#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 3.34 -0.25 2.12 0.74 -1.26 -5.08 119.66 119.26 1upm s GLN 2 Ca 0.00 -0.20 -0.14 0.00 0.05 0.00 0.00 55.36 55.07 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 0.76 0.34 0.08 -0.55 0.00 0.00 175.29 175.92 1upm s VAL 3 N -0.98 5.21 -0.03 1.34 1.01 -1.26 -5.03 120.40 120.66 1upm s VAL 3 Ca 0.14 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1upm s VAL 3 Cb -0.12 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1upm s VAL 3 CO 0.04 0.20 1.82 0.86 0.00 0.00 0.00 175.10 178.02 1upm s TRP 4 N 1.79 1.63 1.11 5.22 -0.11 -1.26 -4.95 118.94 122.37 1upm s TRP 4 Ca 0.14 -0.08 -0.12 0.00 1.22 0.00 0.00 56.10 57.26 1upm s TRP 4 Cb -0.15 -4.07 0.25 0.00 -1.50 0.00 0.00 33.47 28.00 1upm s TRP 4 CO 0.09 -4.62 1.05 -2.14 -4.62 0.00 0.00 176.95 166.72 1upm s PRO 5 N 4.35 -0.48 0.00 5.86 0.02 -1.26 -5.00 135.00 138.49 1upm s PRO 5 Ca 0.81 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1upm s PRO 5 Cb -0.37 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1upm s PRO 5 CO 0.35 -3.48 0.00 1.51 -0.33 0.00 0.00 177.00 175.05 1upm n ILE 6 N -4.77 0.00 -4.06 2.83 0.13 -1.26 -4.94 119.36 107.30 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 0.54 -0.79 -0.09 0.00 -0.84 0.00 0.00 39.64 38.46 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 -3.81 3.82 -1.23 9.51 1.43 -1.26 -4.43 118.68 122.71 1upm s LEU 7 Ca 0.00 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1upm s LEU 7 Cb 0.00 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1upm s LEU 7 CO 0.00 0.23 0.74 0.59 0.23 0.00 0.00 176.35 178.14 1upm n ASN 8 N 3.16 -2.99 -1.72 2.29 5.03 -1.26 -4.89 115.26 114.89 1upm n ASN 8 Ca -0.17 -0.86 -0.01 0.00 0.87 0.00 0.00 54.58 54.41 1upm n ASN 8 Cb 0.53 -4.02 0.07 0.00 -1.02 0.00 0.00 39.78 35.34 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 -4.10 2.11 -4.76 3.41 7.99 -1.26 -5.07 117.00 115.32 1upm n LEU 9 Ca -0.21 -3.09 -0.41 0.00 -0.01 0.00 0.00 56.01 52.28 1upm n LEU 9 Cb 0.65 -0.05 -0.01 0.00 -0.11 0.00 0.00 43.42 43.90 1upm n LEU 9 CO 0.67 1.08 1.15 0.29 -1.51 0.00 0.00 177.39 179.07 1upm n LYS 10 N -0.32 2.65 -4.58 3.23 4.76 -1.26 -5.02 118.16 117.61 1upm n LYS 10 Ca 0.15 0.93 -0.27 0.00 -2.87 0.00 0.00 58.31 56.25 1upm n LYS 10 Cb 0.93 -2.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.35 1upm n LYS 10 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1upm s LYS 11 N -1.59 1.89 -0.12 1.97 -0.14 -1.26 -5.09 119.74 115.41 1upm s LYS 11 Ca 0.57 -2.08 0.23 0.00 -1.36 0.00 0.00 55.97 53.33 1upm s LYS 11 Cb -0.49 -1.37 0.46 0.00 -1.68 0.00 0.00 37.83 34.75 1upm s LYS 11 CO 0.59 -0.13 1.15 0.66 -0.76 0.00 0.00 175.35 176.86 1upm n TYR 12 N -0.91 0.59 -4.84 3.18 4.02 -1.26 -5.10 117.16 112.83 1upm n TYR 12 Ca -0.06 -1.25 0.00 0.00 -0.01 0.00 0.00 57.90 56.59 1upm n TYR 12 Cb 0.67 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 -0.06 0.00 -1.64 -0.72 -0.58 -1.26 -4.57 120.64 111.81 1upm n GLU 13 Ca 0.09 0.00 -0.54 0.00 -0.42 0.00 0.00 57.16 56.29 1upm n GLU 13 Cb 0.98 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.79 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 0.13 -0.21 2.62 -1.04 -1.26 -1.77 114.28 112.74 1upm n THR 14 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1upm n THR 14 Cb 0.00 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 3.68 0.00 0.00 -4.42 4.77 -1.26 -4.61 117.00 115.16 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 0.17 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.94 1upm n LEU 15 CO 0.69 0.00 0.96 -1.54 -1.33 0.00 0.00 177.39 176.17 1upm n SER 16 N 0.00 0.00 -0.59 -1.43 3.41 -0.73 -1.92 113.62 112.36 1upm n SER 16 Ca 0.00 -0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1upm n SER 16 Cb 0.00 -0.31 0.39 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.31 0.17 -2.84 7.33 4.02 -1.26 -4.85 117.16 118.42 1upm n TYR 17 Ca 0.12 -0.08 -0.22 0.00 -0.01 0.00 0.00 57.90 57.71 1upm n TYR 17 Cb 0.23 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.69 3.49 0.76 7.72 1.43 -0.81 -5.08 118.68 124.50 1upm s LEU 18 Ca 0.34 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 1upm s LEU 18 Cb 0.19 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1upm s LEU 18 CO 0.29 -0.89 0.92 -2.65 0.23 0.00 0.00 176.35 174.25 1upm n PRO 19 N -2.19 0.33 -1.65 1.29 -0.02 -1.26 -4.89 135.00 126.61 1upm n PRO 19 Ca 0.04 0.17 -0.51 0.00 -2.02 0.00 0.00 63.50 61.18 1upm n PRO 19 Cb 0.58 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.04 1.57 -1.66 0.52 -0.02 -1.26 -4.87 135.00 127.24 1upm n PRO 20 Ca 0.12 0.57 -0.51 0.00 -2.02 0.00 0.00 63.50 61.66 1upm n PRO 20 Cb 0.50 -2.29 -0.06 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 4.02 2.52 -4.70 2.45 4.77 -1.26 -5.00 117.00 119.80 1upm n LEU 21 Ca 0.20 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.97 1upm n LEU 21 Cb 0.22 -1.26 0.17 0.00 -2.33 0.00 0.00 43.42 40.21 1upm n LEU 21 CO 0.68 -0.52 0.66 0.42 -1.33 0.00 0.00 177.39 177.30 1upm s THR 22 N 2.11 2.00 0.24 -5.08 -4.23 -1.26 -4.82 115.64 104.59 1upm s THR 22 Ca 0.89 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.33 1upm s THR 22 Cb -0.87 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 70.64 1upm s THR 22 CO 0.51 0.00 1.90 0.71 -0.54 0.00 0.00 174.62 177.20 1upm h THR 23 N -1.82 1.26 -0.71 3.99 1.35 -1.99 -0.62 112.91 114.35 1upm h THR 23 Ca -0.54 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 1upm h THR 23 Cb 1.33 -0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 1upm h THR 23 CO 0.59 0.26 0.27 0.44 -0.25 0.00 0.00 175.52 176.83 1upm h ASP 24 N 1.31 0.98 -0.47 5.36 3.32 -1.99 -1.30 116.42 123.63 1upm h ASP 24 Ca 0.35 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 1upm h ASP 24 Cb -0.10 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1upm h ASP 24 CO -0.07 0.88 -0.23 1.56 -1.72 0.00 0.00 179.24 179.66 1upm h GLN 25 N 1.04 1.00 -0.22 3.56 4.20 -1.72 -1.94 115.11 121.01 1upm h GLN 25 Ca 0.24 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1upm h GLN 25 Cb 0.21 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1upm h GLN 25 CO -0.02 1.11 0.15 1.25 -0.67 0.00 0.00 178.83 180.65 1upm h LEU 26 N 0.85 0.25 -0.83 1.46 5.85 -1.06 -2.45 115.31 119.39 1upm h LEU 26 Ca 0.11 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.97 1upm h LEU 26 Cb 0.82 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1upm h LEU 26 CO 0.07 0.18 0.40 0.00 -0.34 0.00 0.00 178.44 178.75 1upm h ALA 27 N 1.08 1.23 0.00 1.25 0.00 -1.11 -1.85 119.26 119.87 1upm h ALA 27 Ca 0.08 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1upm h ALA 27 Cb -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1upm h ALA 27 CO -0.02 -0.13 -0.56 0.00 0.00 0.00 0.00 179.25 178.54 1upm h ARG 28 N 0.57 0.00 -0.45 0.00 3.08 -1.04 -0.33 114.38 116.22 1upm h ARG 28 Ca 0.45 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.38 1upm h ARG 28 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1upm h ARG 28 CO -0.38 0.56 -0.22 1.96 -1.07 0.00 0.00 179.97 180.82 1upm h GLN 29 N 0.00 0.94 -0.39 0.04 1.08 -0.90 -1.44 115.11 114.43 1upm h GLN 29 Ca -0.01 -0.41 -0.11 0.00 -1.45 0.00 0.00 58.65 56.67 1upm h GLN 29 Cb 1.03 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1upm h GLN 29 CO 0.07 1.07 -0.22 -0.24 -0.95 0.00 0.00 178.83 178.57 1upm h VAL 30 N 0.77 1.27 -0.62 -0.54 3.04 -1.03 -2.22 116.25 116.91 1upm h VAL 30 Ca 0.10 -1.33 0.05 0.00 -1.01 0.00 0.00 66.70 64.51 1upm h VAL 30 Cb 0.79 1.20 -0.05 0.00 -2.01 0.00 0.00 31.29 31.22 1upm h VAL 30 CO 0.07 0.44 0.35 0.44 -1.01 0.00 0.00 177.57 177.86 1upm h ASP 31 N 0.68 0.53 -0.71 3.17 3.32 -0.93 -1.27 116.42 121.21 1upm h ASP 31 Ca 0.10 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1upm h ASP 31 Cb 0.73 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1upm h ASP 31 CO 0.06 0.35 0.46 0.22 -1.72 0.00 0.00 179.24 178.61 1upm h TYR 32 N 0.66 0.90 -0.03 4.55 3.20 -1.08 0.43 116.97 125.60 1upm h TYR 32 Ca 0.27 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1upm h TYR 32 Cb 0.14 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1upm h TYR 32 CO -0.08 0.57 0.01 1.25 -1.64 0.00 0.00 178.16 178.28 1upm h LEU 33 N 0.96 0.05 -0.82 2.82 5.85 -0.80 -2.73 115.31 120.64 1upm h LEU 33 Ca 0.26 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1upm h LEU 33 Cb -0.10 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1upm h LEU 33 CO -0.05 0.17 0.20 -0.07 -0.34 0.00 0.00 178.44 178.35 1upm h LEU 34 N -0.09 1.02 -1.85 2.25 3.38 -1.04 -2.75 115.31 116.22 1upm h LEU 34 Ca 0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1upm h LEU 34 Cb 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1upm h LEU 34 CO -0.00 0.96 -0.14 0.78 0.09 0.00 0.00 178.44 180.13 1upm h ASN 35 N 1.04 0.00 -0.06 -0.43 2.35 -0.01 0.90 115.58 119.36 1upm h ASN 35 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1upm h ASN 35 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1upm h ASN 35 CO -0.00 0.14 0.00 0.59 -1.65 0.00 0.00 177.43 176.50 1upm n ASN 36 N -3.87 1.31 -2.57 5.81 3.02 -1.04 -4.94 115.26 112.98 1upm n ASN 36 Ca -0.02 -1.51 -0.15 0.00 -0.03 0.00 0.00 54.58 52.87 1upm n ASN 36 Cb 0.23 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 -5.14 -3.90 3.52 5.02 0.31 -5.02 118.16 112.99 1upm n LYS 37 Ca 0.18 0.55 -0.25 0.00 -2.02 0.00 0.00 58.31 56.78 1upm n LYS 37 Cb 0.31 -4.75 -0.03 0.00 -0.02 0.00 0.00 35.03 30.54 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 -3.22 3.48 -0.23 2.13 0.51 -1.11 -4.96 118.94 115.54 1upm s TRP 38 Ca 0.32 0.11 -0.18 0.00 -2.12 0.00 0.00 56.10 54.22 1upm s TRP 38 Cb -0.14 -1.67 -0.03 0.00 -0.81 0.00 0.00 33.47 30.83 1upm s TRP 38 CO 0.48 0.46 0.52 0.08 -0.51 0.00 0.00 176.95 177.99 1upm s VAL 39 N -1.85 5.08 0.38 4.03 1.01 -0.07 -4.62 120.40 124.37 1upm s VAL 39 Ca 0.35 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.99 1upm s VAL 39 Cb -0.10 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1upm s VAL 39 CO 0.29 0.12 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 1upm s PRO 40 N 2.02 4.19 -0.02 2.72 0.04 -1.26 -0.45 135.00 142.25 1upm s PRO 40 Ca 0.22 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1upm s PRO 40 Cb -0.15 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1upm s PRO 40 CO 0.09 -0.14 0.22 0.00 0.04 0.00 0.00 177.00 177.21 1upm s LEU 42 N -1.05 3.74 0.03 0.00 1.02 -1.26 -1.09 118.68 120.07 1upm s LEU 42 Ca -0.11 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.19 1upm s LEU 42 Cb -0.06 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 1upm s LEU 42 CO 0.02 0.32 -0.08 -1.61 0.02 0.00 0.00 176.35 175.02 1upm s GLU 43 N -1.38 0.54 0.07 1.70 2.02 -0.73 -1.28 118.70 119.64 1upm s GLU 43 Ca 0.18 -0.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 1upm s GLU 43 Cb -0.12 -0.40 -0.03 0.00 0.10 0.00 0.00 34.13 33.68 1upm s GLU 43 CO 0.09 0.09 0.04 -0.59 0.02 0.00 0.00 175.26 174.90 1upm s PHE 44 N -0.96 0.45 -0.29 1.61 -0.71 -0.45 -1.35 117.98 116.28 1upm s PHE 44 Ca -0.05 -0.95 -0.15 0.00 -1.04 0.00 0.00 56.93 54.74 1upm s PHE 44 Cb -0.07 -0.31 0.09 0.00 -1.21 0.00 0.00 43.02 41.52 1upm s PHE 44 CO 0.00 -0.44 0.69 -2.00 -1.34 0.00 0.00 175.22 172.13 1upm s GLU 45 N -3.92 0.67 -0.09 1.99 2.56 -0.47 -1.35 118.70 118.09 1upm s GLU 45 Ca 0.08 1.27 0.12 0.00 0.00 0.00 0.00 54.97 56.44 1upm s GLU 45 Cb 0.07 0.32 -0.18 0.00 2.00 0.00 0.00 34.13 36.34 1upm s GLU 45 CO -0.09 -0.16 0.13 0.25 -0.56 0.00 0.00 175.26 174.83 1upm n THR 46 N 4.58 0.60 -0.10 -1.70 -2.24 -1.26 -0.84 114.28 113.31 1upm n THR 46 Ca -0.18 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 60.93 1upm n THR 46 Cb 0.57 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.32 1.72 -4.02 3.42 8.00 -1.26 -4.77 116.55 117.32 1upm n ASP 47 Ca -0.15 0.29 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 1upm n ASP 47 Cb 0.74 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.54 3.59 0.46 1.24 3.76 -1.26 -4.94 115.29 115.60 1upm s HIS 48 Ca -0.31 -3.07 0.14 0.00 -0.15 0.00 0.00 55.06 51.68 1upm s HIS 48 Cb 0.10 -3.02 1.10 0.00 1.11 0.00 0.00 32.58 31.87 1upm s HIS 48 CO 0.40 -0.71 2.05 0.78 -0.85 0.00 0.00 174.74 176.41 1upm h GLY 49 N 6.14 0.34 -2.00 -2.22 0.00 -1.88 -3.44 103.07 100.01 1upm h GLY 49 Ca 0.08 -0.11 -0.59 0.00 0.00 0.00 0.00 47.33 46.71 1upm h GLY 49 CO 0.76 0.09 -0.67 -1.36 0.00 0.00 0.00 176.54 175.35 1upm s PHE 50 N -5.28 2.29 0.49 5.60 0.08 -1.26 -5.12 117.98 114.79 1upm s PHE 50 Ca -0.07 -0.57 -0.20 0.00 0.12 0.00 0.00 56.93 56.22 1upm s PHE 50 Cb 0.18 -1.33 -0.08 0.00 -0.57 0.00 0.00 43.02 41.22 1upm s PHE 50 CO 0.72 0.49 1.04 0.54 -0.10 0.00 0.00 175.22 177.91 1upm s VAL 51 N -2.73 3.78 0.33 -0.44 0.11 -1.26 -4.77 120.40 115.42 1upm s VAL 51 Ca 0.32 1.09 -0.14 0.00 -2.93 0.00 0.00 61.98 60.32 1upm s VAL 51 Cb 0.03 -3.44 0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1upm s VAL 51 CO 0.15 -0.26 0.67 -0.72 -3.33 0.00 0.00 175.10 171.62 1upm s TYR 52 N -2.01 0.26 -0.46 1.54 1.13 -0.56 -5.00 117.35 112.25 1upm s TYR 52 Ca 0.67 -0.76 0.03 0.00 -1.41 0.00 0.00 57.07 55.61 1upm s TYR 52 Cb -0.16 0.55 0.16 0.00 -1.10 0.00 0.00 41.96 41.40 1upm s TYR 52 CO 0.21 -1.33 0.33 1.03 -2.51 0.00 0.00 175.55 173.28 1upm s ARG 53 N -3.06 1.19 -0.22 -3.49 0.52 -1.26 -0.59 118.95 112.04 1upm s ARG 53 Ca 0.18 -2.19 -0.19 0.00 -0.52 0.00 0.00 55.73 53.01 1upm s ARG 53 Cb -0.04 -1.92 -0.17 0.00 0.52 0.00 0.00 34.95 33.35 1upm s ARG 53 CO 0.12 -1.30 0.06 -1.91 0.02 0.00 0.00 175.30 172.28 1upm n GLU 54 N 2.99 0.56 0.02 3.54 2.13 -1.26 -4.68 120.64 123.95 1upm n GLU 54 Ca 0.22 0.50 0.11 0.00 0.66 0.00 0.00 57.16 58.65 1upm n GLU 54 Cb 0.42 -1.68 0.01 0.00 0.27 0.00 0.00 31.44 30.45 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 -4.40 0.21 -3.75 4.31 8.25 -1.26 -5.00 115.22 113.59 1upm n HIS 55 Ca -0.36 0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.11 1upm n HIS 55 Cb 0.71 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.20 0.00 4.41 2.46 -1.26 -5.09 115.29 112.43 1upm s HIS 56 Ca 0.04 -0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.43 1upm s HIS 56 Cb 0.15 0.65 0.00 0.00 -0.13 0.00 0.00 32.58 33.25 1upm s HIS 56 CO 0.81 -0.95 0.11 0.09 -2.47 0.00 0.00 174.74 172.34 1upm n ASN 57 N -0.44 0.00 -4.79 9.88 3.02 -1.26 -4.83 115.26 116.83 1upm n ASN 57 Ca -0.06 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 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 3.89 -0.05 6.41 1.04 -1.26 -4.90 113.70 118.83 1upm s SER 58 Ca 0.00 1.10 -0.36 0.00 0.48 0.00 0.00 55.95 57.17 1upm s SER 58 Cb 0.00 -1.74 -0.14 0.00 0.10 0.00 0.00 66.02 64.24 1upm s SER 58 CO 0.00 -2.33 1.71 -2.65 0.98 0.00 0.00 173.24 170.95 1upm n PRO 59 N -3.64 1.80 -0.78 4.02 -0.02 -1.26 -2.19 135.00 132.94 1upm n PRO 59 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1upm n PRO 59 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.87 0.77 3.65 -1.23 0.00 -1.26 -5.01 105.19 105.98 1upm n GLY 60 Ca 0.22 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 -2.89 3.31 0.01 1.61 6.14 -0.93 -5.08 117.35 119.52 1upm s TYR 61 Ca 0.00 0.29 0.01 0.00 0.64 0.00 0.00 57.07 58.01 1upm s TYR 61 Cb 0.00 -2.33 -0.01 0.00 0.42 0.00 0.00 41.96 40.04 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 1.19 0.35 0.49 4.97 2.02 -1.26 -4.73 117.35 120.38 1upm s TYR 62 Ca 0.10 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.55 1upm s TYR 62 Cb -0.14 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1upm s TYR 62 CO 0.06 -0.04 0.82 -0.51 -1.57 0.00 0.00 175.55 174.31 1upm s ASP 63 N -0.49 6.29 0.00 2.29 1.01 0.24 -4.43 116.67 121.58 1upm s ASP 63 Ca -0.03 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.26 1upm s ASP 63 Cb -0.04 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1upm s ASP 63 CO -0.00 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.39 1upm n GLY 64 N -2.23 0.81 0.19 0.21 0.00 -1.26 -1.49 105.19 101.42 1upm n GLY 64 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 3.98 0.64 -6.36 1.61 3.08 -1.93 -3.43 114.38 111.98 1upm h ARG 65 Ca 0.00 -0.63 -0.55 0.00 0.07 0.00 0.00 59.98 58.88 1upm h ARG 65 Cb 0.00 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1upm h ARG 65 CO 0.00 1.23 0.62 0.71 -1.07 0.00 0.00 179.97 181.46 1upm s TYR 66 N -3.44 3.32 0.19 3.04 2.02 -1.26 -5.06 117.35 116.16 1upm s TYR 66 Ca -0.11 1.31 0.02 0.00 -0.37 0.00 0.00 57.07 57.93 1upm s TYR 66 Cb 0.06 -3.37 0.02 0.00 -0.40 0.00 0.00 41.96 38.27 1upm s TYR 66 CO 0.89 -1.09 0.19 0.91 -1.57 0.00 0.00 175.55 174.87 1upm n TRP 67 N 4.73 -1.85 -4.17 2.71 7.02 -1.26 -5.10 117.44 119.51 1upm n TRP 67 Ca 0.10 -0.74 -0.35 0.00 -1.02 0.00 0.00 57.50 55.49 1upm n TRP 67 Cb 0.47 -0.16 -0.09 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 -0.60 4.69 0.05 -0.99 -1.32 -0.46 -4.89 115.64 112.12 1upm s THR 68 Ca 0.14 -0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.22 1upm s THR 68 Cb -0.01 -3.03 -0.07 0.00 -1.51 0.00 0.00 72.50 67.88 1upm s THR 68 CO 0.09 0.57 1.47 -0.32 -2.21 0.00 0.00 174.62 174.22 1upm s MET 69 N -0.59 4.27 -0.48 7.08 1.75 -1.26 -1.34 119.30 128.73 1upm s MET 69 Ca 0.11 2.10 -0.27 0.00 -1.25 0.00 0.00 55.69 56.37 1upm s MET 69 Cb -0.12 -3.48 0.03 0.00 2.84 0.00 0.00 34.83 34.10 1upm s MET 69 CO 0.02 -0.58 1.04 -0.46 -0.65 0.00 0.00 175.02 174.39 1upm s TRP 70 N 2.07 2.85 0.00 4.11 -0.11 -0.40 -4.90 118.94 122.55 1upm s TRP 70 Ca 0.67 0.52 0.00 0.00 1.22 0.00 0.00 56.10 58.51 1upm s TRP 70 Cb -0.35 -4.23 0.00 0.00 -1.50 0.00 0.00 33.47 27.39 1upm s TRP 70 CO 0.29 -1.22 0.00 1.63 -4.62 0.00 0.00 176.95 173.03 1upm n LYS 71 N 7.56 0.00 -4.28 5.86 5.02 -1.26 -4.55 118.16 126.51 1upm n LYS 71 Ca 0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 1upm n LYS 71 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.40 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 2.45 0.28 -0.35 1.43 -1.26 -5.10 118.68 116.13 1upm s LEU 72 Ca 0.00 -1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 51.75 1upm s LEU 72 Cb 0.00 -0.36 -0.14 0.00 0.03 0.00 0.00 46.19 45.72 1upm s LEU 72 CO 0.00 -0.36 1.05 -2.65 0.23 0.00 0.00 176.35 174.62 1upm n PRO 73 N -0.28 1.42 -2.28 1.29 -0.02 -1.26 -4.82 135.00 129.05 1upm n PRO 73 Ca -0.09 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 1upm n PRO 73 Cb 0.61 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 0.81 3.52 -1.85 -0.52 2.81 -0.20 -4.98 117.12 116.71 1upm n MET 74 Ca 0.10 -3.42 -0.41 0.00 -1.81 0.00 0.00 57.70 52.15 1upm n MET 74 Cb 0.32 -2.97 -0.00 0.00 -0.71 0.00 0.00 33.22 29.85 1upm n MET 74 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1upm s PHE 75 N 0.76 2.66 0.00 2.03 0.08 -1.26 -1.78 117.98 120.47 1upm s PHE 75 Ca 0.41 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1upm s PHE 75 Cb 0.10 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 1upm s PHE 75 CO -0.01 -2.87 0.00 0.41 -0.10 0.00 0.00 175.22 172.66 1upm n GLY 76 N 0.60 0.29 3.76 4.36 0.00 -1.26 -5.00 105.19 107.94 1upm n GLY 76 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 1.28 0.00 -4.04 0.00 -2.24 -1.26 -5.01 114.28 103.01 1upm n THR 78 Ca 0.02 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1upm n THR 78 Cb 0.42 1.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.99 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 -0.05 3.93 0.55 3.42 2.15 -1.26 -5.00 116.67 120.41 1upm s ASP 79 Ca 0.00 -0.91 0.23 0.00 0.43 0.00 0.00 52.55 52.30 1upm s ASP 79 Cb 0.00 -1.57 1.54 0.00 -0.30 0.00 0.00 42.92 42.59 1upm s ASP 79 CO 0.00 -0.10 2.20 1.55 -0.17 0.00 0.00 175.17 178.65 1upm h PRO 80 N 7.93 0.00 -0.27 4.34 0.13 -1.96 -1.54 132.00 140.62 1upm h PRO 80 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1upm h PRO 80 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1upm h PRO 80 CO 0.57 0.01 -0.05 0.00 -0.23 0.00 0.00 178.00 178.30 1upm h ALA 81 N 1.99 1.42 0.31 -0.56 0.00 -1.98 -2.09 119.26 118.34 1upm h ALA 81 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1upm h ALA 81 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1upm h ALA 81 CO 0.00 0.40 -0.25 1.96 0.00 0.00 0.00 179.25 181.37 1upm h GLN 82 N 0.40 -0.54 -0.32 0.00 4.20 -1.71 0.07 115.11 117.21 1upm h GLN 82 Ca 0.09 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.90 1upm h GLN 82 Cb 0.34 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 1upm h GLN 82 CO 0.01 -0.36 -0.11 0.28 -0.67 0.00 0.00 178.83 177.98 1upm h VAL 83 N -0.56 0.61 -0.57 -0.54 2.07 -1.57 -0.49 116.25 115.21 1upm h VAL 83 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1upm h VAL 83 Cb 0.50 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1upm h VAL 83 CO -0.02 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.74 1upm h LEU 84 N -0.04 0.74 -0.12 2.57 3.38 -1.36 -1.12 115.31 119.35 1upm h LEU 84 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1upm h LEU 84 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1upm h LEU 84 CO -0.36 0.66 0.06 -1.13 0.09 0.00 0.00 178.44 177.76 1upm h ASN 85 N 0.80 0.17 -0.73 -0.43 -0.73 -0.32 -2.02 115.58 112.32 1upm h ASN 85 Ca 0.19 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1upm h ASN 85 Cb 0.14 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.65 1upm h ASN 85 CO -0.02 0.26 0.41 -0.33 -0.37 0.00 0.00 177.43 177.38 1upm h GLU 86 N 0.06 1.03 -0.79 6.67 4.39 -0.68 -1.17 114.58 124.09 1upm h GLU 86 Ca 0.04 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 59.70 1upm h GLU 86 Cb 0.14 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 1upm h GLU 86 CO -0.00 0.75 0.47 1.25 -1.16 0.00 0.00 179.01 180.32 1upm h LEU 87 N 1.04 0.71 -0.95 1.33 5.85 -1.10 0.13 115.31 122.32 1upm h LEU 87 Ca 0.26 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 1upm h LEU 87 Cb 0.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1upm h LEU 87 CO -0.04 0.44 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.99 1upm h GLU 88 N 0.84 0.56 -0.20 1.25 4.39 -0.58 -1.04 114.58 119.80 1upm h GLU 88 Ca 0.36 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 1upm h GLU 88 Cb 0.23 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1upm h GLU 88 CO -0.20 0.71 -0.17 1.49 -1.16 0.00 0.00 179.01 179.69 1upm h GLU 89 N 0.51 0.47 -0.52 2.33 4.81 -0.34 -2.18 114.58 119.65 1upm h GLU 89 Ca 0.08 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1upm h GLU 89 Cb 0.59 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1upm h GLU 89 CO 0.04 0.80 0.25 0.00 -0.73 0.00 0.00 179.01 179.37 1upm h LYS 91 N 0.49 1.04 -0.30 0.00 1.57 -1.14 0.21 116.57 118.44 1upm h LYS 91 Ca 0.23 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1upm h LYS 91 Cb 0.16 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1upm h LYS 91 CO -0.17 0.69 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.80 1upm h LYS 92 N 1.07 0.69 0.09 3.15 3.64 -1.04 -2.16 116.57 122.01 1upm h LYS 92 Ca 0.35 -0.34 -0.26 0.00 -1.27 0.00 0.00 60.65 59.13 1upm h LYS 92 Cb 0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1upm h LYS 92 CO -0.13 0.95 -1.20 1.49 -2.27 0.00 0.00 179.45 178.30 1upm h GLU 93 N 0.57 0.19 -2.10 1.90 4.81 -1.08 -3.39 114.58 115.48 1upm h GLU 93 Ca 0.05 -0.32 -0.58 0.00 -0.13 0.00 0.00 59.36 58.38 1upm h GLU 93 Cb 0.90 0.12 -0.41 0.00 0.63 0.00 0.00 28.75 29.99 1upm h GLU 93 CO 0.08 1.14 -0.85 0.66 -0.73 0.00 0.00 179.01 179.31 1upm n TYR 94 N -3.47 1.72 0.31 0.92 4.01 0.70 -4.93 117.16 116.43 1upm n TYR 94 Ca -0.07 -3.87 0.16 0.00 -0.16 0.00 0.00 57.90 53.96 1upm n TYR 94 Cb 1.00 -0.46 0.72 0.00 -0.31 0.00 0.00 39.34 40.29 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 4.01 0.00 -0.33 -0.72 0.13 -1.60 -2.46 132.00 131.04 1upm h PRO 95 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 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 0.65 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.69 1upm n ASN 96 N -2.75 2.65 -4.84 1.44 6.94 -1.26 -4.55 115.26 112.89 1upm n ASN 96 Ca 0.00 -1.89 -0.22 0.00 -0.02 0.00 0.00 54.58 52.46 1upm n ASN 96 Cb 0.21 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 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 -1.58 3.65 0.11 -2.53 0.00 -0.93 -4.76 121.76 115.73 1upm s ALA 97 Ca 0.35 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 1upm s ALA 97 Cb 0.20 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 1upm s ALA 97 CO 0.28 0.21 0.78 -0.06 0.00 0.00 0.00 175.76 176.97 1upm s PHE 98 N -2.16 3.83 -0.10 0.00 0.08 -0.02 -3.54 117.98 116.07 1upm s PHE 98 Ca 0.34 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.98 1upm s PHE 98 Cb -0.08 -2.80 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1upm s PHE 98 CO 0.25 0.40 -0.13 0.42 -0.10 0.00 0.00 175.22 176.06 1upm s ILE 99 N -0.62 1.34 0.20 0.64 1.01 -0.78 -1.36 121.20 121.64 1upm s ILE 99 Ca 0.37 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.59 1upm s ILE 99 Cb -0.22 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1upm s ILE 99 CO 0.25 0.41 -0.19 0.00 0.00 0.00 0.00 174.94 175.41 1upm s ARG 100 N 1.08 1.69 -0.17 2.79 1.70 -0.46 -0.43 118.95 125.15 1upm s ARG 100 Ca -0.06 -1.49 -0.06 0.00 -0.47 0.00 0.00 55.73 53.65 1upm s ARG 100 Cb -0.15 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.28 1upm s ARG 100 CO -0.02 0.40 0.03 0.42 -1.08 0.00 0.00 175.30 175.05 1upm s ILE 101 N -1.80 4.52 0.26 4.99 1.01 -0.49 -1.78 121.20 127.91 1upm s ILE 101 Ca 0.23 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.85 1upm s ILE 101 Cb -0.08 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1upm s ILE 101 CO 0.12 0.47 -0.15 0.27 0.00 0.00 0.00 174.94 175.66 1upm s ILE 102 N 0.35 2.08 -0.03 2.92 -4.36 -0.25 -1.82 121.20 120.08 1upm s ILE 102 Ca 0.01 -2.28 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1upm s ILE 102 Cb -0.13 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.32 1upm s ILE 102 CO 0.01 -0.42 -0.01 -0.83 0.24 0.00 0.00 174.94 173.92 1upm s GLY 103 N -3.45 0.28 -0.08 6.27 0.00 -0.80 -1.23 107.32 108.32 1upm s GLY 103 Ca 0.28 0.10 -0.09 0.00 0.00 0.00 0.00 44.72 45.01 1upm s GLY 103 CO 0.12 0.50 0.22 -1.36 0.00 0.00 0.00 173.10 172.58 1upm s PHE 104 N 0.90 3.63 -0.32 1.90 0.08 0.41 -0.80 117.98 123.79 1upm s PHE 104 Ca -0.10 0.65 -0.08 0.00 0.12 0.00 0.00 56.93 57.52 1upm s PHE 104 Cb -0.13 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1upm s PHE 104 CO -0.01 0.71 0.11 0.34 -0.10 0.00 0.00 175.22 176.27 1upm s ASP 105 N -1.10 5.31 0.40 1.36 -1.08 -0.78 -0.89 116.67 119.89 1upm s ASP 105 Ca 0.18 -0.81 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 1upm s ASP 105 Cb -0.13 -1.92 0.49 0.00 -1.46 0.00 0.00 42.92 39.90 1upm s ASP 105 CO 0.07 -0.25 1.66 0.77 0.52 0.00 0.00 175.17 177.95 1upm h SER 106 N 8.28 0.00 0.13 -0.34 4.64 -1.93 0.56 113.55 124.89 1upm h SER 106 Ca -0.29 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.80 1upm h SER 106 Cb 1.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1upm h SER 106 CO 0.61 0.00 -0.88 0.78 -0.87 0.00 0.00 176.83 176.47 1upm h ASN 107 N 0.00 0.71 0.38 4.97 2.35 -1.96 -3.27 115.58 118.76 1upm h ASN 107 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1upm h ASN 107 Cb 0.92 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1upm h ASN 107 CO 0.00 1.31 -1.25 0.54 -1.65 0.00 0.00 177.43 176.37 1upm n ARG 108 N -3.83 0.40 -3.74 0.81 1.74 -1.08 -5.00 116.66 105.96 1upm n ARG 108 Ca -0.07 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.67 1upm n ARG 108 Cb 0.80 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 -2.11 -1.78 -3.83 5.56 2.13 0.19 -5.01 120.64 115.80 1upm n GLU 109 Ca 0.00 0.45 -0.13 0.00 0.66 0.00 0.00 57.16 58.14 1upm n GLU 109 Cb 0.48 -4.21 -0.15 0.00 0.27 0.00 0.00 31.44 27.82 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 -3.57 -0.02 0.01 6.31 1.01 -1.15 -5.01 120.40 117.98 1upm s VAL 110 Ca 0.36 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1upm s VAL 110 Cb -0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1upm s VAL 110 CO 0.87 0.04 1.32 -1.10 0.00 0.00 0.00 175.10 176.22 1upm s GLN 111 N 0.46 4.33 -0.01 2.72 -0.21 -1.26 -1.87 119.66 123.81 1upm s GLN 111 Ca -0.04 1.88 0.19 0.00 0.02 0.00 0.00 55.36 57.41 1upm s GLN 111 Cb -0.05 -3.49 -0.25 0.00 1.00 0.00 0.00 33.01 30.22 1upm s GLN 111 CO -0.01 -0.48 0.64 0.00 -2.12 0.00 0.00 175.29 173.32 1upm s ILE 113 N -3.03 0.87 -0.29 0.00 -1.09 -1.16 -4.96 121.20 111.54 1upm s ILE 113 Ca 0.01 -0.45 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 1upm s ILE 113 Cb 0.14 -0.74 0.11 0.00 -1.58 0.00 0.00 42.46 40.39 1upm s ILE 113 CO 0.79 0.25 0.65 -0.55 -1.23 0.00 0.00 174.94 174.85 1upm s SER 114 N -0.14 -1.03 0.04 3.58 0.15 -1.26 -1.90 113.70 113.14 1upm s SER 114 Ca 0.02 1.52 -0.20 0.00 0.70 0.00 0.00 55.95 57.99 1upm s SER 114 Cb -0.05 1.93 0.04 0.00 -1.71 0.00 0.00 66.02 66.23 1upm s SER 114 CO -0.00 -0.23 0.46 0.72 1.20 0.00 0.00 173.24 175.40 1upm s PHE 115 N 2.44 -0.35 -0.00 3.44 -0.12 -0.76 -4.40 117.98 118.23 1upm s PHE 115 Ca -0.07 0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 56.89 1upm s PHE 115 Cb -0.10 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1upm s PHE 115 CO -0.19 -0.59 1.02 -1.50 -0.05 0.00 0.00 175.22 173.91 1upm s ILE 116 N -2.30 4.74 -0.04 -4.49 1.10 -1.26 -1.40 121.20 117.54 1upm s ILE 116 Ca -0.06 1.97 0.09 0.00 -0.51 0.00 0.00 60.65 62.14 1upm s ILE 116 Cb -0.01 -4.26 -0.14 0.00 0.15 0.00 0.00 42.46 38.20 1upm s ILE 116 CO -0.01 0.14 0.14 0.00 -2.11 0.00 0.00 174.94 173.10 1upm n ALA 117 N 4.04 2.13 -3.27 1.50 0.00 0.43 -4.93 120.51 120.41 1upm n ALA 117 Ca 0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1upm n ALA 117 Cb 0.50 -0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.50 -0.30 -0.01 0.00 5.04 -0.92 -5.01 117.35 113.66 1upm s TYR 118 Ca -0.04 0.60 0.03 0.00 -2.44 0.00 0.00 57.07 55.21 1upm s TYR 118 Cb 0.05 0.13 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 1upm s TYR 118 CO 0.39 -0.34 -0.09 0.15 -1.34 0.00 0.00 175.55 174.33 1upm s LYS 119 N -0.77 0.71 1.14 4.97 1.02 -1.26 -1.86 119.74 123.68 1upm s LYS 119 Ca -0.09 -0.30 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 1upm s LYS 119 Cb -0.04 -0.68 0.26 0.00 -0.52 0.00 0.00 37.83 36.85 1upm s LYS 119 CO 0.03 0.18 1.17 -1.25 -0.92 0.00 0.00 175.35 174.57 1upm s PRO 120 N -0.17 -0.72 0.17 -1.68 0.04 -1.23 -4.89 135.00 126.52 1upm s PRO 120 Ca 0.03 -0.19 -0.33 0.00 0.04 0.00 0.00 61.00 60.55 1upm s PRO 120 Cb -0.04 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.71 1upm s PRO 120 CO -0.00 -3.35 1.68 0.00 0.04 0.00 0.00 177.00 175.36 1upm n ALA 121 N -4.48 2.11 -0.49 8.56 0.00 -1.26 -2.46 120.51 122.49 1upm n ALA 121 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1upm n ALA 121 Cb 0.59 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 3.79 0.75 0.00 0.00 0.00 -1.26 -5.17 105.19 103.30 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