#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 3.41 -0.21 2.12 0.74 -1.26 -5.09 119.66 119.37 1upm s GLN 2 Ca 0.00 -0.23 -0.15 0.00 0.05 0.00 0.00 55.36 55.03 1upm s GLN 2 Cb 0.00 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 1upm s GLN 2 CO 0.00 0.69 0.36 0.08 -0.55 0.00 0.00 175.29 175.87 1upm s VAL 3 N -0.79 5.22 -0.10 1.34 1.01 -1.26 -5.03 120.40 120.78 1upm s VAL 3 Ca 0.13 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1upm s VAL 3 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1upm s VAL 3 CO 0.03 0.26 1.51 0.86 0.00 0.00 0.00 175.10 177.76 1upm s TRP 4 N 1.33 2.29 1.14 5.22 -0.11 -1.26 -4.96 118.94 122.59 1upm s TRP 4 Ca 0.17 0.50 -0.15 0.00 1.22 0.00 0.00 56.10 57.84 1upm s TRP 4 Cb -0.15 -3.78 0.21 0.00 -1.50 0.00 0.00 33.47 28.25 1upm s TRP 4 CO 0.08 -3.05 0.60 -2.30 -4.62 0.00 0.00 176.95 167.66 1upm n PRO 5 N 6.98 -2.03 0.00 5.86 -0.02 -1.26 -4.99 135.00 139.55 1upm n PRO 5 Ca 0.16 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 1upm n PRO 5 Cb 0.44 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 -4.71 0.00 -4.23 4.25 0.13 -1.26 -4.95 119.36 108.59 1upm n ILE 6 Ca 0.02 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.33 1upm n ILE 6 Cb 0.57 -0.60 -0.10 0.00 -0.84 0.00 0.00 39.64 38.67 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 -3.05 3.62 -1.28 9.51 1.02 -1.26 -4.38 118.68 122.86 1upm s LEU 7 Ca 0.00 0.07 -0.05 0.00 0.02 0.00 0.00 54.13 54.17 1upm s LEU 7 Cb 0.00 -1.87 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 1upm s LEU 7 CO 0.00 0.26 0.66 0.59 0.02 0.00 0.00 176.35 177.88 1upm n ASN 8 N 2.94 -2.20 -1.96 2.29 5.03 -1.26 -4.89 115.26 115.21 1upm n ASN 8 Ca -0.18 -0.91 -0.09 0.00 0.87 0.00 0.00 54.58 54.28 1upm n ASN 8 Cb 0.53 -3.72 0.06 0.00 -1.02 0.00 0.00 39.78 35.63 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 -4.22 3.17 -4.78 3.41 7.99 -1.26 -5.06 117.00 116.24 1upm n LEU 9 Ca -0.24 -3.82 -0.41 0.00 -0.01 0.00 0.00 56.01 51.53 1upm n LEU 9 Cb 0.66 -0.10 -0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1upm n LEU 9 CO 0.69 1.51 1.14 -0.54 -1.51 0.00 0.00 177.39 178.68 1upm s LYS 10 N -3.21 4.10 0.38 3.23 -0.14 -1.26 -5.03 119.74 117.81 1upm s LYS 10 Ca 0.40 2.57 0.06 0.00 -1.36 0.00 0.00 55.97 57.64 1upm s LYS 10 Cb 0.38 -2.96 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 1upm s LYS 10 CO -0.02 -0.54 0.02 0.15 -0.76 0.00 0.00 175.35 174.19 1upm s LYS 11 N -2.10 1.85 -0.13 1.68 -0.14 -1.26 -5.09 119.74 114.54 1upm s LYS 11 Ca 0.53 -2.03 0.21 0.00 -1.36 0.00 0.00 55.97 53.31 1upm s LYS 11 Cb -0.46 -1.40 0.45 0.00 -1.68 0.00 0.00 37.83 34.74 1upm s LYS 11 CO 0.63 -0.08 1.16 0.66 -0.76 0.00 0.00 175.35 176.97 1upm n TYR 12 N -0.86 0.62 -4.78 3.18 4.02 -1.26 -5.10 117.16 112.97 1upm n TYR 12 Ca -0.04 -1.28 0.00 0.00 -0.01 0.00 0.00 57.90 56.56 1upm n TYR 12 Cb 0.67 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.18 0.00 -1.66 -0.72 -0.58 -1.26 -4.58 120.64 111.66 1upm n GLU 13 Ca 0.12 0.00 -0.53 0.00 -0.42 0.00 0.00 57.16 56.33 1upm n GLU 13 Cb 0.96 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.77 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 0.21 -0.09 2.62 -1.04 -1.26 -1.70 114.28 113.02 1upm n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1upm n THR 14 Cb 0.00 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 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 4.38 0.00 0.00 -4.42 4.77 -1.26 -4.61 117.00 115.86 1upm n LEU 15 Ca 0.22 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.35 1upm n LEU 15 Cb 0.19 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.02 1upm n LEU 15 CO 0.71 0.00 1.01 -1.54 -1.33 0.00 0.00 177.39 176.24 1upm n SER 16 N 0.00 0.00 -0.40 -1.43 3.41 -0.69 -1.88 113.62 112.64 1upm n SER 16 Ca 0.00 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1upm n SER 16 Cb 0.00 -0.32 0.43 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.32 0.00 -2.56 7.33 4.02 -1.26 -4.84 117.16 118.53 1upm n TYR 17 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.78 1upm n TYR 17 Cb 0.26 -0.05 0.04 0.00 -0.02 0.00 0.00 39.34 39.56 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 -2.23 3.22 0.76 7.72 1.43 -0.79 -5.08 118.68 123.71 1upm s LEU 18 Ca 0.31 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.53 1upm s LEU 18 Cb 0.20 -3.08 0.05 0.00 0.03 0.00 0.00 46.19 43.39 1upm s LEU 18 CO 0.42 -1.16 1.22 -2.84 0.23 0.00 0.00 176.35 174.22 1upm s PRO 19 N -4.88 1.93 0.10 1.29 0.02 -1.26 -4.88 135.00 127.32 1upm s PRO 19 Ca 0.56 1.80 -0.36 0.00 0.02 0.00 0.00 61.00 63.02 1upm s PRO 19 Cb -0.10 -1.80 -0.16 0.00 0.02 0.00 0.00 34.50 32.45 1upm s PRO 19 CO 0.41 -2.00 1.42 -2.30 -0.33 0.00 0.00 177.00 174.19 1upm n PRO 20 N -2.91 1.44 -1.67 5.54 -0.02 -1.26 -4.85 135.00 131.28 1upm n PRO 20 Ca 0.14 0.52 -0.48 0.00 -2.02 0.00 0.00 63.50 61.66 1upm n PRO 20 Cb 0.50 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.83 2.98 -4.70 2.45 4.77 -1.26 -5.00 117.00 119.07 1upm n LEU 21 Ca 0.18 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.93 1upm n LEU 21 Cb 0.22 -1.36 0.17 0.00 -2.33 0.00 0.00 43.42 40.11 1upm n LEU 21 CO 0.63 -0.32 0.66 0.42 -1.33 0.00 0.00 177.39 177.44 1upm s THR 22 N 1.98 2.07 0.24 -5.08 -4.23 -1.26 -4.81 115.64 104.54 1upm s THR 22 Ca 0.85 0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 1upm s THR 22 Cb -0.74 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 70.77 1upm s THR 22 CO 0.45 -0.03 1.90 0.71 -0.54 0.00 0.00 174.62 177.11 1upm h THR 23 N -1.81 1.26 -0.81 3.99 1.35 -1.99 -0.60 112.91 114.28 1upm h THR 23 Ca -0.54 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 1upm h THR 23 Cb 1.33 -0.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.60 1upm h THR 23 CO 0.58 0.27 0.35 0.44 -0.25 0.00 0.00 175.52 176.92 1upm h ASP 24 N 1.32 1.10 -0.53 5.36 3.32 -1.99 -1.25 116.42 123.75 1upm h ASP 24 Ca 0.35 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1upm h ASP 24 Cb -0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 1upm h ASP 24 CO -0.07 0.95 0.02 1.56 -1.72 0.00 0.00 179.24 179.98 1upm h GLN 25 N 1.17 0.93 -0.07 3.56 4.20 -1.73 -1.90 115.11 121.26 1upm h GLN 25 Ca 0.27 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1upm h GLN 25 Cb 0.17 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1upm h GLN 25 CO -0.03 0.93 -0.06 1.25 -0.67 0.00 0.00 178.83 180.25 1upm h LEU 26 N 0.81 -0.20 -0.85 1.46 5.85 -1.01 -2.27 115.31 119.09 1upm h LEU 26 Ca 0.15 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.07 1upm h LEU 26 Cb 0.50 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 1upm h LEU 26 CO 0.02 -0.09 0.43 0.00 -0.34 0.00 0.00 178.44 178.46 1upm h ALA 27 N 0.98 1.28 -0.02 1.25 0.00 -1.03 -1.97 119.26 119.77 1upm h ALA 27 Ca 0.05 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 27 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1upm h ALA 27 CO -0.12 -0.12 -0.65 0.00 0.00 0.00 0.00 179.25 178.36 1upm h ARG 28 N 0.59 0.07 -0.64 0.00 3.08 -0.95 -0.55 114.38 115.98 1upm h ARG 28 Ca 0.47 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.40 1upm h ARG 28 Cb 0.69 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1upm h ARG 28 CO -0.38 0.69 0.14 1.96 -1.07 0.00 0.00 179.97 181.31 1upm h GLN 29 N 0.05 1.04 -0.49 0.04 1.08 -0.82 -1.70 115.11 114.31 1upm h GLN 29 Ca -0.01 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1upm h GLN 29 Cb 1.15 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 1upm h GLN 29 CO 0.09 0.95 0.29 0.28 -0.95 0.00 0.00 178.83 179.49 1upm h VAL 30 N 0.96 1.15 -0.62 -0.54 2.07 -1.06 -2.13 116.25 116.07 1upm h VAL 30 Ca 0.20 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1upm h VAL 30 Cb 0.39 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1upm h VAL 30 CO 0.01 0.15 0.30 0.44 0.02 0.00 0.00 177.57 178.49 1upm h ASP 31 N 0.65 0.41 -0.80 0.57 3.32 -1.01 -1.16 116.42 118.39 1upm h ASP 31 Ca 0.17 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1upm h ASP 31 Cb -0.01 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1upm h ASP 31 CO -0.03 0.26 0.47 0.22 -1.72 0.00 0.00 179.24 178.44 1upm h TYR 32 N 0.55 1.07 -0.03 4.55 3.20 -1.12 0.42 116.97 125.62 1upm h TYR 32 Ca 0.29 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1upm h TYR 32 Cb 0.26 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1upm h TYR 32 CO -0.11 0.72 0.01 1.25 -1.64 0.00 0.00 178.16 178.39 1upm h LEU 33 N 1.10 0.04 -0.97 2.82 5.85 -0.83 -2.64 115.31 120.69 1upm h LEU 33 Ca 0.29 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1upm h LEU 33 Cb -0.03 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1upm h LEU 33 CO -0.05 0.24 0.07 -0.07 -0.34 0.00 0.00 178.44 178.29 1upm h LEU 34 N -0.16 0.78 -1.56 2.25 3.38 -1.01 -2.86 115.31 116.13 1upm h LEU 34 Ca 0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1upm h LEU 34 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1upm h LEU 34 CO -0.00 0.80 -0.20 0.78 0.09 0.00 0.00 178.44 179.91 1upm h ASN 35 N 0.78 0.00 -0.09 -0.43 2.35 -0.07 0.25 115.58 118.37 1upm h ASN 35 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1upm h ASN 35 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1upm h ASN 35 CO 0.01 0.20 0.00 0.59 -1.65 0.00 0.00 177.43 176.58 1upm n ASN 36 N -3.63 1.29 -2.28 5.81 3.02 -1.00 -4.94 115.26 113.53 1upm n ASN 36 Ca -0.01 -1.57 -0.15 0.00 -0.03 0.00 0.00 54.58 52.82 1upm n ASN 36 Cb 0.33 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.05 -4.19 -3.58 3.52 5.02 0.08 -5.01 118.16 114.04 1upm n LYS 37 Ca 0.17 0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 1upm n LYS 37 Cb 0.29 -4.77 -0.04 0.00 -0.02 0.00 0.00 35.03 30.49 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 -3.08 3.47 -0.21 2.13 0.51 -1.10 -4.95 118.94 115.71 1upm s TRP 38 Ca 0.29 0.56 -0.22 0.00 -2.12 0.00 0.00 56.10 54.60 1upm s TRP 38 Cb -0.13 -2.02 -0.02 0.00 -0.81 0.00 0.00 33.47 30.50 1upm s TRP 38 CO 0.36 0.35 0.70 0.08 -0.51 0.00 0.00 176.95 177.93 1upm s VAL 39 N -1.81 4.95 0.36 4.03 1.01 -0.24 -4.63 120.40 124.07 1upm s VAL 39 Ca 0.42 1.33 -0.25 0.00 0.00 0.00 0.00 61.98 63.47 1upm s VAL 39 Cb -0.11 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1upm s VAL 39 CO 0.26 0.05 1.00 -2.16 0.00 0.00 0.00 175.10 174.25 1upm s PRO 40 N 2.24 4.37 -0.03 2.72 0.04 -1.26 -0.42 135.00 142.66 1upm s PRO 40 Ca 0.31 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1upm s PRO 40 Cb -0.16 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.74 1upm s PRO 40 CO 0.10 0.06 0.22 0.00 0.04 0.00 0.00 177.00 177.42 1upm s LEU 42 N -0.90 3.95 0.03 0.00 1.02 -1.26 -0.97 118.68 120.55 1upm s LEU 42 Ca -0.10 0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.27 1upm s LEU 42 Cb -0.05 -2.24 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 1upm s LEU 42 CO 0.02 0.29 -0.10 -1.61 0.02 0.00 0.00 176.35 174.98 1upm s GLU 43 N -1.62 0.66 0.09 1.70 2.02 -0.77 -1.42 118.70 119.38 1upm s GLU 43 Ca 0.22 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 1upm s GLU 43 Cb -0.12 -0.58 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 1upm s GLU 43 CO 0.12 0.14 0.00 -0.59 0.02 0.00 0.00 175.26 174.96 1upm s PHE 44 N -0.88 0.72 -0.27 1.61 -0.71 -0.23 -1.25 117.98 116.97 1upm s PHE 44 Ca -0.03 -1.12 -0.16 0.00 -1.04 0.00 0.00 56.93 54.58 1upm s PHE 44 Cb -0.07 -0.45 0.08 0.00 -1.21 0.00 0.00 43.02 41.36 1upm s PHE 44 CO 0.01 -0.41 0.66 -2.00 -1.34 0.00 0.00 175.22 172.13 1upm s GLU 45 N -3.97 0.68 -0.12 1.99 2.56 -0.46 -1.18 118.70 118.20 1upm s GLU 45 Ca 0.15 1.16 0.12 0.00 0.00 0.00 0.00 54.97 56.41 1upm s GLU 45 Cb 0.08 0.14 -0.17 0.00 2.00 0.00 0.00 34.13 36.17 1upm s GLU 45 CO -0.04 -0.15 0.08 0.25 -0.56 0.00 0.00 175.26 174.84 1upm n THR 46 N 4.22 0.82 -0.12 -1.70 -2.24 -1.26 -0.66 114.28 113.34 1upm n THR 46 Ca -0.20 -0.55 -0.26 0.00 -2.27 0.00 0.00 64.05 60.78 1upm n THR 46 Cb 0.58 -0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.45 1.82 -3.98 3.42 8.00 -1.26 -4.74 116.55 117.36 1upm n ASP 47 Ca -0.20 0.31 -0.31 0.00 0.71 0.00 0.00 54.79 55.30 1upm n ASP 47 Cb 0.88 -0.75 -0.11 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.51 3.53 0.47 1.24 3.76 -1.26 -4.94 115.29 115.57 1upm s HIS 48 Ca -0.35 -3.15 0.14 0.00 -0.15 0.00 0.00 55.06 51.54 1upm s HIS 48 Cb 0.13 -2.92 1.09 0.00 1.11 0.00 0.00 32.58 32.00 1upm s HIS 48 CO 0.45 -0.67 2.06 0.78 -0.85 0.00 0.00 174.74 176.51 1upm h GLY 49 N 6.01 0.32 -1.79 -2.22 0.00 -1.88 -3.44 103.07 100.06 1upm h GLY 49 Ca 0.07 -0.11 -0.62 0.00 0.00 0.00 0.00 47.33 46.67 1upm h GLY 49 CO 0.74 0.09 -0.63 -1.36 0.00 0.00 0.00 176.54 175.38 1upm s PHE 50 N -5.28 2.45 0.39 5.60 0.08 -1.26 -5.12 117.98 114.84 1upm s PHE 50 Ca -0.07 -0.61 -0.24 0.00 0.12 0.00 0.00 56.93 56.14 1upm s PHE 50 Cb 0.18 -1.60 -0.10 0.00 -0.57 0.00 0.00 43.02 40.94 1upm s PHE 50 CO 0.71 0.49 0.99 0.54 -0.10 0.00 0.00 175.22 177.85 1upm s VAL 51 N -2.69 4.06 0.31 -0.44 0.11 -1.26 -4.75 120.40 115.74 1upm s VAL 51 Ca 0.34 1.52 -0.13 0.00 -2.93 0.00 0.00 61.98 60.78 1upm s VAL 51 Cb 0.07 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 1upm s VAL 51 CO 0.17 -0.05 0.61 -0.72 -3.33 0.00 0.00 175.10 171.79 1upm s TYR 52 N -1.80 0.31 -0.50 1.54 1.13 -0.55 -5.00 117.35 112.49 1upm s TYR 52 Ca 0.57 -0.76 0.04 0.00 -1.41 0.00 0.00 57.07 55.51 1upm s TYR 52 Cb -0.17 0.43 0.16 0.00 -1.10 0.00 0.00 41.96 41.28 1upm s TYR 52 CO 0.22 -1.23 0.36 1.03 -2.51 0.00 0.00 175.55 173.42 1upm s ARG 53 N -3.35 1.39 -0.23 -3.49 0.52 -1.26 0.20 118.95 112.72 1upm s ARG 53 Ca 0.20 -2.40 -0.18 0.00 -0.52 0.00 0.00 55.73 52.82 1upm s ARG 53 Cb -0.03 -2.12 -0.17 0.00 0.52 0.00 0.00 34.95 33.15 1upm s ARG 53 CO 0.11 -1.31 -0.00 -1.91 0.02 0.00 0.00 175.30 172.21 1upm n GLU 54 N 2.77 0.58 0.01 3.54 2.13 -1.26 -4.68 120.64 123.74 1upm n GLU 54 Ca 0.23 0.45 0.11 0.00 0.66 0.00 0.00 57.16 58.60 1upm n GLU 54 Cb 0.41 -1.65 0.03 0.00 0.27 0.00 0.00 31.44 30.51 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 -4.32 0.15 -3.81 4.31 8.25 -1.26 -4.99 115.22 113.55 1upm n HIS 55 Ca -0.41 0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.04 1upm n HIS 55 Cb 0.77 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 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 -3.13 -0.15 0.00 4.41 2.46 -1.26 -5.09 115.29 112.54 1upm s HIS 56 Ca 0.06 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1upm s HIS 56 Cb 0.15 0.68 0.00 0.00 -0.13 0.00 0.00 32.58 33.29 1upm s HIS 56 CO 0.80 -1.06 0.09 0.09 -2.47 0.00 0.00 174.74 172.19 1upm n ASN 57 N -0.51 0.00 -4.75 9.88 3.02 -1.26 -4.83 115.26 116.80 1upm n ASN 57 Ca -0.05 -1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.20 1upm n ASN 57 Cb 0.60 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.89 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 3.83 -0.07 6.41 1.04 -1.26 -4.89 113.70 118.76 1upm s SER 58 Ca 0.00 1.36 -0.38 0.00 0.48 0.00 0.00 55.95 57.41 1upm s SER 58 Cb 0.00 -2.05 -0.16 0.00 0.10 0.00 0.00 66.02 63.91 1upm s SER 58 CO 0.00 -2.40 1.53 -2.65 0.98 0.00 0.00 173.24 170.71 1upm n PRO 59 N -3.71 1.22 -0.64 4.02 -0.02 -1.26 -2.05 135.00 132.56 1upm n PRO 59 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1upm n PRO 59 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 3.30 1.24 3.68 -1.23 0.00 -1.26 -5.01 105.19 105.91 1upm n GLY 60 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.45 3.38 0.02 1.61 6.14 -0.87 -5.08 117.35 119.09 1upm s TYR 61 Ca 0.00 0.57 0.01 0.00 0.64 0.00 0.00 57.07 58.29 1upm s TYR 61 Cb 0.00 -2.48 -0.01 0.00 0.42 0.00 0.00 41.96 39.89 1upm s TYR 61 CO 0.00 0.03 -0.04 0.71 0.64 0.00 0.00 175.55 176.89 1upm s TYR 62 N 1.18 0.33 0.53 4.97 2.02 -1.26 -4.74 117.35 120.37 1upm s TYR 62 Ca 0.17 -0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 1upm s TYR 62 Cb -0.14 -0.21 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 1upm s TYR 62 CO 0.07 -0.08 0.83 -0.51 -1.57 0.00 0.00 175.55 174.29 1upm s ASP 63 N -0.84 5.92 0.00 2.29 1.01 0.13 -4.51 116.67 120.66 1upm s ASP 63 Ca -0.07 0.77 0.00 0.00 0.71 0.00 0.00 52.55 53.96 1upm s ASP 63 Cb -0.06 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.94 1upm s ASP 63 CO -0.00 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.18 1upm n GLY 64 N -2.39 0.71 0.13 0.21 0.00 -1.26 -1.49 105.19 101.11 1upm n GLY 64 Ca 0.02 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 4.04 0.39 -6.50 1.61 3.08 -1.92 -3.42 114.38 111.65 1upm h ARG 65 Ca 0.00 -0.67 -0.53 0.00 0.07 0.00 0.00 59.98 58.85 1upm h ARG 65 Cb 0.00 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1upm h ARG 65 CO 0.00 1.32 0.48 0.71 -1.07 0.00 0.00 179.97 181.41 1upm s TYR 66 N -2.52 3.56 0.32 3.04 2.02 -1.26 -5.05 117.35 117.45 1upm s TYR 66 Ca -0.14 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.10 1upm s TYR 66 Cb 0.03 -3.28 0.03 0.00 -0.40 0.00 0.00 41.96 38.34 1upm s TYR 66 CO 0.86 -0.69 0.27 0.91 -1.57 0.00 0.00 175.55 175.34 1upm n TRP 67 N 3.54 -1.25 -4.17 2.71 7.02 -1.26 -5.10 117.44 118.93 1upm n TRP 67 Ca 0.06 -1.32 -0.35 0.00 -1.02 0.00 0.00 57.50 54.87 1upm n TRP 67 Cb 0.48 -0.27 -0.09 0.00 -2.42 0.00 0.00 31.31 29.01 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 -1.48 4.71 0.08 -0.99 -1.32 -0.33 -4.90 115.64 111.41 1upm s THR 68 Ca 0.21 -0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.29 1upm s THR 68 Cb -0.02 -3.03 -0.07 0.00 -1.51 0.00 0.00 72.50 67.87 1upm s THR 68 CO 0.13 0.57 1.36 -0.32 -2.21 0.00 0.00 174.62 174.15 1upm s MET 69 N -0.61 4.33 -0.40 7.08 1.75 -1.26 -1.07 119.30 129.12 1upm s MET 69 Ca 0.11 1.99 -0.26 0.00 -1.25 0.00 0.00 55.69 56.29 1upm s MET 69 Cb -0.12 -3.34 0.02 0.00 2.84 0.00 0.00 34.83 34.23 1upm s MET 69 CO 0.02 -0.43 0.92 -0.46 -0.65 0.00 0.00 175.02 174.42 1upm s TRP 70 N 1.39 3.03 0.00 4.11 -0.11 -0.50 -4.90 118.94 121.95 1upm s TRP 70 Ca 0.63 0.63 0.00 0.00 1.22 0.00 0.00 56.10 58.58 1upm s TRP 70 Cb -0.34 -3.74 0.00 0.00 -1.50 0.00 0.00 33.47 27.89 1upm s TRP 70 CO 0.29 -0.91 0.00 1.63 -4.62 0.00 0.00 176.95 173.34 1upm n LYS 71 N 6.89 0.00 -4.36 5.86 5.02 -1.26 -4.51 118.16 125.80 1upm n LYS 71 Ca 0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 1upm n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 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 2.40 0.35 -0.35 1.43 -1.26 -5.10 118.68 116.15 1upm s LEU 72 Ca 0.00 -1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 51.69 1upm s LEU 72 Cb 0.00 -0.48 -0.12 0.00 0.03 0.00 0.00 46.19 45.62 1upm s LEU 72 CO 0.00 -0.37 1.08 -2.65 0.23 0.00 0.00 176.35 174.64 1upm n PRO 73 N -0.44 1.55 -2.35 1.29 -0.02 -1.26 -4.79 135.00 128.98 1upm n PRO 73 Ca -0.06 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1upm n PRO 73 Cb 0.63 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.86 -1.75 -0.52 2.81 -0.35 -4.99 117.12 116.68 1upm n MET 74 Ca 0.08 -3.63 -0.42 0.00 -1.81 0.00 0.00 57.70 51.93 1upm n MET 74 Cb 0.35 -2.84 -0.01 0.00 -0.71 0.00 0.00 33.22 30.02 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 3.27 2.81 -0.92 2.03 3.72 -1.26 -1.96 117.46 125.15 1upm n PHE 75 Ca 0.42 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 58.21 1upm n PHE 75 Cb 0.34 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.35 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 1.13 0.68 3.74 1.37 0.00 -1.26 -5.01 105.19 105.84 1upm n GLY 76 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 2.71 0.00 -4.04 0.00 -2.24 -1.26 -5.00 114.28 104.46 1upm n THR 78 Ca 0.08 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1upm n THR 78 Cb 0.40 1.38 -0.15 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.06 4.10 0.56 3.42 -1.08 -1.26 -5.00 116.67 117.35 1upm s ASP 79 Ca 0.00 -1.04 0.26 0.00 -0.52 0.00 0.00 52.55 51.25 1upm s ASP 79 Cb 0.00 -1.58 1.54 0.00 -1.46 0.00 0.00 42.92 41.43 1upm s ASP 79 CO 0.00 -0.13 2.11 1.55 0.52 0.00 0.00 175.17 179.22 1upm h PRO 80 N 7.90 0.00 -0.22 4.34 0.13 -1.96 -1.43 132.00 140.76 1upm h PRO 80 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1upm h PRO 80 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1upm h PRO 80 CO 0.55 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.18 1upm h ALA 81 N 1.83 1.36 0.24 -0.56 0.00 -1.98 -1.94 119.26 118.20 1upm h ALA 81 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1upm h ALA 81 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1upm h ALA 81 CO -0.00 0.44 -0.14 1.96 0.00 0.00 0.00 179.25 181.51 1upm h GLN 82 N 0.34 -0.35 -0.21 0.00 4.20 -1.69 -0.05 115.11 117.36 1upm h GLN 82 Ca 0.07 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1upm h GLN 82 Cb 0.45 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 1upm h GLN 82 CO 0.03 -0.23 -0.22 0.28 -0.67 0.00 0.00 178.83 178.02 1upm h VAL 83 N -0.36 0.44 -0.27 -0.54 2.07 -1.59 0.31 116.25 116.32 1upm h VAL 83 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1upm h VAL 83 Cb 0.29 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1upm h VAL 83 CO 0.03 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.58 1upm h LEU 84 N -0.24 0.36 -0.26 2.57 3.38 -1.32 -1.51 115.31 118.30 1upm h LEU 84 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1upm h LEU 84 Cb 0.43 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1upm h LEU 84 CO -0.35 0.40 0.03 -1.13 0.09 0.00 0.00 178.44 177.48 1upm h ASN 85 N 0.39 0.42 -0.87 -0.43 -0.73 -0.37 -2.15 115.58 111.84 1upm h ASN 85 Ca 0.09 -0.28 -0.00 0.00 1.87 0.00 0.00 56.30 57.98 1upm h ASN 85 Cb 0.21 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.65 1upm h ASN 85 CO 0.00 0.59 0.54 -0.33 -0.37 0.00 0.00 177.43 177.86 1upm h GLU 86 N 0.23 1.18 -1.00 6.67 4.39 -0.55 -0.67 114.58 124.82 1upm h GLU 86 Ca 0.08 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1upm h GLU 86 Cb 0.36 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1upm h GLU 86 CO 0.01 0.81 0.66 1.25 -1.16 0.00 0.00 179.01 180.58 1upm h LEU 87 N 1.20 1.12 -0.97 1.33 5.85 -1.20 0.25 115.31 122.89 1upm h LEU 87 Ca 0.32 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1upm h LEU 87 Cb -0.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1upm h LEU 87 CO -0.06 0.78 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.23 1upm h GLU 88 N 1.30 0.44 -0.18 1.25 4.39 -0.69 -1.25 114.58 119.84 1upm h GLU 88 Ca 0.38 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 1upm h GLU 88 Cb -0.07 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1upm h GLU 88 CO -0.11 0.67 -0.21 1.49 -1.16 0.00 0.00 179.01 179.69 1upm h GLU 89 N 0.39 0.46 -0.32 2.33 4.81 0.08 -2.33 114.58 119.99 1upm h GLU 89 Ca 0.06 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1upm h GLU 89 Cb 0.66 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1upm h GLU 89 CO 0.05 0.83 0.15 0.00 -0.73 0.00 0.00 179.01 179.31 1upm h LYS 91 N 0.31 0.94 -0.44 0.00 1.57 -1.20 0.12 116.57 117.88 1upm h LYS 91 Ca 0.13 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1upm h LYS 91 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1upm h LYS 91 CO -0.10 0.62 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.95 1upm h LYS 92 N 0.97 0.90 0.04 3.15 3.64 -1.17 -2.33 116.57 121.78 1upm h LYS 92 Ca 0.40 -0.38 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1upm h LYS 92 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1upm h LYS 92 CO -0.19 1.04 -1.02 1.49 -2.27 0.00 0.00 179.45 178.50 1upm h GLU 93 N 0.78 0.17 -2.08 1.90 4.81 -1.11 -3.39 114.58 115.66 1upm h GLU 93 Ca 0.10 -0.23 -0.58 0.00 -0.13 0.00 0.00 59.36 58.52 1upm h GLU 93 Cb 0.78 0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.84 1upm h GLU 93 CO 0.06 1.04 -0.90 0.66 -0.73 0.00 0.00 179.01 179.15 1upm n TYR 94 N -3.54 1.25 0.42 0.92 4.01 0.40 -4.92 117.16 115.69 1upm n TYR 94 Ca -0.04 -3.80 0.12 0.00 -0.16 0.00 0.00 57.90 54.02 1upm n TYR 94 Cb 0.90 -0.43 0.48 0.00 -0.31 0.00 0.00 39.34 39.98 1upm n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1upm n PRO 95 N 1.18 0.18 -0.14 -0.72 -0.04 -0.89 -2.02 135.00 132.56 1upm n PRO 95 Ca 0.25 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1upm n PRO 95 Cb 0.48 -1.84 0.22 0.00 -0.04 0.00 0.00 33.50 32.32 1upm n PRO 95 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1upm n ASN 96 N -2.19 3.16 -4.87 3.54 6.94 -1.26 -4.53 115.26 116.05 1upm n ASN 96 Ca 0.02 -1.96 -0.23 0.00 -0.02 0.00 0.00 54.58 52.39 1upm n ASN 96 Cb 0.24 -0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.62 3.71 0.13 -2.53 0.00 -0.86 -4.74 121.76 115.85 1upm s ALA 97 Ca 0.36 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1upm s ALA 97 Cb 0.22 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.79 1upm s ALA 97 CO 0.31 0.35 0.90 -0.06 0.00 0.00 0.00 175.76 177.26 1upm s PHE 98 N -1.95 3.84 -0.09 0.00 0.08 0.17 -3.60 117.98 116.43 1upm s PHE 98 Ca 0.33 1.75 0.01 0.00 0.12 0.00 0.00 56.93 59.14 1upm s PHE 98 Cb -0.09 -2.97 0.02 0.00 -0.57 0.00 0.00 43.02 39.41 1upm s PHE 98 CO 0.26 0.30 -0.13 0.42 -0.10 0.00 0.00 175.22 175.98 1upm s ILE 99 N -0.37 1.27 0.21 0.64 1.01 -0.72 -1.36 121.20 121.88 1upm s ILE 99 Ca 0.43 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.68 1upm s ILE 99 Cb -0.23 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1upm s ILE 99 CO 0.29 0.39 -0.23 0.00 0.00 0.00 0.00 174.94 175.39 1upm s ARG 100 N 1.03 1.56 -0.13 2.79 1.70 -0.38 -0.68 118.95 124.84 1upm s ARG 100 Ca -0.07 -1.57 -0.04 0.00 -0.47 0.00 0.00 55.73 53.59 1upm s ARG 100 Cb -0.15 -1.84 -0.03 0.00 -0.57 0.00 0.00 34.95 32.36 1upm s ARG 100 CO -0.01 0.39 0.00 0.42 -1.08 0.00 0.00 175.30 175.02 1upm s ILE 101 N -1.83 4.29 0.21 4.99 1.01 -0.57 -1.84 121.20 127.46 1upm s ILE 101 Ca 0.23 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.72 1upm s ILE 101 Cb -0.07 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1upm s ILE 101 CO 0.11 0.53 -0.13 0.27 0.00 0.00 0.00 174.94 175.73 1upm s ILE 102 N -0.17 1.66 -0.04 2.92 -4.36 -0.14 -1.95 121.20 119.12 1upm s ILE 102 Ca 0.05 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.26 1upm s ILE 102 Cb -0.13 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.52 1upm s ILE 102 CO 0.02 -0.57 -0.05 -0.83 0.24 0.00 0.00 174.94 173.75 1upm s GLY 103 N -3.32 0.47 -0.07 6.27 0.00 -0.60 -1.06 107.32 109.01 1upm s GLY 103 Ca 0.23 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 1upm s GLY 103 CO 0.07 0.36 0.25 -1.36 0.00 0.00 0.00 173.10 172.42 1upm s PHE 104 N 0.81 3.65 -0.34 1.90 0.08 0.44 -0.93 117.98 123.59 1upm s PHE 104 Ca -0.11 0.72 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 1upm s PHE 104 Cb -0.14 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1upm s PHE 104 CO 0.01 0.70 0.19 0.34 -0.10 0.00 0.00 175.22 176.35 1upm s ASP 105 N -1.04 5.69 0.39 1.36 -1.08 -0.79 -1.08 116.67 120.12 1upm s ASP 105 Ca 0.19 -0.67 0.25 0.00 -0.52 0.00 0.00 52.55 51.80 1upm s ASP 105 Cb -0.14 -2.03 0.64 0.00 -1.46 0.00 0.00 42.92 39.93 1upm s ASP 105 CO 0.08 -0.27 1.71 0.77 0.52 0.00 0.00 175.17 177.98 1upm h SER 106 N 8.40 0.00 0.01 -0.34 4.64 -1.92 0.33 113.55 124.68 1upm h SER 106 Ca -0.30 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.83 1upm h SER 106 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1upm h SER 106 CO 0.64 0.00 -0.70 0.78 -0.87 0.00 0.00 176.83 176.68 1upm h ASN 107 N 0.00 0.73 0.39 4.97 2.35 -1.96 -3.27 115.58 118.79 1upm h ASN 107 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1upm h ASN 107 Cb 0.83 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1upm h ASN 107 CO 0.00 1.22 -1.25 0.54 -1.65 0.00 0.00 177.43 176.29 1upm n ARG 108 N -3.91 0.41 -3.68 0.81 1.74 -1.11 -4.99 116.66 105.92 1upm n ARG 108 Ca -0.05 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 1upm n ARG 108 Cb 0.69 -1.61 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 -2.12 -2.01 -3.82 5.56 2.13 0.12 -5.02 120.64 115.48 1upm n GLU 109 Ca 0.00 0.50 -0.13 0.00 0.66 0.00 0.00 57.16 58.20 1upm n GLU 109 Cb 0.48 -4.43 -0.14 0.00 0.27 0.00 0.00 31.44 27.62 1upm n GLU 109 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1upm s VAL 110 N -3.55 -0.02 -0.03 6.31 -7.23 -1.13 -5.01 120.40 109.74 1upm s VAL 110 Ca 0.36 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 1upm s VAL 110 Cb -0.12 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 1upm s VAL 110 CO 0.85 0.02 1.35 -1.10 -0.31 0.00 0.00 175.10 175.92 1upm s GLN 111 N 0.38 4.29 -0.00 4.82 -0.21 -1.26 -1.88 119.66 125.79 1upm s GLN 111 Ca -0.03 1.88 0.21 0.00 0.02 0.00 0.00 55.36 57.44 1upm s GLN 111 Cb -0.04 -3.61 -0.24 0.00 1.00 0.00 0.00 33.01 30.12 1upm s GLN 111 CO -0.01 -0.57 0.82 0.00 -2.12 0.00 0.00 175.29 173.40 1upm s ILE 113 N -3.03 0.73 -0.30 0.00 -1.09 -1.19 -4.95 121.20 111.37 1upm s ILE 113 Ca 0.06 -0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 58.00 1upm s ILE 113 Cb 0.15 -0.64 0.12 0.00 -1.58 0.00 0.00 42.46 40.51 1upm s ILE 113 CO 0.86 0.22 0.66 -0.55 -1.23 0.00 0.00 174.94 174.90 1upm s SER 114 N 0.03 -1.10 0.03 3.58 0.15 -1.26 -1.56 113.70 113.57 1upm s SER 114 Ca -0.00 1.56 -0.19 0.00 0.70 0.00 0.00 55.95 58.01 1upm s SER 114 Cb -0.06 2.09 0.04 0.00 -1.71 0.00 0.00 66.02 66.37 1upm s SER 114 CO 0.00 -0.22 0.44 0.72 1.20 0.00 0.00 173.24 175.37 1upm s PHE 115 N 2.60 -0.31 -0.06 3.44 -0.12 -0.82 -4.37 117.98 118.33 1upm s PHE 115 Ca -0.07 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.86 1upm s PHE 115 Cb -0.10 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 1upm s PHE 115 CO -0.19 -0.56 1.14 -1.50 -0.05 0.00 0.00 175.22 174.05 1upm s ILE 116 N -2.20 4.41 -0.05 -4.49 1.10 -1.26 -1.52 121.20 117.19 1upm s ILE 116 Ca -0.07 1.72 0.12 0.00 -0.51 0.00 0.00 60.65 61.91 1upm s ILE 116 Cb -0.01 -4.10 -0.19 0.00 0.15 0.00 0.00 42.46 38.31 1upm s ILE 116 CO -0.00 0.02 0.28 0.00 -2.11 0.00 0.00 174.94 173.13 1upm n ALA 117 N 4.97 2.51 -3.30 1.50 0.00 0.15 -4.93 120.51 121.41 1upm n ALA 117 Ca 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1upm n ALA 117 Cb 0.47 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.80 -0.41 -0.02 0.00 5.04 -0.88 -5.00 117.35 113.28 1upm s TYR 118 Ca -0.04 0.94 0.04 0.00 -2.44 0.00 0.00 57.07 55.57 1upm s TYR 118 Cb 0.08 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.54 1upm s TYR 118 CO 0.50 -0.27 -0.12 0.15 -1.34 0.00 0.00 175.55 174.47 1upm s LYS 119 N -0.13 1.10 1.09 4.97 1.02 -1.26 -1.76 119.74 124.77 1upm s LYS 119 Ca -0.03 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.33 1upm s LYS 119 Cb -0.03 -1.04 0.27 0.00 -0.52 0.00 0.00 37.83 36.50 1upm s LYS 119 CO 0.02 0.24 1.10 -0.35 -0.92 0.00 0.00 175.35 175.43 1upm n PRO 120 N 2.92 -2.52 -1.70 -1.68 -0.04 -1.24 -4.89 135.00 125.85 1upm n PRO 120 Ca -0.15 -1.73 -0.43 0.00 -0.04 0.00 0.00 63.50 61.14 1upm n PRO 120 Cb 0.55 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1upm n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upm n ALA 121 N -4.50 2.45 -0.52 0.55 0.00 -1.26 -2.43 120.51 114.80 1upm n ALA 121 Ca -0.20 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1upm n ALA 121 Cb 0.55 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 3.95 0.74 0.00 0.00 0.00 -1.26 -5.17 105.19 103.45 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