#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 3.35 -0.21 2.12 0.74 -1.26 -5.08 119.66 119.31 1upm s GLN 2 Ca 0.00 -0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.08 1upm s GLN 2 Cb 0.00 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.96 1upm s GLN 2 CO 0.00 0.76 0.25 0.08 -0.55 0.00 0.00 175.29 175.82 1upm s VAL 3 N -1.03 5.31 -0.12 1.34 1.01 -1.26 -5.04 120.40 120.61 1upm s VAL 3 Ca 0.16 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 1upm s VAL 3 Cb -0.12 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1upm s VAL 3 CO 0.05 0.34 1.54 0.86 0.00 0.00 0.00 175.10 177.88 1upm s TRP 4 N 0.96 2.24 1.05 5.22 -0.11 -1.26 -4.96 118.94 122.08 1upm s TRP 4 Ca 0.12 0.50 -0.14 0.00 1.22 0.00 0.00 56.10 57.79 1upm s TRP 4 Cb -0.13 -3.82 0.13 0.00 -1.50 0.00 0.00 33.47 28.15 1upm s TRP 4 CO 0.05 -3.05 0.52 -2.30 -4.62 0.00 0.00 176.95 167.54 1upm n PRO 5 N 7.12 -1.25 0.00 5.86 -0.02 -1.26 -4.99 135.00 140.46 1upm n PRO 5 Ca 0.17 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1upm n PRO 5 Cb 0.44 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 -4.29 0.00 -4.07 4.25 0.13 -1.26 -4.93 119.36 109.19 1upm n ILE 6 Ca 0.05 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.35 1upm n ILE 6 Cb 0.56 -0.68 -0.09 0.00 -0.84 0.00 0.00 39.64 38.60 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 -3.43 3.85 -1.28 9.51 1.43 -1.26 -4.35 118.68 123.15 1upm s LEU 7 Ca 0.00 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1upm s LEU 7 Cb 0.00 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1upm s LEU 7 CO 0.00 0.26 0.66 0.59 0.23 0.00 0.00 176.35 178.09 1upm n ASN 8 N 2.99 -2.03 -2.03 2.29 5.03 -1.26 -4.89 115.26 115.36 1upm n ASN 8 Ca -0.18 -0.90 -0.12 0.00 0.87 0.00 0.00 54.58 54.26 1upm n ASN 8 Cb 0.53 -3.76 0.05 0.00 -1.02 0.00 0.00 39.78 35.58 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 -4.23 3.55 -4.76 3.41 7.99 -1.26 -5.06 117.00 116.64 1upm n LEU 9 Ca -0.25 -4.04 -0.41 0.00 -0.01 0.00 0.00 56.01 51.30 1upm n LEU 9 Cb 0.66 -0.13 -0.01 0.00 -0.11 0.00 0.00 43.42 43.83 1upm n LEU 9 CO 0.69 1.65 1.16 -0.54 -1.51 0.00 0.00 177.39 178.85 1upm s LYS 10 N -3.40 4.17 0.38 3.23 -0.14 -1.26 -5.02 119.74 117.69 1upm s LYS 10 Ca 0.42 2.48 0.08 0.00 -1.36 0.00 0.00 55.97 57.59 1upm s LYS 10 Cb 0.38 -3.04 -0.07 0.00 -1.68 0.00 0.00 37.83 33.42 1upm s LYS 10 CO -0.01 -0.52 -0.03 0.15 -0.76 0.00 0.00 175.35 174.19 1upm s LYS 11 N -0.94 1.87 -0.21 1.68 -0.14 -1.26 -5.09 119.74 115.65 1upm s LYS 11 Ca 0.59 -2.02 0.20 0.00 -1.36 0.00 0.00 55.97 53.37 1upm s LYS 11 Cb -0.45 -1.58 0.48 0.00 -1.68 0.00 0.00 37.83 34.59 1upm s LYS 11 CO 0.51 0.01 1.14 0.66 -0.76 0.00 0.00 175.35 176.91 1upm n TYR 12 N -0.87 1.23 -4.75 3.18 4.02 -1.26 -5.10 117.16 113.61 1upm n TYR 12 Ca -0.05 -1.80 0.00 0.00 -0.01 0.00 0.00 57.90 56.04 1upm n TYR 12 Cb 0.66 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.45 0.00 -1.66 -0.72 -0.58 -1.26 -4.57 120.64 111.40 1upm n GLU 13 Ca 0.15 0.00 -0.52 0.00 -0.42 0.00 0.00 57.16 56.37 1upm n GLU 13 Cb 0.89 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.70 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 0.19 -0.07 2.62 -1.04 -1.26 -1.68 114.28 113.04 1upm n THR 14 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1upm n THR 14 Cb 0.00 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 4.22 0.00 0.00 -4.42 4.77 -1.26 -4.61 117.00 115.70 1upm n LEU 15 Ca 0.21 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 1upm n LEU 15 Cb 0.21 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.80 1upm n LEU 15 CO 0.70 0.00 0.87 -1.54 -1.33 0.00 0.00 177.39 176.09 1upm n SER 16 N 0.00 0.02 -0.37 -1.43 3.41 -0.67 -2.10 113.62 112.48 1upm n SER 16 Ca 0.00 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1upm n SER 16 Cb 0.00 -0.51 0.55 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.52 0.07 -3.08 7.33 4.02 -1.26 -4.85 117.16 117.87 1upm n TYR 17 Ca 0.06 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.90 57.71 1upm n TYR 17 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.61 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 -1.81 3.68 0.77 7.72 1.43 -0.89 -5.09 118.68 124.49 1upm s LEU 18 Ca 0.37 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 1upm s LEU 18 Cb 0.19 -2.88 0.05 0.00 0.03 0.00 0.00 46.19 43.57 1upm s LEU 18 CO 0.30 -0.71 1.10 -2.65 0.23 0.00 0.00 176.35 174.62 1upm n PRO 19 N -1.95 0.35 -1.63 1.29 -0.02 -1.26 -4.89 135.00 126.89 1upm n PRO 19 Ca 0.03 0.19 -0.49 0.00 -2.02 0.00 0.00 63.50 61.21 1upm n PRO 19 Cb 0.58 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 -2.62 1.63 -1.68 0.52 -0.02 -1.26 -4.86 135.00 126.71 1upm n PRO 20 Ca 0.13 0.59 -0.46 0.00 -2.02 0.00 0.00 63.50 61.74 1upm n PRO 20 Cb 0.50 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.07 3.30 -4.70 2.45 4.77 -1.26 -4.99 117.00 119.64 1upm n LEU 21 Ca 0.18 1.04 -0.29 0.00 -0.03 0.00 0.00 56.01 56.91 1upm n LEU 21 Cb 0.24 -1.42 0.17 0.00 -2.33 0.00 0.00 43.42 40.07 1upm n LEU 21 CO 0.63 -0.17 0.66 0.42 -1.33 0.00 0.00 177.39 177.60 1upm s THR 22 N 2.05 2.04 0.25 -5.08 -4.23 -1.26 -4.82 115.64 104.59 1upm s THR 22 Ca 0.83 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.30 1upm s THR 22 Cb -0.66 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 70.82 1upm s THR 22 CO 0.42 -0.02 1.87 0.71 -0.54 0.00 0.00 174.62 177.07 1upm h THR 23 N -1.80 1.25 -0.75 3.99 1.35 -1.99 -0.87 112.91 114.09 1upm h THR 23 Ca -0.54 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1upm h THR 23 Cb 1.33 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.77 1upm h THR 23 CO 0.59 0.28 0.32 0.44 -0.25 0.00 0.00 175.52 176.90 1upm h ASP 24 N 1.23 0.99 -0.45 5.36 3.32 -1.99 -1.48 116.42 123.40 1upm h ASP 24 Ca 0.31 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1upm h ASP 24 Cb 0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1upm h ASP 24 CO -0.05 0.87 -0.22 1.56 -1.72 0.00 0.00 179.24 179.67 1upm h GLN 25 N 1.07 0.97 0.17 3.56 4.20 -1.68 -2.15 115.11 121.25 1upm h GLN 25 Ca 0.25 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1upm h GLN 25 Cb 0.16 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1upm h GLN 25 CO -0.03 1.08 -0.10 1.25 -0.67 0.00 0.00 178.83 180.37 1upm h LEU 26 N 0.83 -0.24 -0.77 1.46 6.46 -1.07 -2.28 115.31 119.71 1upm h LEU 26 Ca 0.11 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.06 1upm h LEU 26 Cb 0.79 0.07 -0.12 0.00 -0.73 0.00 0.00 40.66 40.67 1upm h LEU 26 CO 0.07 -0.16 0.13 0.00 -0.62 0.00 0.00 178.44 177.86 1upm h ALA 27 N 0.57 0.97 -0.03 1.25 0.00 -1.24 -1.84 119.26 118.94 1upm h ALA 27 Ca -0.02 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1upm h ALA 27 Cb 0.21 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1upm h ALA 27 CO 0.03 -0.40 -0.45 0.00 0.00 0.00 0.00 179.25 178.43 1upm h ARG 28 N 0.20 0.07 -0.41 0.00 3.08 -1.05 -0.49 114.38 115.78 1upm h ARG 28 Ca 0.44 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.39 1upm h ARG 28 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1upm h ARG 28 CO -0.59 0.51 -0.00 1.96 -1.07 0.00 0.00 179.97 180.78 1upm h GLN 29 N 0.06 0.73 -0.57 0.04 1.08 -0.79 -1.64 115.11 114.02 1upm h GLN 29 Ca 0.00 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1upm h GLN 29 Cb 0.83 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 1upm h GLN 29 CO 0.06 0.81 0.36 0.28 -0.95 0.00 0.00 178.83 179.39 1upm h VAL 30 N 0.56 1.16 -0.72 -0.54 2.07 -1.15 -2.05 116.25 115.58 1upm h VAL 30 Ca 0.12 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1upm h VAL 30 Cb 0.48 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1upm h VAL 30 CO 0.02 0.16 0.43 0.44 0.02 0.00 0.00 177.57 178.64 1upm h ASP 31 N 0.77 0.66 -0.77 0.57 3.32 -0.96 -1.62 116.42 118.39 1upm h ASP 31 Ca 0.21 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1upm h ASP 31 Cb -0.04 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1upm h ASP 31 CO -0.04 0.43 0.39 0.22 -1.72 0.00 0.00 179.24 178.52 1upm h TYR 32 N 0.80 1.09 -0.08 4.55 3.20 -1.04 0.26 116.97 125.75 1upm h TYR 32 Ca 0.31 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1upm h TYR 32 Cb 0.15 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 1upm h TYR 32 CO -0.06 0.79 0.02 1.25 -1.64 0.00 0.00 178.16 178.53 1upm h LEU 33 N 1.08 0.12 -0.64 2.82 5.85 -0.76 -2.69 115.31 121.08 1upm h LEU 33 Ca 0.27 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1upm h LEU 33 Cb 0.09 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1upm h LEU 33 CO -0.04 0.30 0.26 -0.07 -0.34 0.00 0.00 178.44 178.54 1upm h LEU 34 N -0.06 0.89 -1.94 2.25 3.38 -1.16 -2.72 115.31 115.95 1upm h LEU 34 Ca 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1upm h LEU 34 Cb 0.22 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1upm h LEU 34 CO -0.00 0.82 -0.11 0.78 0.09 0.00 0.00 178.44 180.02 1upm h ASN 35 N 0.90 0.00 -0.12 -0.43 2.35 -0.47 0.21 115.58 118.03 1upm h ASN 35 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1upm h ASN 35 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1upm h ASN 35 CO -0.02 0.11 0.00 0.59 -1.65 0.00 0.00 177.43 176.46 1upm n ASN 36 N -4.00 1.12 -3.12 5.81 3.02 -1.02 -4.93 115.26 112.14 1upm n ASN 36 Ca -0.02 -1.64 -0.21 0.00 -0.03 0.00 0.00 54.58 52.68 1upm n ASN 36 Cb 0.20 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.03 -6.58 -3.56 3.52 5.02 0.75 -5.01 118.16 112.27 1upm n LYS 37 Ca 0.15 0.74 -0.27 0.00 -2.02 0.00 0.00 58.31 56.91 1upm n LYS 37 Cb 0.24 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.25 3.48 -0.26 2.13 0.51 -1.04 -4.95 118.94 115.56 1upm s TRP 38 Ca 0.48 0.39 -0.21 0.00 -2.12 0.00 0.00 56.10 54.64 1upm s TRP 38 Cb -0.21 -1.91 -0.02 0.00 -0.81 0.00 0.00 33.47 30.53 1upm s TRP 38 CO 0.59 0.28 0.65 0.08 -0.51 0.00 0.00 176.95 178.04 1upm s VAL 39 N -2.01 4.96 0.41 4.03 1.01 0.02 -4.60 120.40 124.21 1upm s VAL 39 Ca 0.40 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 63.29 1upm s VAL 39 Cb -0.11 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1upm s VAL 39 CO 0.31 0.00 1.13 -2.16 0.00 0.00 0.00 175.10 174.38 1upm s PRO 40 N 2.55 4.05 -0.05 2.72 0.04 -1.26 -0.06 135.00 142.99 1upm s PRO 40 Ca 0.27 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1upm s PRO 40 Cb -0.15 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1upm s PRO 40 CO 0.09 -0.30 0.25 0.00 0.04 0.00 0.00 177.00 177.07 1upm s LEU 42 N -0.71 4.14 0.01 0.00 1.02 -1.26 -1.18 118.68 120.70 1upm s LEU 42 Ca -0.08 0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.34 1upm s LEU 42 Cb -0.04 -2.41 -0.01 0.00 0.02 0.00 0.00 46.19 43.74 1upm s LEU 42 CO 0.02 0.28 -0.05 -1.61 0.02 0.00 0.00 176.35 175.00 1upm s GLU 43 N -1.78 0.42 0.09 1.70 2.02 -0.76 -1.39 118.70 119.00 1upm s GLU 43 Ca 0.24 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.90 1upm s GLU 43 Cb -0.12 -0.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 1upm s GLU 43 CO 0.15 0.08 -0.02 -0.59 0.02 0.00 0.00 175.26 174.91 1upm s PHE 44 N -0.47 0.74 -0.28 1.61 -0.71 -0.51 -1.21 117.98 117.14 1upm s PHE 44 Ca -0.02 -1.06 -0.15 0.00 -1.04 0.00 0.00 56.93 54.67 1upm s PHE 44 Cb -0.04 -0.47 0.09 0.00 -1.21 0.00 0.00 43.02 41.39 1upm s PHE 44 CO -0.00 -0.34 0.67 -2.00 -1.34 0.00 0.00 175.22 172.21 1upm s GLU 45 N -3.92 0.67 -0.12 1.99 2.56 -0.56 -1.37 118.70 117.94 1upm s GLU 45 Ca 0.13 1.26 0.14 0.00 0.00 0.00 0.00 54.97 56.49 1upm s GLU 45 Cb 0.07 0.28 -0.19 0.00 2.00 0.00 0.00 34.13 36.28 1upm s GLU 45 CO -0.05 -0.16 0.10 0.25 -0.56 0.00 0.00 175.26 174.84 1upm n THR 46 N 4.54 0.84 -0.12 -1.70 -2.24 -1.26 -1.15 114.28 113.20 1upm n THR 46 Ca -0.18 -0.58 -0.24 0.00 -2.27 0.00 0.00 64.05 60.78 1upm n THR 46 Cb 0.57 -0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.46 1.76 -3.99 3.42 8.00 -1.26 -4.75 116.55 117.27 1upm n ASP 47 Ca -0.20 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 1upm n ASP 47 Cb 0.88 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 41.15 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 3.58 0.51 1.24 3.76 -1.26 -4.94 115.29 115.67 1upm s HIS 48 Ca -0.33 -3.17 0.18 0.00 -0.15 0.00 0.00 55.06 51.59 1upm s HIS 48 Cb 0.12 -2.93 1.31 0.00 1.11 0.00 0.00 32.58 32.19 1upm s HIS 48 CO 0.43 -0.66 2.13 0.78 -0.85 0.00 0.00 174.74 176.57 1upm h GLY 49 N 5.91 0.00 -1.96 -2.22 0.00 -1.88 -3.44 103.07 99.48 1upm h GLY 49 Ca 0.10 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.84 1upm h GLY 49 CO 0.75 0.00 -0.66 -1.36 0.00 0.00 0.00 176.54 175.27 1upm s PHE 50 N -4.87 2.30 0.47 5.60 0.08 -1.26 -5.11 117.98 115.18 1upm s PHE 50 Ca -0.05 -0.61 -0.20 0.00 0.12 0.00 0.00 56.93 56.19 1upm s PHE 50 Cb 0.16 -1.39 -0.09 0.00 -0.57 0.00 0.00 43.02 41.13 1upm s PHE 50 CO 0.65 0.45 1.00 0.54 -0.10 0.00 0.00 175.22 177.76 1upm s VAL 51 N -2.76 4.09 0.33 -0.44 0.11 -1.26 -4.77 120.40 115.70 1upm s VAL 51 Ca 0.33 1.28 -0.14 0.00 -2.93 0.00 0.00 61.98 60.52 1upm s VAL 51 Cb 0.05 -3.53 0.03 0.00 -1.53 0.00 0.00 36.38 31.40 1upm s VAL 51 CO 0.16 -0.30 0.66 -0.72 -3.33 0.00 0.00 175.10 171.57 1upm s TYR 52 N -2.11 0.29 -0.47 1.54 1.13 -0.51 -4.99 117.35 112.22 1upm s TYR 52 Ca 0.64 -0.78 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 1upm s TYR 52 Cb -0.13 0.53 0.16 0.00 -1.10 0.00 0.00 41.96 41.42 1upm s TYR 52 CO 0.18 -1.33 0.35 1.03 -2.51 0.00 0.00 175.55 173.27 1upm s ARG 53 N -3.05 1.23 -0.18 -3.49 0.52 -1.26 -0.59 118.95 112.14 1upm s ARG 53 Ca 0.19 -2.27 -0.17 0.00 -0.52 0.00 0.00 55.73 52.95 1upm s ARG 53 Cb -0.04 -1.92 -0.14 0.00 0.52 0.00 0.00 34.95 33.38 1upm s ARG 53 CO 0.12 -1.32 0.12 1.49 0.02 0.00 0.00 175.30 175.73 1upm h GLU 54 N 5.85 0.00 0.00 3.54 4.81 -1.98 -3.43 114.58 123.37 1upm h GLU 54 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1upm h GLU 54 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1upm h GLU 54 CO 0.44 0.65 -0.78 0.72 -0.73 0.00 0.00 179.01 179.32 1upm n HIS 55 N -4.52 0.27 -3.70 0.92 8.25 -1.26 -4.98 115.22 110.20 1upm n HIS 55 Ca -0.22 0.08 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 1upm n HIS 55 Cb 0.51 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.20 0.00 4.41 2.46 -1.26 -5.08 115.29 112.49 1upm s HIS 56 Ca 0.06 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.51 1upm s HIS 56 Cb 0.15 0.62 0.00 0.00 -0.13 0.00 0.00 32.58 33.22 1upm s HIS 56 CO 0.76 -0.82 0.24 0.09 -2.47 0.00 0.00 174.74 172.53 1upm n ASN 57 N -0.42 0.00 -4.80 9.88 3.02 -1.26 -4.83 115.26 116.84 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 0.08 0.00 -0.61 0.00 0.00 39.78 39.86 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 4.67 -0.13 6.41 1.04 -1.26 -4.90 113.70 119.54 1upm s SER 58 Ca 0.00 1.43 -0.39 0.00 0.48 0.00 0.00 55.95 57.48 1upm s SER 58 Cb 0.00 -2.20 -0.16 0.00 0.10 0.00 0.00 66.02 63.76 1upm s SER 58 CO 0.00 -1.87 1.58 -2.65 0.98 0.00 0.00 173.24 171.28 1upm n PRO 59 N -3.38 1.17 -0.79 4.02 -0.02 -1.26 -2.19 135.00 132.55 1upm n PRO 59 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1upm n PRO 59 Cb 0.55 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 3.52 0.81 3.66 -1.23 0.00 -1.26 -5.02 105.19 105.67 1upm n GLY 60 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.11 3.35 0.01 1.61 6.14 -0.93 -5.08 117.35 119.33 1upm s TYR 61 Ca 0.00 0.44 0.01 0.00 0.64 0.00 0.00 57.07 58.16 1upm s TYR 61 Cb 0.00 -2.42 -0.01 0.00 0.42 0.00 0.00 41.96 39.96 1upm s TYR 61 CO 0.00 0.02 -0.04 0.71 0.64 0.00 0.00 175.55 176.88 1upm s TYR 62 N 1.22 0.37 0.55 4.97 2.02 -1.26 -4.72 117.35 120.49 1upm s TYR 62 Ca 0.14 -0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 56.54 1upm s TYR 62 Cb -0.14 -0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1upm s TYR 62 CO 0.06 -0.04 0.92 -0.51 -1.57 0.00 0.00 175.55 174.41 1upm s ASP 63 N -0.56 6.28 0.00 2.29 1.01 0.25 -4.45 116.67 121.48 1upm s ASP 63 Ca -0.03 1.22 0.00 0.00 0.71 0.00 0.00 52.55 54.45 1upm s ASP 63 Cb -0.04 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1upm s ASP 63 CO -0.00 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.27 1upm n GLY 64 N -2.42 0.88 0.14 0.21 0.00 -1.26 -1.42 105.19 101.32 1upm n GLY 64 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 3.85 0.39 -6.46 1.61 3.08 -1.92 -3.43 114.38 111.49 1upm h ARG 65 Ca 0.00 -0.31 -0.54 0.00 0.07 0.00 0.00 59.98 59.21 1upm h ARG 65 Cb 0.00 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1upm h ARG 65 CO 0.00 0.94 0.68 0.71 -1.07 0.00 0.00 179.97 181.23 1upm s TYR 66 N -3.68 3.23 0.23 3.04 2.02 -1.26 -5.05 117.35 115.88 1upm s TYR 66 Ca -0.14 1.09 0.03 0.00 -0.37 0.00 0.00 57.07 57.68 1upm s TYR 66 Cb 0.04 -3.55 0.03 0.00 -0.40 0.00 0.00 41.96 38.08 1upm s TYR 66 CO 0.79 -1.85 0.25 0.91 -1.57 0.00 0.00 175.55 174.08 1upm n TRP 67 N 4.37 -1.99 -4.26 2.71 7.02 -1.26 -5.10 117.44 118.93 1upm n TRP 67 Ca 0.11 -0.90 -0.35 0.00 -1.02 0.00 0.00 57.50 55.34 1upm n TRP 67 Cb 0.45 -0.21 -0.09 0.00 -2.42 0.00 0.00 31.31 29.04 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 -0.76 4.48 0.09 -0.99 -1.32 -0.47 -4.91 115.64 111.75 1upm s THR 68 Ca 0.19 -0.17 -0.31 0.00 -1.21 0.00 0.00 61.69 60.19 1upm s THR 68 Cb -0.02 -2.92 -0.08 0.00 -1.51 0.00 0.00 72.50 67.97 1upm s THR 68 CO 0.12 0.57 1.49 -0.32 -2.21 0.00 0.00 174.62 174.27 1upm s MET 69 N -0.54 4.26 -0.44 7.08 1.75 -1.26 -1.43 119.30 128.73 1upm s MET 69 Ca 0.10 2.16 -0.28 0.00 -1.25 0.00 0.00 55.69 56.42 1upm s MET 69 Cb -0.12 -3.39 0.03 0.00 2.84 0.00 0.00 34.83 34.19 1upm s MET 69 CO 0.02 -0.57 1.09 -0.46 -0.65 0.00 0.00 175.02 174.45 1upm s TRP 70 N 1.78 2.91 0.00 4.11 -0.11 -0.48 -4.91 118.94 122.23 1upm s TRP 70 Ca 0.68 0.76 0.00 0.00 1.22 0.00 0.00 56.10 58.76 1upm s TRP 70 Cb -0.38 -4.19 0.00 0.00 -1.50 0.00 0.00 33.47 27.40 1upm s TRP 70 CO 0.30 -1.13 0.00 1.63 -4.62 0.00 0.00 176.95 173.13 1upm n LYS 71 N 7.51 0.00 -4.20 5.86 5.02 -1.26 -4.56 118.16 126.53 1upm n LYS 71 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1upm n LYS 71 Cb 0.49 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 2.48 0.23 -0.35 1.43 -1.26 -5.11 118.68 116.11 1upm s LEU 72 Ca 0.00 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 1upm s LEU 72 Cb 0.00 -0.17 -0.15 0.00 0.03 0.00 0.00 46.19 45.90 1upm s LEU 72 CO 0.00 -0.43 1.04 -2.65 0.23 0.00 0.00 176.35 174.54 1upm n PRO 73 N -0.11 1.18 -1.95 1.29 -0.02 -1.26 -4.83 135.00 129.29 1upm n PRO 73 Ca -0.11 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 1upm n PRO 73 Cb 0.61 -1.81 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.18 3.54 -1.73 -0.52 2.81 -0.40 -4.97 117.12 117.03 1upm n MET 74 Ca 0.12 -3.04 -0.42 0.00 -1.81 0.00 0.00 57.70 52.55 1upm n MET 74 Cb 0.28 -2.98 -0.01 0.00 -0.71 0.00 0.00 33.22 29.81 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 4.19 2.57 -0.90 2.03 3.72 -1.26 -1.90 117.46 125.92 1upm n PHE 75 Ca 0.52 0.49 0.00 0.00 -0.05 0.00 0.00 57.45 58.42 1upm n PHE 75 Cb 0.34 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.40 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 0.77 0.26 3.74 1.37 0.00 -1.26 -5.00 105.19 105.07 1upm n GLY 76 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 2.84 0.10 -4.07 0.00 -2.24 -1.26 -5.00 114.28 104.64 1upm n THR 78 Ca 0.09 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1upm n THR 78 Cb 0.40 1.36 -0.16 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.10 3.59 0.52 3.42 2.15 -1.26 -5.00 116.67 119.99 1upm s ASP 79 Ca 0.00 -0.94 0.20 0.00 0.43 0.00 0.00 52.55 52.24 1upm s ASP 79 Cb 0.00 -1.43 1.36 0.00 -0.30 0.00 0.00 42.92 42.55 1upm s ASP 79 CO 0.00 -0.10 2.13 1.55 -0.17 0.00 0.00 175.17 178.59 1upm h PRO 80 N 7.90 0.00 -0.27 4.34 0.13 -1.96 -1.58 132.00 140.56 1upm h PRO 80 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.54 0.05 0.08 0.00 -0.23 0.00 0.00 178.00 178.44 1upm h ALA 81 N 1.95 1.64 0.10 -0.56 0.00 -1.99 -2.00 119.26 118.40 1upm h ALA 81 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1upm h ALA 81 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1upm h ALA 81 CO 0.01 0.28 -0.05 1.96 0.00 0.00 0.00 179.25 181.45 1upm h GLN 82 N 0.39 -0.13 -0.29 0.00 4.20 -1.72 -0.90 115.11 116.66 1upm h GLN 82 Ca 0.10 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1upm h GLN 82 Cb 0.13 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1upm h GLN 82 CO -0.01 -0.05 0.01 0.28 -0.67 0.00 0.00 178.83 178.39 1upm h VAL 83 N -0.18 0.80 -0.27 -0.54 2.07 -1.54 -0.73 116.25 115.87 1upm h VAL 83 Ca -0.01 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1upm h VAL 83 Cb 0.14 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1upm h VAL 83 CO 0.02 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 177.49 1upm h LEU 84 N 0.10 0.41 -0.33 2.57 3.38 -1.35 -1.30 115.31 118.79 1upm h LEU 84 Ca 0.14 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 84 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1upm h LEU 84 CO -0.22 0.54 -0.00 -1.13 0.09 0.00 0.00 178.44 177.71 1upm h ASN 85 N 0.41 0.58 -0.81 -0.43 -0.73 -0.74 -1.84 115.58 112.02 1upm h ASN 85 Ca 0.08 -0.31 -0.03 0.00 1.87 0.00 0.00 56.30 57.91 1upm h ASN 85 Cb 0.39 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 1upm h ASN 85 CO 0.02 0.75 0.39 -0.33 -0.37 0.00 0.00 177.43 177.89 1upm h GLU 86 N 0.39 1.18 -0.49 6.67 4.39 -0.69 -1.31 114.58 124.73 1upm h GLU 86 Ca 0.09 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.66 1upm h GLU 86 Cb 0.45 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1upm h GLU 86 CO 0.02 0.91 0.26 1.25 -1.16 0.00 0.00 179.01 180.29 1upm h LEU 87 N 1.17 0.39 -1.18 1.33 5.85 -1.14 0.13 115.31 121.86 1upm h LEU 87 Ca 0.28 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1upm h LEU 87 Cb 0.12 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1upm h LEU 87 CO -0.03 0.27 0.54 -0.33 -0.34 0.00 0.00 178.44 178.54 1upm h GLU 88 N 0.51 1.09 -0.23 1.25 4.39 -0.95 -1.17 114.58 119.46 1upm h GLU 88 Ca 0.21 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1upm h GLU 88 Cb 0.10 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1upm h GLU 88 CO -0.13 0.73 -0.07 1.49 -1.16 0.00 0.00 179.01 179.87 1upm h GLU 89 N 1.12 0.46 -0.53 2.33 4.81 -0.36 -2.04 114.58 120.37 1upm h GLU 89 Ca 0.30 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1upm h GLU 89 Cb -0.12 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1upm h GLU 89 CO -0.06 0.70 0.28 0.00 -0.73 0.00 0.00 179.01 179.19 1upm h LYS 91 N 0.54 0.94 -0.51 0.00 1.57 -1.11 0.11 116.57 118.11 1upm h LYS 91 Ca 0.23 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1upm h LYS 91 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1upm h LYS 91 CO -0.14 0.62 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.10 1upm h LYS 92 N 0.96 0.89 0.06 3.15 3.64 -1.11 -2.45 116.57 121.71 1upm h LYS 92 Ca 0.29 -0.28 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 1upm h LYS 92 Cb -0.05 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1upm h LYS 92 CO -0.09 0.91 -1.20 1.49 -2.27 0.00 0.00 179.45 178.29 1upm h GLU 93 N 0.82 0.13 -2.13 1.90 4.81 -1.06 -3.39 114.58 115.65 1upm h GLU 93 Ca 0.15 -0.22 -0.58 0.00 -0.13 0.00 0.00 59.36 58.57 1upm h GLU 93 Cb 0.54 0.08 -0.41 0.00 0.63 0.00 0.00 28.75 29.60 1upm h GLU 93 CO 0.03 1.06 -0.83 0.66 -0.73 0.00 0.00 179.01 179.20 1upm n TYR 94 N -3.41 1.75 0.34 0.92 4.01 0.37 -4.94 117.16 116.21 1upm n TYR 94 Ca -0.06 -3.88 0.15 0.00 -0.16 0.00 0.00 57.90 53.95 1upm n TYR 94 Cb 0.99 -0.45 0.60 0.00 -0.31 0.00 0.00 39.34 40.17 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 4.15 0.00 -0.31 -0.72 0.13 -1.65 -2.39 132.00 131.21 1upm h PRO 95 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1upm h PRO 95 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1upm h PRO 95 CO 0.66 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.70 1upm n ASN 96 N -2.65 2.62 -4.88 1.44 6.94 -1.26 -4.53 115.26 112.94 1upm n ASN 96 Ca 0.01 -1.88 -0.23 0.00 -0.02 0.00 0.00 54.58 52.46 1upm n ASN 96 Cb 0.26 -0.20 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 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 -1.60 3.74 0.13 -2.53 0.00 -0.90 -4.75 121.76 115.85 1upm s ALA 97 Ca 0.35 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1upm s ALA 97 Cb 0.20 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 1upm s ALA 97 CO 0.28 0.36 0.94 -0.06 0.00 0.00 0.00 175.76 177.28 1upm s PHE 98 N -1.93 3.84 -0.10 0.00 0.08 -0.30 -3.49 117.98 116.08 1upm s PHE 98 Ca 0.33 1.80 0.01 0.00 0.12 0.00 0.00 56.93 59.19 1upm s PHE 98 Cb -0.09 -3.02 0.02 0.00 -0.57 0.00 0.00 43.02 39.36 1upm s PHE 98 CO 0.26 0.27 -0.14 0.42 -0.10 0.00 0.00 175.22 175.93 1upm s ILE 99 N -0.25 1.38 0.18 0.64 1.01 -0.75 -1.50 121.20 121.91 1upm s ILE 99 Ca 0.45 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.64 1upm s ILE 99 Cb -0.24 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1upm s ILE 99 CO 0.30 0.42 -0.20 0.00 0.00 0.00 0.00 174.94 175.46 1upm s ARG 100 N 1.07 1.68 -0.18 2.79 1.70 -0.35 -0.43 118.95 125.22 1upm s ARG 100 Ca -0.06 -1.43 -0.06 0.00 -0.47 0.00 0.00 55.73 53.71 1upm s ARG 100 Cb -0.15 -1.95 -0.03 0.00 -0.57 0.00 0.00 34.95 32.26 1upm s ARG 100 CO -0.02 0.41 0.02 0.42 -1.08 0.00 0.00 175.30 175.05 1upm s ILE 101 N -1.64 4.27 0.30 4.99 1.01 -0.55 -1.83 121.20 127.76 1upm s ILE 101 Ca 0.22 -0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.74 1upm s ILE 101 Cb -0.08 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 1upm s ILE 101 CO 0.11 0.45 -0.11 0.27 0.00 0.00 0.00 174.94 175.66 1upm s ILE 102 N 0.62 2.08 -0.05 2.92 -4.36 -0.33 -1.90 121.20 120.19 1upm s ILE 102 Ca 0.01 -2.23 -0.01 0.00 -0.26 0.00 0.00 60.65 58.16 1upm s ILE 102 Cb -0.14 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.13 1upm s ILE 102 CO 0.02 -0.31 0.03 -0.83 0.24 0.00 0.00 174.94 174.09 1upm s GLY 103 N -3.52 0.30 0.02 6.27 0.00 -0.74 -1.00 107.32 108.66 1upm s GLY 103 Ca 0.30 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 1upm s GLY 103 CO 0.14 1.13 0.43 -1.36 0.00 0.00 0.00 173.10 173.44 1upm s PHE 104 N 1.84 3.71 -0.37 1.90 0.08 0.91 -0.97 117.98 125.08 1upm s PHE 104 Ca 0.02 1.00 -0.11 0.00 0.12 0.00 0.00 56.93 57.96 1upm s PHE 104 Cb -0.12 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 1upm s PHE 104 CO -0.03 0.61 0.21 0.34 -0.10 0.00 0.00 175.22 176.25 1upm s ASP 105 N -1.19 5.73 0.46 1.36 -1.08 -0.82 -0.80 116.67 120.33 1upm s ASP 105 Ca 0.26 -0.98 0.26 0.00 -0.52 0.00 0.00 52.55 51.57 1upm s ASP 105 Cb -0.17 -2.02 0.85 0.00 -1.46 0.00 0.00 42.92 40.12 1upm s ASP 105 CO 0.15 -0.38 1.79 0.77 0.52 0.00 0.00 175.17 178.02 1upm h SER 106 N 8.44 0.00 -0.28 -0.34 4.64 -1.92 0.53 113.55 124.62 1upm h SER 106 Ca -0.26 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 1upm h SER 106 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1upm h SER 106 CO 0.67 0.13 -0.48 0.78 -0.87 0.00 0.00 176.83 177.06 1upm h ASN 107 N 0.00 0.93 0.58 4.97 2.35 -1.97 -3.27 115.58 119.18 1upm h ASN 107 Ca -0.00 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1upm h ASN 107 Cb 0.79 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1upm h ASN 107 CO 0.02 1.25 -1.42 0.54 -1.65 0.00 0.00 177.43 176.17 1upm n ARG 108 N -4.02 0.63 -3.44 0.81 1.74 -1.11 -5.00 116.66 106.26 1upm n ARG 108 Ca -0.03 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.83 1upm n ARG 108 Cb 0.59 -1.70 0.06 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.51 -2.34 -3.74 5.56 2.13 0.18 -5.03 120.64 114.91 1upm n GLU 109 Ca -0.02 0.71 -0.13 0.00 0.66 0.00 0.00 57.16 58.38 1upm n GLU 109 Cb 0.56 -5.20 -0.13 0.00 0.27 0.00 0.00 31.44 26.93 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 -3.44 -0.04 0.10 6.31 1.01 -1.15 -5.01 120.40 118.18 1upm s VAL 110 Ca 0.41 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 1upm s VAL 110 Cb -0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 1upm s VAL 110 CO 0.79 0.06 1.32 -1.10 0.00 0.00 0.00 175.10 176.17 1upm s GLN 111 N 1.14 4.36 -0.00 2.72 -0.21 -1.26 -1.94 119.66 124.46 1upm s GLN 111 Ca -0.08 1.97 0.15 0.00 0.02 0.00 0.00 55.36 57.41 1upm s GLN 111 Cb -0.10 -3.28 -0.17 0.00 1.00 0.00 0.00 33.01 30.46 1upm s GLN 111 CO -0.07 -0.37 0.56 0.00 -2.12 0.00 0.00 175.29 173.29 1upm s ILE 113 N -2.51 0.50 -0.30 0.00 -1.09 -1.19 -4.97 121.20 111.65 1upm s ILE 113 Ca 0.03 -0.25 -0.12 0.00 -2.23 0.00 0.00 60.65 58.09 1upm s ILE 113 Cb 0.11 -0.44 0.13 0.00 -1.58 0.00 0.00 42.46 40.68 1upm s ILE 113 CO 0.60 0.15 0.72 -0.55 -1.23 0.00 0.00 174.94 174.64 1upm s SER 114 N 0.00 -1.01 -0.03 3.58 0.15 -1.26 -1.79 113.70 113.34 1upm s SER 114 Ca 0.00 1.42 -0.26 0.00 0.70 0.00 0.00 55.95 57.81 1upm s SER 114 Cb -0.04 2.08 0.06 0.00 -1.71 0.00 0.00 66.02 66.41 1upm s SER 114 CO -0.00 -0.20 0.58 0.72 1.20 0.00 0.00 173.24 175.54 1upm s PHE 115 N 2.67 -0.53 0.06 3.44 -0.12 -0.80 -4.36 117.98 118.34 1upm s PHE 115 Ca -0.06 0.86 -0.30 0.00 -0.05 0.00 0.00 56.93 57.38 1upm s PHE 115 Cb -0.10 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1upm s PHE 115 CO -0.19 -0.56 1.08 -1.50 -0.05 0.00 0.00 175.22 174.01 1upm s ILE 116 N -1.34 4.36 -0.02 -4.49 1.10 -1.26 -1.48 121.20 118.06 1upm s ILE 116 Ca -0.11 1.75 0.05 0.00 -0.51 0.00 0.00 60.65 61.83 1upm s ILE 116 Cb -0.01 -4.12 -0.08 0.00 0.15 0.00 0.00 42.46 38.40 1upm s ILE 116 CO 0.08 0.17 0.09 0.00 -2.11 0.00 0.00 174.94 173.17 1upm n ALA 117 N 3.60 2.11 -3.30 1.50 0.00 0.43 -4.93 120.51 119.92 1upm n ALA 117 Ca 0.06 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1upm n ALA 117 Cb 0.48 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.31 -0.41 -0.01 0.00 5.04 -0.86 -5.00 117.35 113.80 1upm s TYR 118 Ca -0.02 0.95 0.04 0.00 -2.44 0.00 0.00 57.07 55.60 1upm s TYR 118 Cb 0.03 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1upm s TYR 118 CO 0.22 -0.26 -0.13 0.15 -1.34 0.00 0.00 175.55 174.18 1upm s LYS 119 N -0.12 1.10 1.21 4.97 1.02 -1.26 -1.82 119.74 124.84 1upm s LYS 119 Ca -0.03 -0.48 -0.20 0.00 0.02 0.00 0.00 55.97 55.29 1upm s LYS 119 Cb -0.03 -1.06 0.29 0.00 -0.52 0.00 0.00 37.83 36.51 1upm s LYS 119 CO 0.02 0.28 1.13 -1.25 -0.92 0.00 0.00 175.35 174.61 1upm s PRO 120 N -0.29 -1.26 0.13 -1.68 0.04 -1.23 -4.88 135.00 125.83 1upm s PRO 120 Ca 0.05 -0.16 -0.33 0.00 0.04 0.00 0.00 61.00 60.60 1upm s PRO 120 Cb -0.05 -1.60 -0.12 0.00 0.04 0.00 0.00 34.50 32.76 1upm s PRO 120 CO -0.00 -3.72 1.72 0.00 0.04 0.00 0.00 177.00 175.04 1upm n ALA 121 N -4.75 1.84 -0.50 8.56 0.00 -1.26 -2.43 120.51 121.98 1upm n ALA 121 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1upm n ALA 121 Cb 0.60 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.89 0.74 0.00 0.00 0.00 -1.26 -5.17 105.19 103.39 1upm n GLY 122 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1upm n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60