 1upp h ASP 24 Ca 0.50 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1upp h ASP 24 Cb 0.89 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1upp h ASP 24 CO -0.91 0.86 0.12 1.56 -1.72 0.00 0.00 179.24 179.15 1upp h GLN 25 N 0.33 0.30 0.20 3.56 4.20 -1.29 -0.07 115.11 122.34 1upp h GLN 25 Ca 0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1upp h GLN 25 Cb 0.96 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1upp h GLN 25 CO 0.08 0.27 -0.33 1.25 -0.67 0.00 0.00 178.83 179.43 1upp h LEU 26 N 0.24 -0.94 -0.82 1.46 5.85 -0.77 -2.29 115.31 118.04 1upp h LEU 26 Ca 0.08 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.02 1upp h LEU 26 Cb 0.05 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 41.27 1upp h LEU 26 CO -0.01 -0.39 -0.30 0.00 -0.34 0.00 0.00 178.44 177.40 1upp n ALA 27 N -2.67 -0.04 -0.06 1.25 0.00 -0.48 -2.20 120.51 116.31 1upp n ALA 27 Ca -0.07 0.84 0.02 0.00 0.00 0.00 0.00 53.44 54.23 1upp n ALA 27 Cb 0.28 -0.40 0.34 0.00 0.00 0.00 0.00 19.45 19.66 1upp n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upp h ARG 28 N 0.00 0.65 -0.42 0.00 2.47 -0.45 0.45 114.38 117.09 1upp h ARG 28 Ca 0.31 -0.07 -0.15 0.00 -1.26 0.00 0.00 59.98 58.81 1upp h ARG 28 Cb 0.51 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1upp h ARG 28 CO -0.82 0.50 -0.34 1.96 0.56 0.00 0.00 179.97 181.82 1upp h GLN 29 N 0.66 0.96 -0.60 0.04 1.08 -1.09 -1.67 115.11 114.49 1upp h GLN 29 Ca 0.17 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 1upp h GLN 29 Cb 0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1upp h GLN 29 CO -0.03 1.15 0.29 0.28 -0.95 0.00 0.00 178.83 179.57 1upp h VAL 30 N 0.80 1.20 -0.32 -0.54 2.07 -0.80 0.15 116.25 118.81 1upp h VAL 30 Ca 0.08 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 1upp h VAL 30 Cb 0.94 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1upp h VAL 30 CO 0.09 0.23 -0.25 0.44 0.02 0.00 0.00 177.57 178.11 1upp h ASP 31 N 0.85 0.76 -0.92 0.57 3.32 -0.79 -1.15 116.42 119.06 1upp h ASP 31 Ca 0.21 -0.45 0.08 0.00 0.02 0.00 0.00 57.03 56.89 1upp h ASP 31 Cb 0.09 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 1upp h ASP 31 CO -0.03 1.05 0.57 0.22 -1.72 0.00 0.00 179.24 179.33 1upp h TYR 32 N 0.49 1.04 0.06 4.55 3.20 -1.04 0.84 116.97 126.11 1upp h TYR 32 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1upp h TYR 32 Cb 0.81 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1upp h TYR 32 CO 0.07 0.49 -0.03 1.25 -1.64 0.00 0.00 178.16 178.29 1upp h LEU 33 N 0.99 -0.07 -0.61 2.82 5.85 -0.27 -3.07 115.31 120.95 1upp h LEU 33 Ca 0.42 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1upp h LEU 33 Cb 0.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1upp h LEU 33 CO -0.21 0.06 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.37 1upp h LEU 34 N -0.20 0.00 -1.51 2.25 3.38 0.13 -2.79 115.31 116.56 1upp h LEU 34 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1upp h LEU 34 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1upp h LEU 34 CO 0.01 0.51 -0.23 0.78 0.09 0.00 0.00 178.44 179.60 1upp h ASN 35 N 0.00 0.00 -0.35 -0.43 2.35 0.63 -1.18 115.58 116.59 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 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1upp h ASN 35 CO 0.07 0.23 0.00 0.59 -1.65 0.00 0.00 177.43 176.67 1upp n ASN 36 N -3.76 2.39 -3.86 5.81 3.02 -1.06 -4.93 115.26 112.87 1upp n ASN 36 Ca -0.01 -2.13 -0.29 0.00 -0.03 0.00 0.00 54.58 52.11 1upp n ASN 36 Cb 0.34 -0.35 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.52 -5.85 -3.71 3.52 4.76 -0.45 -4.97 118.16 111.97 1upp n LYS 37 Ca 0.13 0.63 -0.25 0.00 -2.87 0.00 0.00 58.31 55.95 1upp n LYS 37 Cb 0.43 -5.53 -0.03 0.00 -1.84 0.00 0.00 35.03 28.06 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 3.48 -0.24 2.13 0.51 -1.22 -4.95 118.94 115.32 1upp s TRP 38 Ca 0.62 0.25 -0.14 0.00 -2.12 0.00 0.00 56.10 54.71 1upp s TRP 38 Cb -0.31 -1.78 -0.04 0.00 -0.81 0.00 0.00 33.47 30.53 1upp s TRP 38 CO 0.82 0.35 0.32 0.08 -0.51 0.00 0.00 176.95 178.01 1upp s VAL 39 N -1.97 5.23 0.52 4.03 1.01 -0.23 -4.67 120.40 124.31 1upp s VAL 39 Ca 0.37 0.50 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 1upp s VAL 39 Cb -0.10 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1upp s VAL 39 CO 0.30 0.23 1.19 -2.16 0.00 0.00 0.00 175.10 174.67 1upp s PRO 40 N 1.61 3.41 -0.13 2.72 0.04 -1.26 -0.47 135.00 140.92 1upp s PRO 40 Ca 0.14 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 1upp s PRO 40 Cb -0.15 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.24 1upp s PRO 40 CO 0.08 -0.85 0.37 0.00 0.04 0.00 0.00 177.00 176.65 1upp s LEU 42 N 0.05 3.92 -0.01 0.00 1.02 -1.26 -0.23 118.68 122.17 1upp s LEU 42 Ca -0.01 -0.01 -0.07 0.00 0.02 0.00 0.00 54.13 54.06 1upp s LEU 42 Cb -0.03 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.63 1upp s LEU 42 CO 0.01 0.12 0.14 -1.61 0.02 0.00 0.00 176.35 175.03 1upp s GLU 43 N -2.78 0.45 0.06 1.70 2.02 -0.50 -1.86 118.70 117.79 1upp s GLU 43 Ca 0.31 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.97 1upp s GLU 43 Cb -0.11 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.27 1upp s GLU 43 CO 0.24 -0.10 -0.03 -0.59 0.02 0.00 0.00 175.26 174.79 1upp s PHE 44 N -1.21 0.58 -0.19 1.61 -0.71 0.23 -1.42 117.98 116.87 1upp s PHE 44 Ca -0.13 -1.06 -0.07 0.00 -1.04 0.00 0.00 56.93 54.63 1upp s PHE 44 Cb -0.07 -0.41 0.08 0.00 -1.21 0.00 0.00 43.02 41.42 1upp s PHE 44 CO 0.01 -0.36 0.41 -2.00 -1.34 0.00 0.00 175.22 171.94 1upp s GLU 45 N -3.91 0.32 -0.17 1.99 2.56 -0.09 -0.86 118.70 118.53 1upp s GLU 45 Ca 0.08 0.97 -0.15 0.00 0.00 0.00 0.00 54.97 55.87 1upp s GLU 45 Cb 0.08 0.24 -0.22 0.00 2.00 0.00 0.00 34.13 36.23 1upp s GLU 45 CO -0.09 -0.24 0.26 0.25 -0.56 0.00 0.00 175.26 174.89 1upp n THR 46 N 5.18 1.64 -0.01 -1.70 -2.24 -1.26 -0.67 114.28 115.22 1upp n THR 46 Ca -0.11 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 1upp n THR 46 Cb 0.50 -1.91 -0.00 0.00 -2.10 0.00 0.00 70.33 66.82 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 -4.03 0.31 -4.38 3.42 8.00 -1.26 -4.81 116.55 113.80 1upp n ASP 47 Ca -0.33 0.28 -0.45 0.00 0.71 0.00 0.00 54.79 55.00 1upp n ASP 47 Cb 0.84 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.22 3.18 -0.09 1.24 3.76 -1.26 -4.87 115.29 116.02 1upp s HIS 48 Ca -0.03 -1.27 0.14 0.00 -0.15 0.00 0.00 55.06 53.75 1upp s HIS 48 Cb 0.00 -4.05 -0.08 0.00 1.11 0.00 0.00 32.58 29.56 1upp s HIS 48 CO 0.04 -1.29 1.11 0.78 -0.85 0.00 0.00 174.74 174.54 1upp h GLY 49 N 9.66 0.00 -3.35 -2.22 0.00 -1.90 -3.46 103.07 101.79 1upp h GLY 49 Ca -0.10 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.74 1upp h GLY 49 CO 1.03 0.00 -0.77 -1.36 0.00 0.00 0.00 176.54 175.44 1upp s PHE 50 N -2.87 1.71 0.71 5.60 0.08 -1.26 -5.10 117.98 116.85 1upp s PHE 50 Ca 0.00 -0.50 -0.16 0.00 0.12 0.00 0.00 56.93 56.40 1upp s PHE 50 Cb 0.08 -0.86 0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1upp s PHE 50 CO 0.79 0.28 1.26 0.08 -0.10 0.00 0.00 175.22 177.53 1upp s VAL 51 N -2.10 2.03 0.34 -0.44 1.01 -1.26 -4.76 120.40 115.22 1upp s VAL 51 Ca 0.14 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1upp s VAL 51 Cb -0.05 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1upp s VAL 51 CO 0.06 -0.01 0.68 -0.72 0.00 0.00 0.00 175.10 175.11 1upp s TYR 52 N -1.70 0.24 -0.34 5.22 1.13 -0.89 -4.97 117.35 116.04 1upp s TYR 52 Ca 0.79 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 55.70 1upp s TYR 52 Cb -0.34 0.57 0.11 0.00 -1.10 0.00 0.00 41.96 41.20 1upp s TYR 52 CO 0.44 -1.35 0.10 1.03 -2.51 0.00 0.00 175.55 173.26 1upp s ARG 53 N -3.01 1.09 -0.26 -3.49 0.52 -1.26 -0.61 118.95 111.92 1upp s ARG 53 Ca 0.18 -1.51 -0.09 0.00 -0.52 0.00 0.00 55.73 53.78 1upp s ARG 53 Cb -0.04 -2.49 -0.15 0.00 0.52 0.00 0.00 34.95 32.79 1upp s ARG 53 CO 0.12 -1.00 -0.26 -1.91 0.02 0.00 0.00 175.30 172.27 1upp n GLU 54 N 4.43 0.61 -0.01 3.54 2.13 -1.26 -4.77 120.64 125.32 1upp n GLU 54 Ca 0.02 0.25 0.11 0.00 0.66 0.00 0.00 57.16 58.19 1upp n GLU 54 Cb 0.41 -1.52 -0.16 0.00 0.27 0.00 0.00 31.44 30.44 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 -3.92 0.00 -3.43 4.31 8.25 -1.26 -5.00 115.22 114.17 1upp n HIS 55 Ca -0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 56.84 1upp n HIS 55 Cb 0.91 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 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 -3.38 -0.54 -0.03 4.41 2.46 -1.26 -5.05 115.29 111.89 1upp s HIS 56 Ca -0.04 0.38 0.05 0.00 0.47 0.00 0.00 55.06 55.93 1upp s HIS 56 Cb 0.15 0.55 0.08 0.00 -0.13 0.00 0.00 32.58 33.22 1upp s HIS 56 CO 0.90 -0.83 0.94 0.09 -2.47 0.00 0.00 174.74 173.36 1upp n ASN 57 N -0.28 0.93 -4.73 9.88 3.02 -1.26 -4.80 115.26 118.02 1upp n ASN 57 Ca -0.17 -2.08 -0.33 0.00 -0.03 0.00 0.00 54.58 51.97 1upp n ASN 57 Cb 0.64 -0.19 0.10 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.30 4.14 0.10 6.41 1.04 -1.26 -4.89 113.70 117.94 1upp s SER 58 Ca 0.09 2.16 -0.35 0.00 0.48 0.00 0.00 55.95 58.33 1upp s SER 58 Cb 0.08 -2.57 -0.18 0.00 0.10 0.00 0.00 66.02 63.45 1upp s SER 58 CO 0.01 -2.29 1.02 -2.65 0.98 0.00 0.00 173.24 170.30 1upp n PRO 59 N -3.13 0.50 -0.95 4.02 -0.02 -1.26 -1.44 135.00 132.71 1upp n PRO 59 Ca 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1upp n PRO 59 Cb 0.51 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.87 0.54 3.34 -1.23 0.00 -1.26 -4.98 105.19 103.47 1upp n GLY 60 Ca 0.18 0.00 -0.35 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 -2.40 2.98 0.03 1.61 6.14 -0.52 -5.08 117.35 120.11 1upp s TYR 61 Ca 0.00 -0.81 0.04 0.00 0.64 0.00 0.00 57.07 56.94 1upp s TYR 61 Cb 0.00 -2.12 -0.02 0.00 0.42 0.00 0.00 41.96 40.24 1upp s TYR 61 CO 0.00 -0.49 -0.12 0.71 0.64 0.00 0.00 175.55 176.29 1upp s TYR 62 N 1.45 1.06 0.64 4.97 2.02 -1.26 -4.71 117.35 121.52 1upp s TYR 62 Ca 0.05 -0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 56.36 1upp s TYR 62 Cb -0.14 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1upp s TYR 62 CO -0.02 0.01 0.96 -0.51 -1.57 0.00 0.00 175.55 174.42 1upp s ASP 63 N -0.99 5.35 0.00 2.29 1.01 0.21 -4.57 116.67 119.98 1upp s ASP 63 Ca 0.00 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.97 1upp s ASP 63 Cb -0.07 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.28 1upp s ASP 63 CO 0.01 -1.25 0.00 0.61 0.21 0.00 0.00 175.17 174.74 1upp n GLY 64 N -2.74 0.74 0.11 0.21 0.00 -1.26 -2.10 105.19 100.15 1upp n GLY 64 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 2.00 0.23 -6.58 1.61 3.08 -1.92 -3.42 114.38 109.38 1upp h ARG 65 Ca 0.00 -0.24 -0.53 0.00 0.07 0.00 0.00 59.98 59.28 1upp h ARG 65 Cb 0.02 0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.15 1upp h ARG 65 CO 0.00 0.95 0.62 0.71 -1.07 0.00 0.00 179.97 181.18 1upp s TYR 66 N -3.18 3.36 0.00 3.04 2.02 -1.26 -5.05 117.35 116.28 1upp s TYR 66 Ca -0.15 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 1upp s TYR 66 Cb 0.02 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 1upp s TYR 66 CO 0.76 -1.64 0.00 0.91 -1.57 0.00 0.00 175.55 174.01 1upp n TRP 67 N 3.37 -1.68 -4.37 2.71 7.02 -1.26 -5.08 117.44 118.14 1upp n TRP 67 Ca 0.08 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.25 1upp n TRP 67 Cb 0.44 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.79 3.63 -0.17 -0.99 -1.32 -0.04 -4.89 115.64 112.65 1upp s THR 68 Ca 0.00 -0.91 -0.29 0.00 -1.21 0.00 0.00 61.69 59.27 1upp s THR 68 Cb 0.00 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1upp s THR 68 CO 0.00 0.30 1.29 -0.32 -2.21 0.00 0.00 174.62 173.68 1upp s MET 69 N -1.71 4.21 -0.36 7.08 1.75 -1.26 -0.60 119.30 128.41 1upp s MET 69 Ca 0.19 1.68 -0.29 0.00 -1.25 0.00 0.00 55.69 56.02 1upp s MET 69 Cb -0.11 -3.79 0.01 0.00 2.84 0.00 0.00 34.83 33.78 1upp s MET 69 CO 0.10 -0.74 1.32 -0.46 -0.65 0.00 0.00 175.02 174.60 1upp s TRP 70 N 3.59 2.59 0.00 4.11 -0.11 -0.78 -4.89 118.94 123.46 1upp s TRP 70 Ca 0.56 0.78 0.00 0.00 1.22 0.00 0.00 56.10 58.66 1upp s TRP 70 Cb -0.22 -4.12 0.00 0.00 -1.50 0.00 0.00 33.47 27.63 1upp s TRP 70 CO 0.16 -1.76 0.00 1.63 -4.62 0.00 0.00 176.95 172.36 1upp n LYS 71 N 7.66 0.00 -4.35 5.86 5.02 -1.26 -4.47 118.16 126.62 1upp n LYS 71 Ca 0.15 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 1upp n LYS 71 Cb 0.47 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 2.96 0.33 -0.35 1.43 -1.26 -5.05 118.68 116.74 1upp s LEU 72 Ca 0.00 -1.24 -0.28 0.00 -1.03 0.00 0.00 54.13 51.59 1upp s LEU 72 Cb 0.00 -1.18 -0.13 0.00 0.03 0.00 0.00 46.19 44.92 1upp s LEU 72 CO 0.00 -0.55 1.17 -2.65 0.23 0.00 0.00 176.35 174.55 1upp n PRO 73 N -1.16 1.80 -2.09 1.29 -0.02 -1.26 -4.78 135.00 128.78 1upp n PRO 73 Ca -0.04 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1upp n PRO 73 Cb 0.66 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.56 3.22 -2.10 -0.52 2.81 -0.15 -4.98 117.12 115.95 1upp n MET 74 Ca 0.07 -3.08 -0.34 0.00 -1.81 0.00 0.00 57.70 52.53 1upp n MET 74 Cb 0.35 -3.14 0.01 0.00 -0.71 0.00 0.00 33.22 29.74 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 2.00 2.68 0.00 2.03 0.08 -1.26 -2.70 117.98 120.81 1upp s PHE 75 Ca 0.44 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.04 1upp s PHE 75 Cb 0.11 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 1upp s PHE 75 CO -0.04 -1.56 0.00 0.41 -0.10 0.00 0.00 175.22 173.93 1upp n GLY 76 N -0.12 1.66 3.55 4.36 0.00 -1.26 -4.98 105.19 108.40 1upp n GLY 76 Ca 0.11 -0.25 -0.57 0.00 0.00 0.00 0.00 46.02 45.31 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 2.07 0.00 -4.14 0.00 -2.24 -1.26 -4.99 114.28 103.72 1upp n THR 78 Ca 0.20 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1upp n THR 78 Cb 0.11 1.44 -0.15 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.07 3.45 0.33 3.42 2.15 -1.26 -5.00 116.67 119.69 1upp s ASP 79 Ca 0.00 -0.57 0.11 0.00 0.43 0.00 0.00 52.55 52.52 1upp s ASP 79 Cb 0.00 -1.55 0.55 0.00 -0.30 0.00 0.00 42.92 41.63 1upp s ASP 79 CO 0.00 0.01 1.73 1.55 -0.17 0.00 0.00 175.17 178.29 1upp h PRO 80 N 7.89 0.03 -0.61 4.34 0.13 -1.96 -2.49 132.00 139.34 1upp h PRO 80 Ca -0.43 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1upp h PRO 80 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1upp h PRO 80 CO 0.62 0.49 0.33 0.00 -0.23 0.00 0.00 178.00 179.22 1upp h ALA 81 N 1.51 1.45 -0.34 -0.56 0.00 -1.98 -0.37 119.26 118.96 1upp h ALA 81 Ca -0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1upp h ALA 81 Cb 0.84 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1upp h ALA 81 CO 0.06 0.46 -0.02 1.96 0.00 0.00 0.00 179.25 181.71 1upp h GLN 82 N 0.84 0.07 -0.40 0.00 4.20 -1.88 0.45 115.11 118.39 1upp h GLN 82 Ca 0.22 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1upp h GLN 82 Cb 0.01 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1upp h GLN 82 CO -0.04 0.05 0.02 0.28 -0.67 0.00 0.00 178.83 178.47 1upp h VAL 83 N 0.08 1.25 -0.14 -0.54 2.07 -1.44 -1.26 116.25 116.28 1upp h VAL 83 Ca 0.17 -0.97 -0.15 0.00 0.82 0.00 0.00 66.70 66.56 1upp h VAL 83 Cb 0.23 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1upp h VAL 83 CO -0.29 0.33 -0.56 -0.07 0.02 0.00 0.00 177.57 177.00 1upp h LEU 84 N 0.54 0.48 -0.19 2.57 3.38 -0.72 -0.21 115.31 121.15 1upp h LEU 84 Ca 0.12 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1upp h LEU 84 Cb 0.44 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1upp h LEU 84 CO 0.02 0.94 -0.12 0.78 0.09 0.00 0.00 178.44 180.15 1upp h ASN 85 N 0.33 -0.39 -0.75 -0.43 2.35 0.07 -1.23 115.58 115.53 1upp h ASN 85 Ca 0.00 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1upp h ASN 85 Cb 1.08 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 1upp h ASN 85 CO 0.10 -0.16 0.29 -0.33 -1.65 0.00 0.00 177.43 175.68 1upp h GLU 86 N -0.11 1.13 -0.73 0.81 4.39 -0.87 0.68 114.58 119.88 1upp h GLU 86 Ca 0.11 -0.21 0.15 0.00 0.34 0.00 0.00 59.36 59.75 1upp h GLU 86 Cb 0.28 -0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 28.65 1upp h GLU 86 CO -0.26 0.93 0.23 1.25 -1.16 0.00 0.00 179.01 180.00 1upp h LEU 87 N 1.08 0.13 -1.13 1.33 5.85 -0.90 0.20 115.31 121.87 1upp h LEU 87 Ca 0.25 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 1upp h LEU 87 Cb 0.23 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1upp h LEU 87 CO -0.02 0.03 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.75 1upp h GLU 88 N 0.34 0.58 0.10 1.25 4.39 0.30 -1.18 114.58 120.37 1upp h GLU 88 Ca 0.41 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1upp h GLU 88 Cb 0.65 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1upp h GLU 88 CO -0.45 0.62 -0.05 1.49 -1.16 0.00 0.00 179.01 179.46 1upp h GLU 89 N 0.55 -0.13 -0.64 2.33 4.81 -0.01 -1.84 114.58 119.65 1upp h GLU 89 Ca 0.11 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1upp h GLU 89 Cb 0.39 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 1upp h GLU 89 CO 0.02 0.29 0.24 0.00 -0.73 0.00 0.00 179.01 178.83 1upp h LYS 91 N 0.42 0.72 -0.09 0.00 1.57 -1.21 0.30 116.57 118.28 1upp h LYS 91 Ca 0.33 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.82 1upp h LYS 91 Cb 0.41 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1upp h LYS 91 CO -0.32 0.47 -0.88 1.57 -0.57 0.00 0.00 179.45 179.73 1upp h LYS 92 N 0.74 0.73 -0.03 3.15 5.09 -0.47 -2.85 116.57 122.92 1upp h LYS 92 Ca 0.42 -0.66 -0.12 0.00 0.09 0.00 0.00 60.65 60.37 1upp h LYS 92 Cb 0.46 0.16 -0.02 0.00 0.10 0.00 0.00 32.23 32.94 1upp h LYS 92 CO -0.29 1.26 -0.56 1.49 -2.09 0.00 0.00 179.45 179.26 1upp h GLU 93 N 0.46 0.09 -2.23 0.07 4.81 -0.93 -3.39 114.58 113.46 1upp h GLU 93 Ca -0.08 -0.05 -0.58 0.00 -0.13 0.00 0.00 59.36 58.52 1upp h GLU 93 Cb 1.51 0.01 -0.38 0.00 0.63 0.00 0.00 28.75 30.52 1upp h GLU 93 CO 0.17 0.62 -1.03 0.66 -0.73 0.00 0.00 179.01 178.71 1upp n TYR 94 N -3.88 -0.72 0.69 0.92 4.01 0.10 -4.93 117.16 113.34 1upp n TYR 94 Ca -0.02 -3.40 0.13 0.00 -0.16 0.00 0.00 57.90 54.45 1upp n TYR 94 Cb 0.57 0.04 0.33 0.00 -0.31 0.00 0.00 39.34 39.97 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 2.30 0.21 -0.30 -0.72 -0.04 -1.09 -2.54 135.00 132.82 1upp n PRO 95 Ca 0.27 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1upp n PRO 95 Cb 0.50 -1.69 0.27 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.03 3.23 -4.84 3.54 3.02 -1.26 -4.57 115.26 112.35 1upp n ASN 96 Ca 0.05 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.27 1upp n ASN 96 Cb 0.41 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.20 3.76 0.13 5.41 0.00 -1.05 -4.72 121.76 124.09 1upp s ALA 97 Ca 0.40 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1upp s ALA 97 Cb 0.21 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 1upp s ALA 97 CO 0.28 0.72 1.15 -0.06 0.00 0.00 0.00 175.76 177.84 1upp s PHE 98 N -1.25 3.51 -0.12 0.00 0.40 0.15 -3.85 117.98 116.83 1upp s PHE 98 Ca 0.25 1.47 0.03 0.00 -0.60 0.00 0.00 56.93 58.08 1upp s PHE 98 Cb -0.12 -3.35 0.01 0.00 0.51 0.00 0.00 43.02 40.07 1upp s PHE 98 CO 0.16 -0.91 -0.20 0.42 0.70 0.00 0.00 175.22 175.39 1upp s ILE 99 N 0.27 1.85 0.15 0.64 1.01 0.13 -0.92 121.20 124.34 1upp s ILE 99 Ca 0.53 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 60.43 1upp s ILE 99 Cb -0.30 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1upp s ILE 99 CO 0.33 0.51 -0.25 0.00 0.00 0.00 0.00 174.94 175.53 1upp s ARG 100 N 0.75 1.46 -0.21 2.79 1.70 -0.51 -0.73 118.95 124.21 1upp s ARG 100 Ca -0.10 -1.41 -0.07 0.00 -0.47 0.00 0.00 55.73 53.68 1upp s ARG 100 Cb -0.16 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.29 1upp s ARG 100 CO 0.01 0.43 0.06 0.42 -1.08 0.00 0.00 175.30 175.15 1upp s ILE 101 N -1.29 4.60 0.38 4.99 1.01 -0.58 -1.41 121.20 128.89 1upp s ILE 101 Ca 0.17 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.81 1upp s ILE 101 Cb -0.09 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 1upp s ILE 101 CO 0.08 0.41 0.03 0.27 0.00 0.00 0.00 174.94 175.73 1upp s ILE 102 N 0.83 2.32 -0.07 2.92 -4.36 0.67 -1.59 121.20 121.92 1upp s ILE 102 Ca 0.03 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1upp s ILE 102 Cb -0.14 -2.87 0.03 0.00 1.25 0.00 0.00 42.46 40.73 1upp s ILE 102 CO 0.02 -0.10 -0.01 -0.83 0.24 0.00 0.00 174.94 174.27 1upp s GLY 103 N -3.74 0.49 -0.06 6.27 0.00 -0.73 -1.68 107.32 107.87 1upp s GLY 103 Ca 0.36 -0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.68 1upp s GLY 103 CO 0.19 1.08 0.79 -1.36 0.00 0.00 0.00 173.10 173.81 1upp s PHE 104 N 1.90 3.58 -0.31 1.90 0.08 0.38 -1.13 117.98 124.37 1upp s PHE 104 Ca 0.04 1.38 -0.18 0.00 0.12 0.00 0.00 56.93 58.29 1upp s PHE 104 Cb -0.12 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.39 1upp s PHE 104 CO -0.05 0.02 0.49 0.34 -0.10 0.00 0.00 175.22 175.92 1upp s ASP 105 N 0.90 6.34 0.12 1.36 -1.08 -0.62 -1.07 116.67 122.61 1upp s ASP 105 Ca 0.42 0.16 0.27 0.00 -0.52 0.00 0.00 52.55 52.88 1upp s ASP 105 Cb -0.18 -2.26 0.98 0.00 -1.46 0.00 0.00 42.92 39.99 1upp s ASP 105 CO 0.20 -0.39 1.83 -1.54 0.52 0.00 0.00 175.17 175.80 1upp n SER 106 N 5.63 0.47 0.06 -0.34 3.41 -1.26 -0.02 113.62 121.57 1upp n SER 106 Ca -0.05 0.53 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 1upp n SER 106 Cb 0.49 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 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 0.88 0.27 4.04 2.35 -1.96 -3.29 115.58 117.88 1upp h ASN 107 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1upp h ASN 107 Cb 0.64 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1upp h ASN 107 CO 0.00 1.55 -0.94 0.54 -1.65 0.00 0.00 177.43 176.93 1upp n ARG 108 N -3.85 0.14 -3.82 0.81 1.74 -1.22 -4.98 116.66 105.48 1upp n ARG 108 Ca -0.12 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.71 1upp n ARG 108 Cb 0.91 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.70 -4.34 -4.33 5.56 2.13 0.98 -5.01 120.64 113.93 1upp n GLU 109 Ca 0.03 0.53 -0.19 0.00 0.66 0.00 0.00 57.16 58.19 1upp n GLU 109 Cb 0.38 -4.97 -0.13 0.00 0.27 0.00 0.00 31.44 26.99 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 -3.73 1.05 -0.11 6.31 1.01 -0.98 -5.00 120.40 118.94 1upp s VAL 110 Ca 0.08 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1upp s VAL 110 Cb -0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1upp s VAL 110 CO 0.84 -0.01 1.41 -1.10 0.00 0.00 0.00 175.10 176.25 1upp s GLN 111 N -1.11 4.22 -0.02 2.72 -0.21 -1.26 -1.60 119.66 122.40 1upp s GLN 111 Ca 0.01 1.87 0.22 0.00 0.02 0.00 0.00 55.36 57.48 1upp s GLN 111 Cb -0.08 -3.83 -0.32 0.00 1.00 0.00 0.00 33.01 29.79 1upp s GLN 111 CO 0.01 -0.74 0.56 0.00 -2.12 0.00 0.00 175.29 172.99 1upp s ILE 113 N -3.43 1.90 -0.30 0.00 -1.09 -1.18 -4.95 121.20 112.15 1upp s ILE 113 Ca -0.05 -1.38 -0.14 0.00 -2.23 0.00 0.00 60.65 56.85 1upp s ILE 113 Cb 0.14 -1.65 0.17 0.00 -1.58 0.00 0.00 42.46 39.55 1upp s ILE 113 CO 0.90 0.21 1.04 -0.55 -1.23 0.00 0.00 174.94 175.31 1upp s SER 114 N -1.40 -0.49 0.07 3.58 0.15 -1.25 -1.77 113.70 112.59 1upp s SER 114 Ca 0.09 0.50 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 1upp s SER 114 Cb -0.09 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1upp s SER 114 CO 0.03 -0.09 0.21 0.72 1.20 0.00 0.00 173.24 175.31 1upp s PHE 115 N 2.61 0.08 -0.01 3.44 -0.71 -0.62 -4.40 117.98 118.37 1upp s PHE 115 Ca -0.01 -0.43 -0.30 0.00 -1.04 0.00 0.00 56.93 55.16 1upp s PHE 115 Cb -0.07 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.69 1upp s PHE 115 CO -0.15 -0.52 1.06 -1.50 -1.34 0.00 0.00 175.22 172.77 1upp s ILE 116 N -3.41 4.60 -0.57 -4.49 1.10 -1.26 -1.53 121.20 115.64 1upp s ILE 116 Ca 0.01 1.87 0.09 0.00 -0.51 0.00 0.00 60.65 62.11 1upp s ILE 116 Cb 0.03 -4.20 -0.06 0.00 0.15 0.00 0.00 42.46 38.38 1upp s ILE 116 CO -0.09 0.10 0.45 0.00 -2.11 0.00 0.00 174.94 173.30 1upp n ALA 117 N 4.27 2.97 -3.63 1.50 0.00 0.09 -4.90 120.51 120.81 1upp n ALA 117 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 1upp n ALA 117 Cb 0.49 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.58 -0.56 0.11 0.00 5.04 -0.83 -4.96 117.35 114.56 1upp s TYR 118 Ca 0.05 1.12 0.10 0.00 -2.44 0.00 0.00 57.07 55.89 1upp s TYR 118 Cb 0.07 0.34 -0.04 0.00 0.35 0.00 0.00 41.96 42.68 1upp s TYR 118 CO 0.30 -0.28 -0.25 0.15 -1.34 0.00 0.00 175.55 174.13 1upp s LYS 119 N 1.40 1.36 1.14 4.97 1.02 -1.26 -0.69 119.74 127.68 1upp s LYS 119 Ca -0.09 -1.25 -0.19 0.00 0.02 0.00 0.00 55.97 54.46 1upp s LYS 119 Cb -0.04 -1.75 0.28 0.00 -0.52 0.00 0.00 37.83 35.80 1upp s LYS 119 CO -0.15 0.42 1.11 -0.35 -0.92 0.00 0.00 175.35 175.45 1upp n PRO 120 N 1.09 -2.72 -2.41 -1.68 -0.04 -1.25 -4.89 135.00 123.11 1upp n PRO 120 Ca -0.18 -1.75 -0.42 0.00 -0.04 0.00 0.00 63.50 61.11 1upp n PRO 120 Cb 0.53 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.21 3.41 0.00 0.55 0.00 -1.26 -2.45 121.76 118.80 1upp s ALA 121 Ca 0.70 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1upp s ALA 121 Cb -0.06 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1upp s ALA 121 CO 0.52 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1upp n GLY 122 N 2.79 0.62 0.00 0.00 0.00 -1.26 -5.17 105.19 102.18 1upp n GLY 122 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1upp n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60