#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upm s GLN 2 N 0.00 3.40 -0.22 2.12 0.74 -1.26 -5.09 119.66 119.36 1upm s GLN 2 Ca 0.00 -0.18 -0.15 0.00 0.05 0.00 0.00 55.36 55.08 1upm s GLN 2 Cb 0.00 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 1upm s GLN 2 CO 0.00 0.74 0.34 0.08 -0.55 0.00 0.00 175.29 175.90 1upm s VAL 3 N -0.92 5.23 -0.06 1.34 1.01 -1.26 -5.04 120.40 120.70 1upm s VAL 3 Ca 0.14 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1upm s VAL 3 Cb -0.12 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1upm s VAL 3 CO 0.03 0.27 1.59 0.86 0.00 0.00 0.00 175.10 177.85 1upm s TRP 4 N 1.32 2.15 1.07 5.22 -0.11 -1.26 -4.96 118.94 122.36 1upm s TRP 4 Ca 0.16 0.34 -0.13 0.00 1.22 0.00 0.00 56.10 57.68 1upm s TRP 4 Cb -0.15 -3.85 0.19 0.00 -1.50 0.00 0.00 33.47 28.17 1upm s TRP 4 CO 0.07 -3.49 0.79 -2.30 -4.62 0.00 0.00 176.95 167.40 1upm n PRO 5 N 6.94 -1.54 0.00 5.86 -0.02 -1.26 -5.00 135.00 139.98 1upm n PRO 5 Ca 0.17 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1upm n PRO 5 Cb 0.43 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1upm n PRO 5 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1upm n ILE 6 N -4.53 0.00 -4.28 4.25 0.13 -1.26 -4.94 119.36 108.73 1upm n ILE 6 Ca 0.05 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.36 1upm n ILE 6 Cb 0.55 -0.94 -0.10 0.00 -0.84 0.00 0.00 39.64 38.31 1upm n ILE 6 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1upm s LEU 7 N -4.03 3.52 -1.24 9.51 1.43 -1.26 -4.38 118.68 122.23 1upm s LEU 7 Ca 0.00 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1upm s LEU 7 Cb 0.00 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1upm s LEU 7 CO 0.00 0.24 0.75 0.59 0.23 0.00 0.00 176.35 178.17 1upm n ASN 8 N 3.05 -2.50 -1.90 2.29 5.03 -1.26 -4.89 115.26 115.07 1upm n ASN 8 Ca -0.18 -0.83 -0.06 0.00 0.87 0.00 0.00 54.58 54.38 1upm n ASN 8 Cb 0.53 -4.13 0.07 0.00 -1.02 0.00 0.00 39.78 35.22 1upm n ASN 8 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1upm n LEU 9 N -4.13 2.86 -4.77 3.41 7.99 -1.26 -5.07 117.00 116.03 1upm n LEU 9 Ca -0.24 -3.62 -0.40 0.00 -0.01 0.00 0.00 56.01 51.73 1upm n LEU 9 Cb 0.66 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1upm n LEU 9 CO 0.67 1.39 1.08 -0.54 -1.51 0.00 0.00 177.39 178.48 1upm s LYS 10 N -3.00 4.00 0.28 3.23 -0.14 -1.26 -5.03 119.74 117.83 1upm s LYS 10 Ca 0.39 2.45 0.06 0.00 -1.36 0.00 0.00 55.97 57.50 1upm s LYS 10 Cb 0.37 -2.87 -0.06 0.00 -1.68 0.00 0.00 37.83 33.59 1upm s LYS 10 CO -0.04 -0.57 -0.04 0.15 -0.76 0.00 0.00 175.35 174.09 1upm s LYS 11 N -2.18 1.56 -0.17 1.68 -0.14 -1.26 -5.09 119.74 114.14 1upm s LYS 11 Ca 0.55 -1.80 0.18 0.00 -1.36 0.00 0.00 55.97 53.54 1upm s LYS 11 Cb -0.44 -1.09 0.45 0.00 -1.68 0.00 0.00 37.83 35.08 1upm s LYS 11 CO 0.59 -0.00 1.17 0.66 -0.76 0.00 0.00 175.35 177.00 1upm n TYR 12 N -0.59 0.88 -4.85 3.18 4.02 -1.26 -5.10 117.16 113.43 1upm n TYR 12 Ca -0.05 -1.50 0.00 0.00 -0.01 0.00 0.00 57.90 56.34 1upm n TYR 12 Cb 0.64 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1upm n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1upm n GLU 13 N -0.40 0.00 -1.68 -0.72 -0.58 -1.26 -4.61 120.64 111.39 1upm n GLU 13 Ca 0.17 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.44 1upm n GLU 13 Cb 0.92 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.74 1upm n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1upm n THR 14 N 0.00 0.49 -0.12 2.62 -1.04 -1.26 -1.84 114.28 113.12 1upm n THR 14 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1upm n THR 14 Cb 0.00 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 1upm n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upm n LEU 15 N 6.14 0.00 0.02 -4.42 4.77 -1.26 -4.62 117.00 117.63 1upm n LEU 15 Ca 0.21 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1upm n LEU 15 Cb 0.31 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.91 1upm n LEU 15 CO 0.71 0.00 0.84 -1.54 -1.33 0.00 0.00 177.39 176.06 1upm n SER 16 N 0.00 0.23 -0.28 -1.43 3.41 -0.77 -1.97 113.62 112.80 1upm n SER 16 Ca 0.00 0.36 0.15 0.00 -0.26 0.00 0.00 58.87 59.12 1upm n SER 16 Cb 0.00 -0.38 0.67 0.00 -0.26 0.00 0.00 64.21 64.24 1upm n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1upm n TYR 17 N -1.63 0.00 -2.82 7.33 4.02 -1.26 -4.85 117.16 117.95 1upm n TYR 17 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.72 1upm n TYR 17 Cb 0.36 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1upm n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1upm s LEU 18 N -2.05 3.51 0.79 7.72 1.43 -0.83 -5.07 118.68 124.17 1upm s LEU 18 Ca 0.40 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 1upm s LEU 18 Cb 0.21 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1upm s LEU 18 CO 0.36 -0.84 0.88 -2.65 0.23 0.00 0.00 176.35 174.34 1upm n PRO 19 N -2.22 0.21 -1.67 1.29 -0.02 -1.26 -4.89 135.00 126.44 1upm n PRO 19 Ca 0.03 0.13 -0.46 0.00 -2.02 0.00 0.00 63.50 61.18 1upm n PRO 19 Cb 0.58 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1upm n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1upm n PRO 20 N -2.16 2.17 -1.66 0.52 -0.02 -1.26 -4.87 135.00 127.72 1upm n PRO 20 Ca 0.12 0.78 -0.51 0.00 -2.02 0.00 0.00 63.50 61.87 1upm n PRO 20 Cb 0.50 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 1upm n PRO 20 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1upm n LEU 21 N 3.37 2.71 -4.69 2.45 4.77 -1.26 -5.00 117.00 119.35 1upm n LEU 21 Ca 0.17 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.92 1upm n LEU 21 Cb 0.29 -1.29 0.17 0.00 -2.33 0.00 0.00 43.42 40.26 1upm n LEU 21 CO 0.63 -0.42 0.65 0.42 -1.33 0.00 0.00 177.39 177.34 1upm s THR 22 N 2.32 2.10 0.21 -5.08 -4.23 -1.26 -4.83 115.64 104.88 1upm s THR 22 Ca 0.88 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 1upm s THR 22 Cb -0.83 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 70.62 1upm s THR 22 CO 0.50 -0.04 1.79 0.71 -0.54 0.00 0.00 174.62 177.04 1upm h THR 23 N -1.84 1.26 -0.70 3.99 1.35 -1.99 -0.70 112.91 114.28 1upm h THR 23 Ca -0.54 -0.77 -0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1upm h THR 23 Cb 1.33 0.29 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 1upm h THR 23 CO 0.58 0.32 0.42 0.44 -0.25 0.00 0.00 175.52 177.03 1upm h ASP 24 N 1.14 0.84 -0.41 5.36 3.32 -1.99 -1.18 116.42 123.50 1upm h ASP 24 Ca 0.27 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1upm h ASP 24 Cb 0.18 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1upm h ASP 24 CO -0.03 0.66 -0.03 1.56 -1.72 0.00 0.00 179.24 179.68 1upm h GLN 25 N 0.95 0.83 -0.23 3.56 4.20 -1.77 -1.90 115.11 120.75 1upm h GLN 25 Ca 0.25 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1upm h GLN 25 Cb -0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1upm h GLN 25 CO -0.05 0.85 0.09 1.25 -0.67 0.00 0.00 178.83 180.30 1upm h LEU 26 N 0.76 0.32 -1.04 1.46 5.85 -1.02 -2.33 115.31 119.31 1upm h LEU 26 Ca 0.14 -0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.85 1upm h LEU 26 Cb 0.50 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1upm h LEU 26 CO 0.03 0.40 0.62 0.00 -0.34 0.00 0.00 178.44 179.15 1upm h ALA 27 N 0.93 1.63 -0.00 1.25 0.00 -1.03 -2.43 119.26 119.60 1upm h ALA 27 Ca 0.08 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1upm h ALA 27 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1upm h ALA 27 CO -0.01 0.06 -0.72 0.00 0.00 0.00 0.00 179.25 178.58 1upm h ARG 28 N 0.86 0.02 -0.55 0.00 3.08 -1.01 -0.69 114.38 116.08 1upm h ARG 28 Ca 0.53 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.47 1upm h ARG 28 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1upm h ARG 28 CO -0.32 0.73 -0.05 1.96 -1.07 0.00 0.00 179.97 181.22 1upm h GLN 29 N 0.01 0.98 -0.42 0.04 1.08 -0.97 -1.44 115.11 114.40 1upm h GLN 29 Ca -0.01 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 56.79 1upm h GLN 29 Cb 1.28 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1upm h GLN 29 CO 0.10 1.00 -0.01 0.28 -0.95 0.00 0.00 178.83 179.24 1upm h VAL 30 N 0.89 1.26 -0.92 -0.54 2.07 -1.12 -2.13 116.25 115.75 1upm h VAL 30 Ca 0.15 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.69 1upm h VAL 30 Cb 0.60 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 1upm h VAL 30 CO 0.04 0.36 0.58 0.44 0.02 0.00 0.00 177.57 179.01 1upm h ASP 31 N 0.59 0.91 -0.70 0.57 3.32 -1.03 -1.16 116.42 118.92 1upm h ASP 31 Ca 0.12 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1upm h ASP 31 Cb 0.51 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1upm h ASP 31 CO 0.02 0.57 0.23 0.22 -1.72 0.00 0.00 179.24 178.57 1upm h TYR 32 N 1.04 1.12 -0.02 4.55 3.20 -1.01 0.34 116.97 126.20 1upm h TYR 32 Ca 0.41 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1upm h TYR 32 Cb 0.21 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1upm h TYR 32 CO -0.02 0.89 0.00 1.25 -1.64 0.00 0.00 178.16 178.64 1upm h LEU 33 N 1.03 0.03 -0.73 2.82 5.85 -0.91 -2.60 115.31 120.81 1upm h LEU 33 Ca 0.23 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1upm h LEU 33 Cb 0.28 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1upm h LEU 33 CO -0.01 0.26 0.07 -0.07 -0.34 0.00 0.00 178.44 178.35 1upm h LEU 34 N -0.20 1.01 -1.84 2.25 3.38 -1.01 -2.89 115.31 116.01 1upm h LEU 34 Ca 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1upm h LEU 34 Cb 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1upm h LEU 34 CO 0.00 1.02 -0.14 0.78 0.09 0.00 0.00 178.44 180.19 1upm h ASN 35 N 0.97 0.00 -0.07 -0.43 2.35 -0.26 0.13 115.58 118.27 1upm h ASN 35 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1upm h ASN 35 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1upm h ASN 35 CO 0.02 0.14 0.00 0.59 -1.65 0.00 0.00 177.43 176.52 1upm n ASN 36 N -4.03 0.75 -3.21 5.81 3.02 -0.98 -4.93 115.26 111.69 1upm n ASN 36 Ca -0.02 -1.53 -0.21 0.00 -0.03 0.00 0.00 54.58 52.78 1upm n ASN 36 Cb 0.22 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.41 1upm n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1upm n LYS 37 N -0.30 -6.95 -3.66 3.52 5.02 0.45 -5.01 118.16 111.23 1upm n LYS 37 Ca 0.15 0.73 -0.31 0.00 -2.02 0.00 0.00 58.31 56.87 1upm n LYS 37 Cb 0.19 -5.48 -0.04 0.00 -0.02 0.00 0.00 35.03 29.68 1upm n LYS 37 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1upm s TRP 38 N -3.28 3.48 -0.31 2.13 0.51 -1.10 -4.95 118.94 115.42 1upm s TRP 38 Ca 0.51 0.52 -0.24 0.00 -2.12 0.00 0.00 56.10 54.77 1upm s TRP 38 Cb -0.22 -1.98 0.00 0.00 -0.81 0.00 0.00 33.47 30.46 1upm s TRP 38 CO 0.63 0.41 0.82 0.08 -0.51 0.00 0.00 176.95 178.38 1upm s VAL 39 N -1.72 4.76 0.42 4.03 1.01 -0.20 -4.63 120.40 124.07 1upm s VAL 39 Ca 0.41 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 63.39 1upm s VAL 39 Cb -0.12 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1upm s VAL 39 CO 0.26 -0.27 1.21 -2.16 0.00 0.00 0.00 175.10 174.13 1upm s PRO 40 N 3.03 3.93 -0.07 2.72 0.04 -1.26 -0.36 135.00 143.03 1upm s PRO 40 Ca 0.34 1.93 -0.09 0.00 0.04 0.00 0.00 61.00 63.22 1upm s PRO 40 Cb -0.14 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.79 1upm s PRO 40 CO 0.13 -0.45 0.23 0.00 0.04 0.00 0.00 177.00 176.95 1upm s LEU 42 N -0.22 4.37 0.03 0.00 1.02 -1.26 -1.24 118.68 121.38 1upm s LEU 42 Ca -0.03 0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.51 1upm s LEU 42 Cb -0.03 -2.56 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 1upm s LEU 42 CO 0.01 0.28 -0.08 -1.61 0.02 0.00 0.00 176.35 174.97 1upm s GLU 43 N -1.83 0.55 0.06 1.70 2.02 -0.81 -1.44 118.70 118.95 1upm s GLU 43 Ca 0.26 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 1upm s GLU 43 Cb -0.13 -0.42 -0.02 0.00 0.10 0.00 0.00 34.13 33.67 1upm s GLU 43 CO 0.17 0.09 0.07 -0.59 0.02 0.00 0.00 175.26 175.02 1upm s PHE 44 N -0.92 0.33 -0.25 1.61 -0.71 -0.52 -1.00 117.98 116.52 1upm s PHE 44 Ca -0.05 -0.80 -0.13 0.00 -1.04 0.00 0.00 56.93 54.91 1upm s PHE 44 Cb -0.07 -0.23 0.08 0.00 -1.21 0.00 0.00 43.02 41.59 1upm s PHE 44 CO 0.00 -0.44 0.61 -2.00 -1.34 0.00 0.00 175.22 172.05 1upm s GLU 45 N -3.71 0.60 -0.16 1.99 2.56 -0.47 -1.08 118.70 118.44 1upm s GLU 45 Ca 0.04 1.16 0.14 0.00 0.00 0.00 0.00 54.97 56.31 1upm s GLU 45 Cb 0.05 0.23 -0.19 0.00 2.00 0.00 0.00 34.13 36.22 1upm s GLU 45 CO -0.10 -0.17 0.05 0.25 -0.56 0.00 0.00 175.26 174.74 1upm n THR 46 N 4.55 1.09 -0.12 -1.70 -2.24 -1.26 -0.54 114.28 114.06 1upm n THR 46 Ca -0.19 -0.67 -0.22 0.00 -2.27 0.00 0.00 64.05 60.71 1upm n THR 46 Cb 0.56 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 1upm n THR 46 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1upm n ASP 47 N -2.60 1.94 -4.00 3.42 8.00 -1.26 -4.73 116.55 117.32 1upm n ASP 47 Ca -0.26 0.36 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 1upm n ASP 47 Cb 1.01 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1upm n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upm s HIS 48 N -2.60 3.59 0.48 1.24 3.76 -1.26 -4.93 115.29 115.56 1upm s HIS 48 Ca -0.34 -3.13 0.18 0.00 -0.15 0.00 0.00 55.06 51.61 1upm s HIS 48 Cb 0.10 -2.96 1.20 0.00 1.11 0.00 0.00 32.58 32.03 1upm s HIS 48 CO 0.47 -0.68 2.07 0.78 -0.85 0.00 0.00 174.74 176.53 1upm h GLY 49 N 5.98 0.00 -1.75 -2.22 0.00 -1.89 -3.44 103.07 99.75 1upm h GLY 49 Ca 0.09 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.80 1upm h GLY 49 CO 0.75 0.00 -0.62 -1.36 0.00 0.00 0.00 176.54 175.31 1upm s PHE 50 N -4.69 2.47 0.41 5.60 0.08 -1.26 -5.12 117.98 115.47 1upm s PHE 50 Ca -0.04 -0.63 -0.17 0.00 0.12 0.00 0.00 56.93 56.20 1upm s PHE 50 Cb 0.16 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.86 1upm s PHE 50 CO 0.66 0.48 0.88 0.54 -0.10 0.00 0.00 175.22 177.68 1upm s VAL 51 N -2.70 4.54 0.28 -0.44 0.11 -1.26 -4.76 120.40 116.17 1upm s VAL 51 Ca 0.34 1.20 -0.19 0.00 -2.93 0.00 0.00 61.98 60.40 1upm s VAL 51 Cb 0.08 -3.64 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 1upm s VAL 51 CO 0.17 -0.37 0.67 -0.72 -3.33 0.00 0.00 175.10 171.52 1upm s TYR 52 N -2.23 -0.04 -0.49 1.54 1.13 -0.64 -5.00 117.35 111.62 1upm s TYR 52 Ca 0.58 -0.41 0.03 0.00 -1.41 0.00 0.00 57.07 55.86 1upm s TYR 52 Cb -0.10 0.60 0.15 0.00 -1.10 0.00 0.00 41.96 41.52 1upm s TYR 52 CO 0.20 -1.21 0.32 1.03 -2.51 0.00 0.00 175.55 173.37 1upm s ARG 53 N -3.81 1.46 -0.20 -3.49 0.52 -1.26 -0.36 118.95 111.80 1upm s ARG 53 Ca 0.14 -2.34 -0.18 0.00 -0.52 0.00 0.00 55.73 52.83 1upm s ARG 53 Cb -0.05 -2.36 -0.14 0.00 0.52 0.00 0.00 34.95 32.92 1upm s ARG 53 CO 0.08 -1.24 0.03 -1.91 0.02 0.00 0.00 175.30 172.27 1upm n GLU 54 N 3.02 0.54 0.04 3.54 2.13 -1.26 -4.68 120.64 123.96 1upm n GLU 54 Ca 0.16 0.51 0.11 0.00 0.66 0.00 0.00 57.16 58.60 1upm n GLU 54 Cb 0.38 -1.69 0.08 0.00 0.27 0.00 0.00 31.44 30.48 1upm n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1upm n HIS 55 N -4.45 0.35 -3.72 4.31 8.25 -1.26 -4.98 115.22 113.73 1upm n HIS 55 Ca -0.30 0.10 -0.07 0.00 -0.26 0.00 0.00 57.72 57.20 1upm n HIS 55 Cb 0.62 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1upm n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1upm s HIS 56 N -3.18 -0.24 0.00 4.41 2.46 -1.26 -5.08 115.29 112.40 1upm s HIS 56 Ca 0.05 -0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.48 1upm s HIS 56 Cb 0.14 0.64 0.00 0.00 -0.13 0.00 0.00 32.58 33.24 1upm s HIS 56 CO 0.77 -0.96 0.06 0.09 -2.47 0.00 0.00 174.74 172.24 1upm n ASN 57 N -0.43 0.00 -4.73 9.88 3.02 -1.26 -4.83 115.26 116.91 1upm n ASN 57 Ca -0.07 -1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.18 1upm n ASN 57 Cb 0.61 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.91 1upm n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1upm s SER 58 N 0.00 3.70 -0.11 6.41 1.04 -1.26 -4.89 113.70 118.59 1upm s SER 58 Ca 0.00 1.52 -0.38 0.00 0.48 0.00 0.00 55.95 57.57 1upm s SER 58 Cb 0.00 -2.20 -0.15 0.00 0.10 0.00 0.00 66.02 63.76 1upm s SER 58 CO 0.00 -2.50 1.64 -2.65 0.98 0.00 0.00 173.24 170.71 1upm n PRO 59 N -3.79 1.38 -0.79 4.02 -0.02 -1.26 -1.92 135.00 132.62 1upm n PRO 59 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1upm n PRO 59 Cb 0.55 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1upm n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upm n GLY 60 N 3.68 0.86 3.66 -1.23 0.00 -1.26 -5.02 105.19 105.89 1upm n GLY 60 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1upm n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upm s TYR 61 N -3.40 3.34 0.01 1.61 6.14 -0.81 -5.08 117.35 119.16 1upm s TYR 61 Ca 0.00 0.41 0.00 0.00 0.64 0.00 0.00 57.07 58.12 1upm s TYR 61 Cb 0.00 -2.40 -0.01 0.00 0.42 0.00 0.00 41.96 39.97 1upm s TYR 61 CO 0.00 0.02 -0.02 0.71 0.64 0.00 0.00 175.55 176.90 1upm s TYR 62 N 1.22 0.15 0.55 4.97 2.02 -1.26 -4.75 117.35 120.25 1upm s TYR 62 Ca 0.13 -0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1upm s TYR 62 Cb -0.14 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1upm s TYR 62 CO 0.06 -0.06 0.88 -0.51 -1.57 0.00 0.00 175.55 174.35 1upm s ASP 63 N -0.53 6.01 0.00 2.29 1.01 0.51 -4.49 116.67 121.46 1upm s ASP 63 Ca -0.05 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.17 1upm s ASP 63 Cb -0.04 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1upm s ASP 63 CO -0.00 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.17 1upm n GLY 64 N -2.48 0.94 0.16 0.21 0.00 -1.26 -1.61 105.19 101.14 1upm n GLY 64 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1upm n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1upm h ARG 65 N 3.75 0.59 -6.40 1.61 3.08 -1.93 -3.43 114.38 111.64 1upm h ARG 65 Ca 0.00 -0.83 -0.54 0.00 0.07 0.00 0.00 59.98 58.68 1upm h ARG 65 Cb 0.00 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1upm h ARG 65 CO 0.00 1.38 0.66 0.71 -1.07 0.00 0.00 179.97 181.65 1upm s TYR 66 N -2.88 3.24 0.16 3.04 2.02 -1.26 -5.05 117.35 116.61 1upm s TYR 66 Ca -0.10 1.17 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 1upm s TYR 66 Cb 0.05 -3.47 0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1upm s TYR 66 CO 0.93 -1.53 0.15 0.91 -1.57 0.00 0.00 175.55 174.44 1upm n TRP 67 N 4.65 -1.70 -4.46 2.71 7.02 -1.26 -5.10 117.44 119.29 1upm n TRP 67 Ca 0.10 -0.65 -0.34 0.00 -1.02 0.00 0.00 57.50 55.59 1upm n TRP 67 Cb 0.46 -0.14 -0.10 0.00 -2.42 0.00 0.00 31.31 29.11 1upm n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1upm s THR 68 N -0.56 4.06 0.05 -0.99 -1.32 -0.24 -4.89 115.64 111.76 1upm s THR 68 Ca 0.11 -0.34 -0.31 0.00 -1.21 0.00 0.00 61.69 59.95 1upm s THR 68 Cb -0.01 -2.70 -0.06 0.00 -1.51 0.00 0.00 72.50 68.22 1upm s THR 68 CO 0.07 0.59 1.36 -0.32 -2.21 0.00 0.00 174.62 174.12 1upm s MET 69 N -0.73 4.32 -0.35 7.08 1.75 -1.26 -1.44 119.30 128.67 1upm s MET 69 Ca 0.11 1.97 -0.28 0.00 -1.25 0.00 0.00 55.69 56.24 1upm s MET 69 Cb -0.11 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.16 1upm s MET 69 CO 0.02 -0.47 1.04 -0.46 -0.65 0.00 0.00 175.02 174.50 1upm s TRP 70 N 1.68 3.10 0.00 4.11 -0.11 -0.52 -4.90 118.94 122.29 1upm s TRP 70 Ca 0.63 1.04 0.00 0.00 1.22 0.00 0.00 56.10 58.99 1upm s TRP 70 Cb -0.33 -3.74 0.00 0.00 -1.50 0.00 0.00 33.47 27.90 1upm s TRP 70 CO 0.28 -0.82 0.00 1.63 -4.62 0.00 0.00 176.95 173.42 1upm n LYS 71 N 6.92 0.00 -4.33 5.86 5.02 -1.26 -4.52 118.16 125.85 1upm n LYS 71 Ca 0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.22 1upm n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 1upm n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upm s LEU 72 N 0.00 2.34 0.36 -0.35 1.43 -1.26 -5.10 118.68 116.09 1upm s LEU 72 Ca 0.00 -1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 51.67 1upm s LEU 72 Cb 0.00 -0.37 -0.12 0.00 0.03 0.00 0.00 46.19 45.73 1upm s LEU 72 CO 0.00 -0.42 1.33 -2.65 0.23 0.00 0.00 176.35 174.83 1upm n PRO 73 N -0.39 2.22 -2.08 1.29 -0.02 -1.26 -4.82 135.00 129.93 1upm n PRO 73 Ca -0.06 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1upm n PRO 73 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1upm n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1upm n MET 74 N 0.49 3.54 -1.75 -0.52 2.81 -0.44 -4.99 117.12 116.25 1upm n MET 74 Ca 0.04 -3.20 -0.41 0.00 -1.81 0.00 0.00 57.70 52.31 1upm n MET 74 Cb 0.37 -2.98 -0.00 0.00 -0.71 0.00 0.00 33.22 29.90 1upm n MET 74 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1upm n PHE 75 N 4.17 2.77 -0.99 2.03 3.72 -1.26 -1.74 117.46 126.17 1upm n PHE 75 Ca 0.48 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 58.35 1upm n PHE 75 Cb 0.35 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.39 1upm n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upm n GLY 76 N 0.55 0.18 3.74 1.37 0.00 -1.26 -5.00 105.19 104.77 1upm n GLY 76 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1upm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upm n THR 78 N 2.73 0.00 -4.06 0.00 -2.24 -1.26 -4.99 114.28 104.46 1upm n THR 78 Ca 0.07 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1upm n THR 78 Cb 0.42 1.46 -0.15 0.00 -2.10 0.00 0.00 70.33 69.95 1upm n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1upm s ASP 79 N -0.04 3.94 0.54 3.42 2.15 -1.26 -5.00 116.67 120.42 1upm s ASP 79 Ca 0.00 -0.98 0.22 0.00 0.43 0.00 0.00 52.55 52.22 1upm s ASP 79 Cb 0.00 -1.56 1.43 0.00 -0.30 0.00 0.00 42.92 42.50 1upm s ASP 79 CO 0.00 -0.10 2.12 1.55 -0.17 0.00 0.00 175.17 178.57 1upm h PRO 80 N 7.90 0.00 -0.24 4.34 0.13 -1.96 -1.83 132.00 140.35 1upm h PRO 80 Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1upm h PRO 80 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1upm h PRO 80 CO 0.56 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.24 1upm h ALA 81 N 1.90 1.42 0.13 -0.56 0.00 -1.98 -1.93 119.26 118.23 1upm h ALA 81 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1upm h ALA 81 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 81 CO -0.00 0.40 -0.12 1.96 0.00 0.00 0.00 179.25 181.49 1upm h GLN 82 N 0.36 -0.26 -0.16 0.00 4.20 -1.76 0.15 115.11 117.64 1upm h GLN 82 Ca 0.07 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1upm h GLN 82 Cb 0.38 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1upm h GLN 82 CO 0.02 -0.17 -0.09 0.28 -0.67 0.00 0.00 178.83 178.19 1upm h VAL 83 N -0.27 0.72 -0.23 -0.54 2.07 -1.54 -0.48 116.25 115.98 1upm h VAL 83 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1upm h VAL 83 Cb 0.26 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1upm h VAL 83 CO -0.03 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.48 1upm h LEU 84 N -0.09 0.31 -0.32 2.57 3.38 -1.30 -1.33 115.31 118.54 1upm h LEU 84 Ca 0.09 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1upm h LEU 84 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1upm h LEU 84 CO -0.21 0.38 -0.02 -1.13 0.09 0.00 0.00 178.44 177.56 1upm h ASN 85 N 0.33 0.57 -0.63 -0.43 -0.73 -0.41 -2.11 115.58 112.17 1upm h ASN 85 Ca 0.08 -0.32 -0.03 0.00 1.87 0.00 0.00 56.30 57.90 1upm h ASN 85 Cb 0.24 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 1upm h ASN 85 CO 0.01 0.75 0.30 -0.33 -0.37 0.00 0.00 177.43 177.79 1upm h GLU 86 N 0.37 0.94 -0.73 6.67 4.39 -0.59 -1.19 114.58 124.45 1upm h GLU 86 Ca 0.09 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1upm h GLU 86 Cb 0.47 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1upm h GLU 86 CO 0.02 0.74 0.46 1.25 -1.16 0.00 0.00 179.01 180.33 1upm h LEU 87 N 0.93 0.85 -0.91 1.33 5.85 -1.17 0.13 115.31 122.32 1upm h LEU 87 Ca 0.23 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1upm h LEU 87 Cb 0.13 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1upm h LEU 87 CO -0.03 0.64 0.11 -0.33 -0.34 0.00 0.00 178.44 178.49 1upm h GLU 88 N 0.99 0.91 -0.20 1.25 4.39 -0.83 -1.20 114.58 119.89 1upm h GLU 88 Ca 0.26 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1upm h GLU 88 Cb -0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1upm h GLU 88 CO -0.05 0.83 -0.00 1.49 -1.16 0.00 0.00 179.01 180.12 1upm h GLU 89 N 0.87 0.36 -0.45 2.33 4.81 -0.38 -2.38 114.58 119.73 1upm h GLU 89 Ca 0.18 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1upm h GLU 89 Cb 0.35 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1upm h GLU 89 CO 0.00 0.56 0.15 0.00 -0.73 0.00 0.00 179.01 178.99 1upm h LYS 91 N 0.32 1.22 -0.35 0.00 1.57 -1.14 0.13 116.57 118.32 1upm h LYS 91 Ca 0.21 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1upm h LYS 91 Cb 0.22 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1upm h LYS 91 CO -0.23 0.81 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.86 1upm h LYS 92 N 1.26 0.83 0.06 3.15 3.64 -1.15 -2.26 116.57 122.09 1upm h LYS 92 Ca 0.37 -0.43 -0.25 0.00 -1.27 0.00 0.00 60.65 59.08 1upm h LYS 92 Cb -0.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1upm h LYS 92 CO -0.10 1.06 -1.07 1.49 -2.27 0.00 0.00 179.45 178.56 1upm h GLU 93 N 0.68 0.33 -2.16 1.90 4.81 -1.16 -3.39 114.58 115.58 1upm h GLU 93 Ca 0.06 -0.43 -0.59 0.00 -0.13 0.00 0.00 59.36 58.27 1upm h GLU 93 Cb 0.95 0.14 -0.41 0.00 0.63 0.00 0.00 28.75 30.07 1upm h GLU 93 CO 0.09 1.14 -0.80 0.66 -0.73 0.00 0.00 179.01 179.38 1upm n TYR 94 N -3.64 2.00 0.37 0.92 4.01 0.43 -4.92 117.16 116.32 1upm n TYR 94 Ca -0.07 -3.92 0.12 0.00 -0.16 0.00 0.00 57.90 53.88 1upm n TYR 94 Cb 0.92 -0.46 0.53 0.00 -0.31 0.00 0.00 39.34 40.01 1upm n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upm h PRO 95 N 4.20 0.00 -0.21 -0.72 0.13 -1.62 -2.25 132.00 131.54 1upm h PRO 95 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1upm h PRO 95 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1upm h PRO 95 CO 0.68 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.72 1upm n ASN 96 N -2.33 3.01 -4.95 1.44 6.94 -1.26 -4.54 115.26 113.57 1upm n ASN 96 Ca 0.02 -1.94 -0.23 0.00 -0.02 0.00 0.00 54.58 52.41 1upm n ASN 96 Cb 0.22 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 1upm n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1upm s ALA 97 N -1.75 3.91 0.07 -2.53 0.00 -0.85 -4.76 121.76 115.86 1upm s ALA 97 Ca 0.34 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1upm s ALA 97 Cb 0.21 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1upm s ALA 97 CO 0.31 0.33 0.88 -0.06 0.00 0.00 0.00 175.76 177.22 1upm s PHE 98 N -1.91 3.77 -0.10 0.00 0.08 0.30 -3.52 117.98 116.60 1upm s PHE 98 Ca 0.34 1.65 0.02 0.00 0.12 0.00 0.00 56.93 59.07 1upm s PHE 98 Cb -0.10 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.40 1upm s PHE 98 CO 0.28 0.21 -0.17 0.42 -0.10 0.00 0.00 175.22 175.87 1upm s ILE 99 N 0.08 1.57 0.17 0.64 1.01 -0.69 -1.37 121.20 122.61 1upm s ILE 99 Ca 0.44 -0.71 0.11 0.00 0.00 0.00 0.00 60.65 60.49 1upm s ILE 99 Cb -0.22 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1upm s ILE 99 CO 0.27 0.45 -0.25 0.00 0.00 0.00 0.00 174.94 175.41 1upm s ARG 100 N 0.76 1.47 -0.19 2.79 1.70 -0.17 -0.68 118.95 124.62 1upm s ARG 100 Ca -0.11 -1.46 -0.06 0.00 -0.47 0.00 0.00 55.73 53.62 1upm s ARG 100 Cb -0.16 -1.85 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 1upm s ARG 100 CO 0.02 0.41 0.04 0.42 -1.08 0.00 0.00 175.30 175.11 1upm s ILE 101 N -1.47 4.41 0.24 4.99 1.01 -0.50 -1.93 121.20 127.95 1upm s ILE 101 Ca 0.18 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 60.78 1upm s ILE 101 Cb -0.09 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1upm s ILE 101 CO 0.08 0.44 -0.19 0.27 0.00 0.00 0.00 174.94 175.55 1upm s ILE 102 N 0.70 2.21 -0.05 2.92 -4.36 -0.37 -1.72 121.20 120.53 1upm s ILE 102 Ca 0.02 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1upm s ILE 102 Cb -0.14 -2.18 0.02 0.00 1.25 0.00 0.00 42.46 41.41 1upm s ILE 102 CO 0.02 -0.43 -0.06 -0.83 0.24 0.00 0.00 174.94 173.88 1upm s GLY 103 N -3.34 0.51 -0.10 6.27 0.00 -0.45 -1.12 107.32 109.11 1upm s GLY 103 Ca 0.26 -0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.78 1upm s GLY 103 CO 0.12 0.36 0.19 -1.36 0.00 0.00 0.00 173.10 172.40 1upm s PHE 104 N 0.83 3.62 -0.33 1.90 0.08 0.51 -0.84 117.98 123.75 1upm s PHE 104 Ca -0.12 0.61 -0.10 0.00 0.12 0.00 0.00 56.93 57.43 1upm s PHE 104 Cb -0.15 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1upm s PHE 104 CO 0.01 0.72 0.17 0.34 -0.10 0.00 0.00 175.22 176.36 1upm s ASP 105 N -1.06 5.61 0.41 1.36 -1.08 -0.66 -1.04 116.67 120.22 1upm s ASP 105 Ca 0.17 -0.70 0.25 0.00 -0.52 0.00 0.00 52.55 51.76 1upm s ASP 105 Cb -0.13 -2.01 0.61 0.00 -1.46 0.00 0.00 42.92 39.93 1upm s ASP 105 CO 0.06 -0.26 1.70 0.77 0.52 0.00 0.00 175.17 177.96 1upm h SER 106 N 8.38 0.00 -0.17 -0.34 4.64 -1.93 0.54 113.55 124.67 1upm h SER 106 Ca -0.30 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.82 1upm h SER 106 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1upm h SER 106 CO 0.63 0.00 -0.68 0.78 -0.87 0.00 0.00 176.83 176.70 1upm h ASN 107 N 0.00 0.89 0.39 4.97 2.35 -1.96 -3.28 115.58 118.94 1upm h ASN 107 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1upm h ASN 107 Cb 0.85 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1upm h ASN 107 CO 0.00 1.35 -1.37 0.54 -1.65 0.00 0.00 177.43 176.30 1upm n ARG 108 N -4.02 0.48 -3.61 0.81 1.74 -1.12 -5.00 116.66 105.95 1upm n ARG 108 Ca -0.07 -0.04 -0.25 0.00 -0.77 0.00 0.00 57.85 56.71 1upm n ARG 108 Cb 0.69 -1.62 0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1upm n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1upm n GLU 109 N -2.22 -2.40 -3.79 5.56 2.13 0.19 -5.01 120.64 115.09 1upm n GLU 109 Ca -0.01 0.57 -0.13 0.00 0.66 0.00 0.00 57.16 58.26 1upm n GLU 109 Cb 0.51 -4.74 -0.14 0.00 0.27 0.00 0.00 31.44 27.34 1upm n GLU 109 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1upm s VAL 110 N -3.53 -0.03 -0.03 6.31 1.01 -1.12 -5.01 120.40 118.01 1upm s VAL 110 Ca 0.34 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1upm s VAL 110 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1upm s VAL 110 CO 0.83 0.04 1.22 -1.10 0.00 0.00 0.00 175.10 176.09 1upm s GLN 111 N 0.64 4.36 -0.01 2.72 -0.21 -1.26 -1.65 119.66 124.25 1upm s GLN 111 Ca -0.05 1.71 0.20 0.00 0.02 0.00 0.00 55.36 57.24 1upm s GLN 111 Cb -0.07 -3.53 -0.25 0.00 1.00 0.00 0.00 33.01 30.17 1upm s GLN 111 CO -0.03 -0.43 0.68 0.00 -2.12 0.00 0.00 175.29 173.40 1upm s ILE 113 N -3.04 0.62 -0.28 0.00 -1.09 -1.19 -4.96 121.20 111.26 1upm s ILE 113 Ca 0.02 -0.29 -0.09 0.00 -2.23 0.00 0.00 60.65 58.06 1upm s ILE 113 Cb 0.14 -0.55 0.13 0.00 -1.58 0.00 0.00 42.46 40.60 1upm s ILE 113 CO 0.81 0.19 0.60 -0.55 -1.23 0.00 0.00 174.94 174.76 1upm s SER 114 N 0.10 -0.99 0.07 3.58 0.15 -1.26 -1.34 113.70 114.02 1upm s SER 114 Ca -0.01 1.41 -0.13 0.00 0.70 0.00 0.00 55.95 57.92 1upm s SER 114 Cb -0.06 2.11 0.02 0.00 -1.71 0.00 0.00 66.02 66.38 1upm s SER 114 CO -0.00 -0.23 0.30 0.72 1.20 0.00 0.00 173.24 175.23 1upm s PHE 115 N 2.84 -0.07 -0.10 3.44 -0.12 -0.70 -4.37 117.98 118.91 1upm s PHE 115 Ca -0.03 -0.18 -0.30 0.00 -0.05 0.00 0.00 56.93 56.38 1upm s PHE 115 Cb -0.12 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1upm s PHE 115 CO -0.18 -0.55 1.06 -1.50 -0.05 0.00 0.00 175.22 174.00 1upm s ILE 116 N -3.11 4.64 -0.04 -4.49 1.10 -1.26 -1.40 121.20 116.64 1upm s ILE 116 Ca -0.01 1.92 0.12 0.00 -0.51 0.00 0.00 60.65 62.17 1upm s ILE 116 Cb 0.01 -4.24 -0.18 0.00 0.15 0.00 0.00 42.46 38.20 1upm s ILE 116 CO -0.07 -0.01 0.23 0.00 -2.11 0.00 0.00 174.94 172.98 1upm n ALA 117 N 5.13 2.32 -3.24 1.50 0.00 0.14 -4.93 120.51 121.43 1upm n ALA 117 Ca 0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1upm n ALA 117 Cb 0.48 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 1upm n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1upm s TYR 118 N -2.75 -0.33 -0.03 0.00 5.04 -0.87 -5.00 117.35 113.41 1upm s TYR 118 Ca -0.05 0.74 0.03 0.00 -2.44 0.00 0.00 57.07 55.36 1upm s TYR 118 Cb 0.07 0.12 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 1upm s TYR 118 CO 0.51 -0.25 -0.12 0.15 -1.34 0.00 0.00 175.55 174.50 1upm s LYS 119 N -0.28 1.26 1.25 4.97 1.02 -1.26 -1.70 119.74 125.00 1upm s LYS 119 Ca -0.04 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 1upm s LYS 119 Cb -0.03 -1.14 0.30 0.00 -0.52 0.00 0.00 37.83 36.44 1upm s LYS 119 CO 0.02 0.19 1.08 -1.25 -0.92 0.00 0.00 175.35 174.47 1upm s PRO 120 N 0.06 -1.58 0.18 -1.68 0.04 -1.23 -4.87 135.00 125.92 1upm s PRO 120 Ca -0.02 -0.06 -0.33 0.00 0.04 0.00 0.00 61.00 60.63 1upm s PRO 120 Cb -0.09 -1.55 -0.13 0.00 0.04 0.00 0.00 34.50 32.76 1upm s PRO 120 CO 0.01 -3.95 1.63 0.00 0.04 0.00 0.00 177.00 174.73 1upm n ALA 121 N -4.93 1.90 -0.62 8.56 0.00 -1.26 -2.55 120.51 121.61 1upm n ALA 121 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1upm n ALA 121 Cb 0.60 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1upm n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upm n GLY 122 N 3.62 0.70 0.00 0.00 0.00 -1.26 -5.17 105.19 103.08 1upm n GLY 122 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1upm n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60