#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 3.31 -0.22 2.12 0.74 -1.26 -5.09 119.66 119.26 1upm s GLN 2 Ca 0.00 -0.24 -0.11 0.00 0.05 0.00 0.00 55.36 55.05 1upm s GLN 2 Cb 0.00 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 1upm s GLN 2 CO 0.00 0.74 0.19 0.08 -0.55 0.00 0.00 175.29 175.75 1upm s VAL 3 N -1.05 5.34 -0.15 1.34 1.01 -1.26 -5.04 120.40 120.59 1upm s VAL 3 Ca 0.17 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1upm s VAL 3 Cb -0.12 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1upm s VAL 3 CO 0.06 0.35 1.44 0.86 0.00 0.00 0.00 175.10 177.81 1upm s TRP 4 N 0.95 2.45 1.09 5.22 -0.11 -1.26 -4.95 118.94 122.33 1upm s TRP 4 Ca 0.10 0.67 -0.15 0.00 1.22 0.00 0.00 56.10 57.94 1upm s TRP 4 Cb -0.13 -3.74 0.17 0.00 -1.50 0.00 0.00 33.47 28.27 1upm s TRP 4 CO 0.04 -2.55 0.55 -2.30 -4.62 0.00 0.00 176.95 168.07 1upm n PRO 5 N 6.99 -1.60 0.00 5.86 -0.02 -1.26 -4.99 135.00 139.98 1upm n PRO 5 Ca 0.16 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1upm n PRO 5 Cb 0.44 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 -4.49 0.00 -3.89 4.25 0.13 -1.26 -4.94 119.36 109.16 1upm n ILE 6 Ca 0.04 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.33 1upm n ILE 6 Cb 0.57 -0.72 -0.07 0.00 -0.84 0.00 0.00 39.64 38.58 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 -3.51 4.23 -1.32 9.51 1.02 -1.26 -4.40 118.68 122.95 1upm s LEU 7 Ca 0.00 0.35 -0.04 0.00 0.02 0.00 0.00 54.13 54.46 1upm s LEU 7 Cb 0.00 -2.05 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 1upm s LEU 7 CO 0.00 0.33 0.57 0.59 0.02 0.00 0.00 176.35 177.87 1upm n ASN 8 N 2.51 -1.60 -1.96 2.29 5.03 -1.26 -4.88 115.26 115.39 1upm n ASN 8 Ca -0.19 -0.95 -0.10 0.00 0.87 0.00 0.00 54.58 54.21 1upm n ASN 8 Cb 0.54 -3.42 0.06 0.00 -1.02 0.00 0.00 39.78 35.94 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 -4.31 3.26 -4.78 3.41 7.99 -1.26 -5.06 117.00 116.25 1upm n LEU 9 Ca -0.26 -3.87 -0.41 0.00 -0.01 0.00 0.00 56.01 51.46 1upm n LEU 9 Cb 0.66 -0.11 -0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1upm n LEU 9 CO 0.71 1.54 1.09 -0.54 -1.51 0.00 0.00 177.39 178.69 1upm s LYS 10 N -3.25 4.14 0.40 3.23 -0.14 -1.26 -5.03 119.74 117.83 1upm s LYS 10 Ca 0.41 2.47 0.04 0.00 -1.36 0.00 0.00 55.97 57.53 1upm s LYS 10 Cb 0.38 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 1upm s LYS 10 CO -0.02 -0.47 0.05 0.15 -0.76 0.00 0.00 175.35 174.30 1upm s LYS 11 N -2.05 1.89 -0.13 1.68 -0.14 -1.26 -5.09 119.74 114.64 1upm s LYS 11 Ca 0.52 -2.11 0.23 0.00 -1.36 0.00 0.00 55.97 53.25 1upm s LYS 11 Cb -0.45 -1.14 0.45 0.00 -1.68 0.00 0.00 37.83 35.01 1upm s LYS 11 CO 0.60 -0.24 1.15 0.66 -0.76 0.00 0.00 175.35 176.76 1upm n TYR 12 N -0.92 0.48 -4.82 3.18 4.02 -1.26 -5.10 117.16 112.74 1upm n TYR 12 Ca -0.07 -1.29 0.00 0.00 -0.01 0.00 0.00 57.90 56.53 1upm n TYR 12 Cb 0.66 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 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 -0.10 0.00 -1.65 -0.72 -0.58 -1.26 -4.58 120.64 111.75 1upm n GLU 13 Ca 0.04 0.00 -0.56 0.00 -0.42 0.00 0.00 57.16 56.22 1upm n GLU 13 Cb 0.96 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.76 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 0.15 -0.08 2.62 -1.04 -1.26 -1.75 114.28 112.92 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 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 3.95 0.00 0.00 -4.42 4.77 -1.26 -4.62 117.00 115.43 1upm n LEU 15 Ca 0.23 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.35 1upm n LEU 15 Cb 0.14 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.92 1upm n LEU 15 CO 0.73 0.00 0.98 -1.54 -1.33 0.00 0.00 177.39 176.23 1upm n SER 16 N 0.00 0.00 -0.50 -1.43 3.41 -0.72 -1.76 113.62 112.62 1upm n SER 16 Ca 0.00 0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 1upm n SER 16 Cb 0.00 -0.37 0.49 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.37 0.05 -2.71 7.33 4.02 -1.26 -4.84 117.16 118.39 1upm n TYR 17 Ca 0.11 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.90 57.77 1upm n TYR 17 Cb 0.27 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.62 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 -1.90 3.34 0.79 7.72 1.43 -0.72 -5.08 118.68 124.26 1upm s LEU 18 Ca 0.37 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 1upm s LEU 18 Cb 0.20 -2.87 0.07 0.00 0.03 0.00 0.00 46.19 43.62 1upm s LEU 18 CO 0.32 -1.07 1.21 -2.84 0.23 0.00 0.00 176.35 174.20 1upm s PRO 19 N -4.71 1.75 0.16 1.29 0.02 -1.26 -4.90 135.00 127.35 1upm s PRO 19 Ca 0.56 1.76 -0.34 0.00 0.02 0.00 0.00 61.00 63.00 1upm s PRO 19 Cb -0.10 -1.79 -0.15 0.00 0.02 0.00 0.00 34.50 32.48 1upm s PRO 19 CO 0.38 -2.13 1.39 -2.30 -0.33 0.00 0.00 177.00 174.01 1upm n PRO 20 N -3.17 1.65 -1.68 5.54 -0.02 -1.26 -4.86 135.00 131.21 1upm n PRO 20 Ca 0.13 0.59 -0.45 0.00 -2.02 0.00 0.00 63.50 61.75 1upm n PRO 20 Cb 0.50 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.61 3.42 -4.66 2.45 4.77 -1.26 -5.00 117.00 119.32 1upm n LEU 21 Ca 0.16 1.04 -0.29 0.00 -0.03 0.00 0.00 56.01 56.89 1upm n LEU 21 Cb 0.26 -1.45 0.19 0.00 -2.33 0.00 0.00 43.42 40.09 1upm n LEU 21 CO 0.62 -0.11 0.64 0.42 -1.33 0.00 0.00 177.39 177.63 1upm s THR 22 N 1.95 1.92 0.22 -5.08 -4.23 -1.26 -4.82 115.64 104.35 1upm s THR 22 Ca 0.82 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.26 1upm s THR 22 Cb -0.63 -2.51 0.13 0.00 1.34 0.00 0.00 72.50 70.84 1upm s THR 22 CO 0.40 0.00 1.75 0.71 -0.54 0.00 0.00 174.62 176.95 1upm h THR 23 N -2.04 1.26 -0.83 3.99 1.35 -1.99 -0.48 112.91 114.16 1upm h THR 23 Ca -0.53 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.38 1upm h THR 23 Cb 1.33 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 1upm h THR 23 CO 0.53 0.35 0.37 0.44 -0.25 0.00 0.00 175.52 176.96 1upm h ASP 24 N 1.05 1.11 -0.60 5.36 3.32 -1.99 -1.30 116.42 123.36 1upm h ASP 24 Ca 0.22 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1upm h ASP 24 Cb 0.32 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1upm h ASP 24 CO -0.00 0.96 -0.02 1.56 -1.72 0.00 0.00 179.24 180.01 1upm h GLN 25 N 1.19 1.08 0.17 3.56 4.20 -1.72 -1.93 115.11 121.65 1upm h GLN 25 Ca 0.28 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1upm h GLN 25 Cb 0.17 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1upm h GLN 25 CO -0.03 1.06 -0.10 1.25 -0.67 0.00 0.00 178.83 180.34 1upm h LEU 26 N 0.98 -0.25 -0.85 1.46 5.85 -1.01 -2.14 115.31 119.35 1upm h LEU 26 Ca 0.17 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.12 1upm h LEU 26 Cb 0.59 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.56 1upm h LEU 26 CO 0.03 -0.17 0.24 0.00 -0.34 0.00 0.00 178.44 178.21 1upm h ALA 27 N 0.57 1.23 -0.06 1.25 0.00 -1.15 -1.73 119.26 119.37 1upm h ALA 27 Ca -0.02 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1upm h ALA 27 Cb 0.22 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1upm h ALA 27 CO 0.02 -0.42 -0.60 0.00 0.00 0.00 0.00 179.25 178.24 1upm h ARG 28 N 0.25 0.20 -0.44 0.00 3.08 -0.90 -0.86 114.38 115.72 1upm h ARG 28 Ca 0.53 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 1upm h ARG 28 Cb 1.02 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1upm h ARG 28 CO -0.61 0.74 0.14 1.96 -1.07 0.00 0.00 179.97 181.14 1upm h GLN 29 N 0.15 0.67 -0.79 0.04 1.08 -0.70 -1.09 115.11 114.46 1upm h GLN 29 Ca -0.01 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1upm h GLN 29 Cb 1.10 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.39 1upm h GLN 29 CO 0.09 0.65 0.52 0.28 -0.95 0.00 0.00 178.83 179.42 1upm h VAL 30 N 0.56 1.19 -0.45 -0.54 2.07 -1.18 -2.02 116.25 115.88 1upm h VAL 30 Ca 0.14 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1upm h VAL 30 Cb 0.25 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1upm h VAL 30 CO -0.01 0.19 0.28 0.44 0.02 0.00 0.00 177.57 178.50 1upm h ASP 31 N 1.06 0.47 -1.00 0.57 3.32 -0.98 -1.44 116.42 118.43 1upm h ASP 31 Ca 0.30 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.38 1upm h ASP 31 Cb -0.10 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 1upm h ASP 31 CO -0.07 0.34 0.66 0.22 -1.72 0.00 0.00 179.24 178.66 1upm h TYR 32 N 0.57 1.23 -0.05 4.55 3.20 -0.92 0.38 116.97 125.93 1upm h TYR 32 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1upm h TYR 32 Cb -0.03 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 37.83 1upm h TYR 32 CO -0.06 0.70 -0.00 1.25 -1.64 0.00 0.00 178.16 178.41 1upm h LEU 33 N 1.26 0.08 -1.07 2.82 5.85 -0.96 -2.63 115.31 120.65 1upm h LEU 33 Ca 0.40 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1upm h LEU 33 Cb 0.02 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1upm h LEU 33 CO -0.13 0.39 0.27 -0.07 -0.34 0.00 0.00 178.44 178.55 1upm h LEU 34 N -0.23 0.85 -1.60 2.25 3.38 -0.99 -2.71 115.31 116.26 1upm h LEU 34 Ca 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1upm h LEU 34 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1upm h LEU 34 CO 0.00 0.75 -0.16 0.78 0.09 0.00 0.00 178.44 179.90 1upm h ASN 35 N 0.92 0.00 -0.19 -0.43 2.35 -0.21 -0.40 115.58 117.62 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 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1upm h ASN 35 CO -0.02 0.16 0.00 0.59 -1.65 0.00 0.00 177.43 176.51 1upm n ASN 36 N -3.51 1.55 -3.04 5.81 3.02 -1.00 -4.94 115.26 113.14 1upm n ASN 36 Ca -0.01 -1.76 -0.19 0.00 -0.03 0.00 0.00 54.58 52.58 1upm n ASN 36 Cb 0.32 -0.13 0.07 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 0.27 -6.53 -3.65 3.52 5.02 -0.16 -5.01 118.16 111.62 1upm n LYS 37 Ca 0.15 0.68 -0.29 0.00 -2.02 0.00 0.00 58.31 56.83 1upm n LYS 37 Cb 0.29 -5.28 -0.04 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.26 3.48 -0.14 2.13 0.51 -1.05 -4.95 118.94 115.66 1upm s TRP 38 Ca 0.46 0.44 -0.24 0.00 -2.12 0.00 0.00 56.10 54.64 1upm s TRP 38 Cb -0.20 -1.93 -0.03 0.00 -0.81 0.00 0.00 33.47 30.51 1upm s TRP 38 CO 0.60 0.38 0.74 0.08 -0.51 0.00 0.00 176.95 178.23 1upm s VAL 39 N -1.82 4.97 0.35 4.03 1.01 -0.28 -4.61 120.40 124.06 1upm s VAL 39 Ca 0.40 1.46 -0.24 0.00 0.00 0.00 0.00 61.98 63.59 1upm s VAL 39 Cb -0.11 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1upm s VAL 39 CO 0.28 0.13 0.94 -2.16 0.00 0.00 0.00 175.10 174.29 1upm s PRO 40 N 1.59 4.47 -0.11 2.72 0.04 -1.26 -0.06 135.00 142.40 1upm s PRO 40 Ca 0.36 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 1upm s PRO 40 Cb -0.17 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.79 1upm s PRO 40 CO 0.14 0.19 0.37 0.00 0.04 0.00 0.00 177.00 177.74 1upm s LEU 42 N -0.22 4.07 0.02 0.00 1.43 -1.26 -0.85 118.68 121.87 1upm s LEU 42 Ca -0.04 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1upm s LEU 42 Cb -0.03 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1upm s LEU 42 CO 0.02 0.23 -0.08 -1.61 0.23 0.00 0.00 176.35 175.13 1upm s GLU 43 N -2.06 0.59 0.15 1.70 2.02 -0.75 -1.47 118.70 118.88 1upm s GLU 43 Ca 0.27 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1upm s GLU 43 Cb -0.12 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 1upm s GLU 43 CO 0.19 0.12 0.03 -0.59 0.02 0.00 0.00 175.26 175.03 1upm s PHE 44 N -0.79 1.04 -0.29 1.61 -0.71 -0.11 -1.38 117.98 117.36 1upm s PHE 44 Ca -0.03 -1.12 -0.14 0.00 -1.04 0.00 0.00 56.93 54.61 1upm s PHE 44 Cb -0.07 -0.59 0.10 0.00 -1.21 0.00 0.00 43.02 41.25 1upm s PHE 44 CO 0.00 -0.35 0.68 -2.00 -1.34 0.00 0.00 175.22 172.21 1upm s GLU 45 N -3.97 0.66 -0.13 1.99 2.56 -0.61 -1.04 118.70 118.15 1upm s GLU 45 Ca 0.24 1.30 0.15 0.00 0.00 0.00 0.00 54.97 56.66 1upm s GLU 45 Cb 0.07 0.40 -0.21 0.00 2.00 0.00 0.00 34.13 36.39 1upm s GLU 45 CO 0.03 -0.17 0.12 0.25 -0.56 0.00 0.00 175.26 174.93 1upm n THR 46 N 4.71 0.89 -0.13 -1.70 -2.24 -1.26 -0.78 114.28 113.78 1upm n THR 46 Ca -0.17 -0.63 -0.25 0.00 -2.27 0.00 0.00 64.05 60.73 1upm n THR 46 Cb 0.55 -0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.50 1.92 -3.98 3.42 8.00 -1.26 -4.75 116.55 117.41 1upm n ASP 47 Ca -0.22 0.33 -0.31 0.00 0.71 0.00 0.00 54.79 55.30 1upm n ASP 47 Cb 0.92 -0.79 -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 -2.58 3.60 0.53 1.24 3.76 -1.26 -4.94 115.29 115.64 1upm s HIS 48 Ca -0.36 -3.19 0.18 0.00 -0.15 0.00 0.00 55.06 51.53 1upm s HIS 48 Cb 0.13 -2.91 1.33 0.00 1.11 0.00 0.00 32.58 32.24 1upm s HIS 48 CO 0.47 -0.64 2.15 0.78 -0.85 0.00 0.00 174.74 176.64 1upm h GLY 49 N 5.82 0.00 -2.06 -2.22 0.00 -1.89 -3.44 103.07 99.28 1upm h GLY 49 Ca 0.11 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.86 1upm h GLY 49 CO 0.75 0.00 -0.69 -1.36 0.00 0.00 0.00 176.54 175.24 1upm s PHE 50 N -5.03 2.26 0.57 5.60 0.08 -1.26 -5.12 117.98 115.09 1upm s PHE 50 Ca -0.05 -0.53 -0.15 0.00 0.12 0.00 0.00 56.93 56.32 1upm s PHE 50 Cb 0.17 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 1upm s PHE 50 CO 0.66 0.52 1.03 0.14 -0.10 0.00 0.00 175.22 177.47 1upm s VAL 51 N -2.71 4.13 0.34 -0.44 -7.23 -1.26 -4.77 120.40 108.46 1upm s VAL 51 Ca 0.31 0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 61.31 1upm s VAL 51 Cb 0.02 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 33.46 1upm s VAL 51 CO 0.15 -0.63 0.70 -0.72 -0.31 0.00 0.00 175.10 174.30 1upm s TYR 52 N -2.59 0.17 -0.46 2.82 1.13 -0.80 -5.01 117.35 112.62 1upm s TYR 52 Ca 0.61 -0.71 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 1upm s TYR 52 Cb -0.13 0.64 0.16 0.00 -1.10 0.00 0.00 41.96 41.52 1upm s TYR 52 CO 0.37 -1.38 0.32 1.03 -2.51 0.00 0.00 175.55 173.38 1upm s ARG 53 N -3.00 1.19 -0.23 -3.49 0.52 -1.26 -0.58 118.95 112.10 1upm s ARG 53 Ca 0.17 -2.15 -0.17 0.00 -0.52 0.00 0.00 55.73 53.06 1upm s ARG 53 Cb -0.04 -1.96 -0.17 0.00 0.52 0.00 0.00 34.95 33.30 1upm s ARG 53 CO 0.11 -1.28 -0.01 -1.91 0.02 0.00 0.00 175.30 172.23 1upm n GLU 54 N 3.10 0.58 0.03 3.54 2.13 -1.26 -4.68 120.64 124.08 1upm n GLU 54 Ca 0.20 0.43 0.11 0.00 0.66 0.00 0.00 57.16 58.56 1upm n GLU 54 Cb 0.40 -1.64 0.01 0.00 0.27 0.00 0.00 31.44 30.48 1upm n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1upm n HIS 55 N -4.29 0.29 -3.80 4.31 8.25 -1.26 -4.99 115.22 113.73 1upm n HIS 55 Ca -0.41 0.09 -0.05 0.00 -0.26 0.00 0.00 57.72 57.08 1upm n HIS 55 Cb 0.79 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 -3.22 -0.17 0.00 4.41 2.46 -1.26 -5.08 115.29 112.43 1upm s HIS 56 Ca 0.03 -0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.35 1upm s HIS 56 Cb 0.14 0.67 0.00 0.00 -0.13 0.00 0.00 32.58 33.26 1upm s HIS 56 CO 0.81 -1.02 0.06 0.09 -2.47 0.00 0.00 174.74 172.21 1upm n ASN 57 N -0.46 0.00 -4.74 9.88 3.02 -1.26 -4.82 115.26 116.87 1upm n ASN 57 Ca -0.05 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.21 1upm n ASN 57 Cb 0.60 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.91 1upm n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1upm s SER 58 N 0.00 3.43 0.11 6.41 1.04 -1.26 -4.90 113.70 118.54 1upm s SER 58 Ca 0.00 1.22 -0.33 0.00 0.48 0.00 0.00 55.95 57.32 1upm s SER 58 Cb 0.00 -1.88 -0.13 0.00 0.10 0.00 0.00 66.02 64.11 1upm s SER 58 CO 0.00 -2.63 1.68 -2.65 0.98 0.00 0.00 173.24 170.62 1upm n PRO 59 N -3.85 2.29 -0.79 4.02 -0.02 -1.26 -2.25 135.00 133.14 1upm n PRO 59 Ca 0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1upm n PRO 59 Cb 0.57 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.75 0.85 3.66 -1.23 0.00 -1.26 -5.02 105.19 105.94 1upm n GLY 60 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.33 3.34 0.01 1.61 6.14 -0.95 -5.07 117.35 119.10 1upm s TYR 61 Ca 0.00 0.54 0.01 0.00 0.64 0.00 0.00 57.07 58.26 1upm s TYR 61 Cb 0.00 -2.51 -0.01 0.00 0.42 0.00 0.00 41.96 39.86 1upm s TYR 61 CO 0.00 -0.05 -0.03 0.71 0.64 0.00 0.00 175.55 176.82 1upm s TYR 62 N 1.46 0.27 0.55 4.97 2.02 -1.26 -4.77 117.35 120.59 1upm s TYR 62 Ca 0.17 -0.21 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1upm s TYR 62 Cb -0.15 -0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.21 1upm s TYR 62 CO 0.08 -0.06 0.89 -0.51 -1.57 0.00 0.00 175.55 174.39 1upm s ASP 63 N -0.59 6.13 0.00 2.29 1.01 0.25 -4.47 116.67 121.29 1upm s ASP 63 Ca -0.05 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.28 1upm s ASP 63 Cb -0.04 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1upm s ASP 63 CO -0.00 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.22 1upm n GLY 64 N -2.49 0.96 0.17 0.21 0.00 -1.26 -1.91 105.19 100.87 1upm n GLY 64 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 3.71 0.55 -6.26 1.61 3.08 -1.93 -3.43 114.38 111.71 1upm h ARG 65 Ca 0.00 -0.67 -0.56 0.00 0.07 0.00 0.00 59.98 58.82 1upm h ARG 65 Cb 0.00 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1upm h ARG 65 CO 0.00 1.27 0.64 0.71 -1.07 0.00 0.00 179.97 181.53 1upm s TYR 66 N -3.11 3.37 0.47 3.04 2.02 -1.26 -5.05 117.35 116.81 1upm s TYR 66 Ca -0.08 1.43 0.06 0.00 -0.37 0.00 0.00 57.07 58.12 1upm s TYR 66 Cb 0.07 -3.29 0.06 0.00 -0.40 0.00 0.00 41.96 38.41 1upm s TYR 66 CO 0.91 -0.68 0.53 0.91 -1.57 0.00 0.00 175.55 175.65 1upm n TRP 67 N 5.21 -1.76 -3.99 2.71 7.02 -1.26 -5.10 117.44 120.28 1upm n TRP 67 Ca 0.10 -1.81 -0.36 0.00 -1.02 0.00 0.00 57.50 54.41 1upm n TRP 67 Cb 0.47 -0.42 -0.08 0.00 -2.42 0.00 0.00 31.31 28.87 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 -2.08 5.11 0.11 -0.99 -1.32 -0.21 -4.89 115.64 111.38 1upm s THR 68 Ca 0.40 0.07 -0.31 0.00 -1.21 0.00 0.00 61.69 60.64 1upm s THR 68 Cb -0.03 -3.24 -0.07 0.00 -1.51 0.00 0.00 72.50 67.65 1upm s THR 68 CO 0.26 0.57 1.32 -0.32 -2.21 0.00 0.00 174.62 174.24 1upm s MET 69 N -0.59 4.36 -0.42 7.08 1.75 -1.26 -0.94 119.30 129.28 1upm s MET 69 Ca 0.12 1.98 -0.25 0.00 -1.25 0.00 0.00 55.69 56.29 1upm s MET 69 Cb -0.12 -3.27 0.02 0.00 2.84 0.00 0.00 34.83 34.31 1upm s MET 69 CO 0.02 -0.35 0.88 -0.46 -0.65 0.00 0.00 175.02 174.46 1upm s TRP 70 N 0.93 3.01 0.00 4.11 -0.11 -0.54 -4.90 118.94 121.43 1upm s TRP 70 Ca 0.62 0.49 0.00 0.00 1.22 0.00 0.00 56.10 58.43 1upm s TRP 70 Cb -0.35 -3.73 0.00 0.00 -1.50 0.00 0.00 33.47 27.89 1upm s TRP 70 CO 0.31 -0.94 0.00 1.63 -4.62 0.00 0.00 176.95 173.33 1upm n LYS 71 N 6.85 0.00 -4.42 5.86 5.02 -1.26 -4.55 118.16 125.67 1upm n LYS 71 Ca 0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 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 2.28 0.42 -0.35 1.43 -1.26 -5.11 118.68 116.09 1upm s LEU 72 Ca 0.00 -1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 51.57 1upm s LEU 72 Cb 0.00 -0.44 -0.10 0.00 0.03 0.00 0.00 46.19 45.68 1upm s LEU 72 CO 0.00 -0.50 1.10 -2.65 0.23 0.00 0.00 176.35 174.53 1upm n PRO 73 N -0.59 1.53 -2.09 1.29 -0.02 -1.26 -4.81 135.00 129.05 1upm n PRO 73 Ca -0.04 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1upm n PRO 73 Cb 0.65 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.08 3.76 -1.70 -0.52 2.81 -0.35 -4.98 117.12 116.22 1upm n MET 74 Ca 0.09 -3.29 -0.43 0.00 -1.81 0.00 0.00 57.70 52.26 1upm n MET 74 Cb 0.39 -2.89 -0.01 0.00 -0.71 0.00 0.00 33.22 30.00 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 3.63 2.34 -0.96 2.03 3.72 -1.26 -1.40 117.46 125.55 1upm n PHE 75 Ca 0.50 0.51 0.00 0.00 -0.05 0.00 0.00 57.45 58.41 1upm n PHE 75 Cb 0.33 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.43 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 1.05 0.19 3.75 1.37 0.00 -1.26 -5.00 105.19 105.29 1upm n GLY 76 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 1.97 0.00 -4.06 0.00 -2.24 -1.26 -5.01 114.28 103.68 1upm n THR 78 Ca 0.05 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1upm n THR 78 Cb 0.40 1.64 -0.15 0.00 -2.10 0.00 0.00 70.33 70.13 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 -0.01 4.00 0.58 3.42 2.15 -1.26 -5.00 116.67 120.54 1upm s ASP 79 Ca 0.00 -1.06 0.27 0.00 0.43 0.00 0.00 52.55 52.19 1upm s ASP 79 Cb 0.00 -1.55 1.63 0.00 -0.30 0.00 0.00 42.92 42.70 1upm s ASP 79 CO 0.00 -0.12 2.13 1.55 -0.17 0.00 0.00 175.17 178.57 1upm h PRO 80 N 7.87 0.00 -0.20 4.34 0.13 -1.96 -1.37 132.00 140.80 1upm h PRO 80 Ca -0.30 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1upm h PRO 80 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1upm h PRO 80 CO 0.54 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.14 1upm h ALA 81 N 1.85 1.34 0.09 -0.56 0.00 -1.98 -2.00 119.26 117.99 1upm h ALA 81 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1upm h ALA 81 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upm h ALA 81 CO -0.00 0.45 -0.05 1.96 0.00 0.00 0.00 179.25 181.61 1upm h GLN 82 N 0.32 -0.13 -0.35 0.00 4.20 -1.68 -0.07 115.11 117.41 1upm h GLN 82 Ca 0.06 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.83 1upm h GLN 82 Cb 0.49 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 1upm h GLN 82 CO 0.03 -0.09 0.04 0.28 -0.67 0.00 0.00 178.83 178.42 1upm h VAL 83 N -0.13 0.79 -0.10 -0.54 2.07 -1.58 0.47 116.25 117.22 1upm h VAL 83 Ca -0.01 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1upm h VAL 83 Cb 0.11 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1upm h VAL 83 CO 0.01 0.03 -0.29 -0.07 0.02 0.00 0.00 177.57 177.27 1upm h LEU 84 N 0.15 0.18 -0.32 2.57 3.38 -1.31 -1.03 115.31 118.92 1upm h LEU 84 Ca 0.17 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1upm h LEU 84 Cb 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1upm h LEU 84 CO -0.25 0.47 -0.13 -1.13 0.09 0.00 0.00 178.44 177.48 1upm h ASN 85 N 0.16 0.67 -0.66 -0.43 -0.73 -0.28 -2.24 115.58 112.08 1upm h ASN 85 Ca 0.02 -0.40 -0.06 0.00 1.87 0.00 0.00 56.30 57.73 1upm h ASN 85 Cb 0.59 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.97 1upm h ASN 85 CO 0.04 0.92 0.17 -0.33 -0.37 0.00 0.00 177.43 177.86 1upm h GLU 86 N 0.42 1.07 -0.76 6.67 4.39 -0.53 -0.86 114.58 124.97 1upm h GLU 86 Ca 0.07 -0.25 0.07 0.00 0.34 0.00 0.00 59.36 59.60 1upm h GLU 86 Cb 0.65 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1upm h GLU 86 CO 0.04 0.94 0.44 1.25 -1.16 0.00 0.00 179.01 180.52 1upm h LEU 87 N 1.02 0.65 -1.01 1.33 5.85 -1.15 0.24 115.31 122.24 1upm h LEU 87 Ca 0.21 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1upm h LEU 87 Cb 0.35 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1upm h LEU 87 CO 0.00 0.40 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.03 1upm h GLU 88 N 0.78 0.55 -0.29 1.25 4.39 -0.82 -0.53 114.58 119.92 1upm h GLU 88 Ca 0.35 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1upm h GLU 88 Cb 0.25 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1upm h GLU 88 CO -0.21 0.68 -0.08 1.49 -1.16 0.00 0.00 179.01 179.73 1upm h GLU 89 N 0.50 0.56 -0.50 2.33 4.81 0.17 -2.30 114.58 120.16 1upm h GLU 89 Ca 0.09 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1upm h GLU 89 Cb 0.54 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1upm h GLU 89 CO 0.03 0.77 0.31 0.00 -0.73 0.00 0.00 179.01 179.39 1upm h LYS 91 N 0.67 1.01 -0.33 0.00 1.57 -1.06 0.16 116.57 118.59 1upm h LYS 91 Ca 0.18 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1upm h LYS 91 Cb -0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1upm h LYS 91 CO -0.04 0.67 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.03 1upm h LYS 92 N 1.04 0.68 0.06 3.15 3.64 -1.14 -2.33 116.57 121.68 1upm h LYS 92 Ca 0.39 -0.28 -0.25 0.00 -1.27 0.00 0.00 60.65 59.23 1upm h LYS 92 Cb 0.15 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1upm h LYS 92 CO -0.17 0.87 -1.24 1.49 -2.27 0.00 0.00 179.45 178.14 1upm h GLU 93 N 0.59 0.13 -2.23 1.90 4.81 -0.97 -3.39 114.58 115.42 1upm h GLU 93 Ca 0.08 -0.22 -0.58 0.00 -0.13 0.00 0.00 59.36 58.50 1upm h GLU 93 Cb 0.75 0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.82 1upm h GLU 93 CO 0.06 1.04 -0.88 0.66 -0.73 0.00 0.00 179.01 179.16 1upm n TYR 94 N -3.40 1.07 0.31 0.92 4.01 0.51 -4.92 117.16 115.66 1upm n TYR 94 Ca -0.07 -3.77 0.16 0.00 -0.16 0.00 0.00 57.90 54.06 1upm n TYR 94 Cb 0.99 -0.34 0.57 0.00 -0.31 0.00 0.00 39.34 40.26 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 4.46 0.00 -0.25 -0.72 0.13 -1.63 -2.59 132.00 131.40 1upm h PRO 95 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1upm h PRO 95 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1upm h PRO 95 CO 0.58 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.62 1upm n ASN 96 N -2.90 2.10 -4.80 1.44 6.94 -1.26 -4.53 115.26 112.25 1upm n ASN 96 Ca 0.02 -1.81 -0.24 0.00 -0.02 0.00 0.00 54.58 52.52 1upm n ASN 96 Cb 0.33 -0.16 -0.05 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.68 3.54 0.25 -2.53 0.00 -0.98 -4.76 121.76 115.60 1upm s ALA 97 Ca 0.33 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1upm s ALA 97 Cb 0.18 -1.30 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 1upm s ALA 97 CO 0.26 0.39 0.92 -0.06 0.00 0.00 0.00 175.76 177.27 1upm s PHE 98 N -1.93 3.93 -0.06 0.00 0.08 0.04 -3.70 117.98 116.35 1upm s PHE 98 Ca 0.32 1.87 0.02 0.00 0.12 0.00 0.00 56.93 59.25 1upm s PHE 98 Cb -0.09 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.43 1upm s PHE 98 CO 0.24 0.42 -0.09 0.42 -0.10 0.00 0.00 175.22 176.11 1upm s ILE 99 N -1.25 0.86 0.22 0.64 1.01 -0.74 -1.58 121.20 120.36 1upm s ILE 99 Ca 0.42 -0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.86 1upm s ILE 99 Cb -0.24 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1upm s ILE 99 CO 0.30 0.30 -0.20 0.00 0.00 0.00 0.00 174.94 175.34 1upm s ARG 100 N 0.79 1.50 -0.14 2.79 1.70 -0.48 -0.35 118.95 124.76 1upm s ARG 100 Ca -0.13 -1.60 -0.04 0.00 -0.47 0.00 0.00 55.73 53.50 1upm s ARG 100 Cb -0.15 -1.60 -0.03 0.00 -0.57 0.00 0.00 34.95 32.59 1upm s ARG 100 CO 0.02 0.32 -0.02 0.42 -1.08 0.00 0.00 175.30 174.96 1upm s ILE 101 N -2.23 4.10 0.22 4.99 1.01 -0.31 -1.81 121.20 127.16 1upm s ILE 101 Ca 0.23 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1upm s ILE 101 Cb -0.05 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1upm s ILE 101 CO 0.11 0.51 -0.13 0.27 0.00 0.00 0.00 174.94 175.70 1upm s ILE 102 N 0.10 1.72 -0.03 2.92 -4.36 -0.03 -1.96 121.20 119.56 1upm s ILE 102 Ca 0.01 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.20 1upm s ILE 102 Cb -0.13 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.49 1upm s ILE 102 CO 0.02 -0.54 -0.01 -0.83 0.24 0.00 0.00 174.94 173.82 1upm s GLY 103 N -3.34 0.28 -0.06 6.27 0.00 -0.58 -0.99 107.32 108.90 1upm s GLY 103 Ca 0.24 0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.99 1upm s GLY 103 CO 0.08 0.52 0.22 -1.36 0.00 0.00 0.00 173.10 172.56 1upm s PHE 104 N 0.93 3.61 -0.32 1.90 0.08 0.92 -0.74 117.98 124.36 1upm s PHE 104 Ca -0.10 0.60 -0.08 0.00 0.12 0.00 0.00 56.93 57.47 1upm s PHE 104 Cb -0.13 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1upm s PHE 104 CO -0.01 0.69 0.11 0.34 -0.10 0.00 0.00 175.22 176.25 1upm s ASP 105 N -1.27 5.32 0.39 1.36 -1.08 -0.76 -1.13 116.67 119.51 1upm s ASP 105 Ca 0.20 -0.89 0.25 0.00 -0.52 0.00 0.00 52.55 51.59 1upm s ASP 105 Cb -0.13 -1.91 0.56 0.00 -1.46 0.00 0.00 42.92 39.98 1upm s ASP 105 CO 0.10 -0.27 1.68 0.77 0.52 0.00 0.00 175.17 177.97 1upm h SER 106 N 8.27 0.00 -0.21 -0.34 4.64 -1.93 0.74 113.55 124.72 1upm h SER 106 Ca -0.28 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.86 1upm h SER 106 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1upm h SER 106 CO 0.61 0.00 -0.57 0.78 -0.87 0.00 0.00 176.83 176.78 1upm h ASN 107 N 0.00 0.87 0.61 4.97 2.35 -1.96 -3.27 115.58 119.15 1upm h ASN 107 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1upm h ASN 107 Cb 0.88 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1upm h ASN 107 CO 0.00 1.29 -1.18 0.54 -1.65 0.00 0.00 177.43 176.43 1upm n ARG 108 N -4.07 0.49 -3.64 0.81 1.74 -1.12 -5.00 116.66 105.87 1upm n ARG 108 Ca -0.06 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 1upm n ARG 108 Cb 0.64 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.33 -3.33 -3.84 5.56 2.13 0.26 -5.01 120.64 114.09 1upm n GLU 109 Ca 0.00 0.60 -0.14 0.00 0.66 0.00 0.00 57.16 58.28 1upm n GLU 109 Cb 0.51 -4.93 -0.15 0.00 0.27 0.00 0.00 31.44 27.14 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 -3.59 0.00 0.02 6.31 1.01 -1.14 -5.01 120.40 118.01 1upm s VAL 110 Ca 0.21 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1upm s VAL 110 Cb -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 1upm s VAL 110 CO 0.82 0.06 1.29 -1.10 0.00 0.00 0.00 175.10 176.17 1upm s GLN 111 N 0.63 4.35 -0.00 2.72 -0.21 -1.26 -1.83 119.66 124.06 1upm s GLN 111 Ca -0.05 1.84 0.17 0.00 0.02 0.00 0.00 55.36 57.34 1upm s GLN 111 Cb -0.08 -3.46 -0.20 0.00 1.00 0.00 0.00 33.01 30.27 1upm s GLN 111 CO -0.02 -0.43 0.70 0.00 -2.12 0.00 0.00 175.29 173.42 1upm s ILE 113 N -2.70 0.56 -0.29 0.00 -1.09 -1.19 -4.95 121.20 111.54 1upm s ILE 113 Ca 0.05 -0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.04 1upm s ILE 113 Cb 0.13 -0.48 0.11 0.00 -1.58 0.00 0.00 42.46 40.64 1upm s ILE 113 CO 0.72 0.16 0.72 -0.55 -1.23 0.00 0.00 174.94 174.76 1upm s SER 114 N -0.12 -0.95 -0.12 3.58 0.15 -1.26 -1.53 113.70 113.46 1upm s SER 114 Ca 0.02 1.43 -0.30 0.00 0.70 0.00 0.00 55.95 57.81 1upm s SER 114 Cb -0.03 1.69 0.08 0.00 -1.71 0.00 0.00 66.02 66.05 1upm s SER 114 CO -0.00 -0.22 0.76 0.72 1.20 0.00 0.00 173.24 175.70 1upm s PHE 115 N 2.07 -0.63 0.05 3.44 -0.12 -0.83 -4.40 117.98 117.57 1upm s PHE 115 Ca -0.08 1.19 -0.31 0.00 -0.05 0.00 0.00 56.93 57.68 1upm s PHE 115 Cb -0.07 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.65 1upm s PHE 115 CO -0.19 -0.51 1.18 -1.50 -0.05 0.00 0.00 175.22 174.15 1upm s ILE 116 N -0.84 4.12 -0.02 -4.49 1.10 -1.26 -1.17 121.20 118.65 1upm s ILE 116 Ca -0.07 1.52 0.08 0.00 -0.51 0.00 0.00 60.65 61.67 1upm s ILE 116 Cb -0.01 -3.98 -0.12 0.00 0.15 0.00 0.00 42.46 38.50 1upm s ILE 116 CO 0.06 0.12 0.17 0.00 -2.11 0.00 0.00 174.94 173.18 1upm n ALA 117 N 3.93 2.30 -3.32 1.50 0.00 0.53 -4.91 120.51 120.54 1upm n ALA 117 Ca 0.09 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1upm n ALA 117 Cb 0.47 -0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.53 -0.39 -0.01 0.00 5.04 -0.94 -5.00 117.35 113.52 1upm s TYR 118 Ca -0.03 0.84 0.03 0.00 -2.44 0.00 0.00 57.07 55.47 1upm s TYR 118 Cb 0.05 0.17 -0.00 0.00 0.35 0.00 0.00 41.96 42.52 1upm s TYR 118 CO 0.32 -0.33 -0.10 0.15 -1.34 0.00 0.00 175.55 174.26 1upm s LYS 119 N -0.48 0.88 1.21 4.97 1.02 -1.26 -1.79 119.74 124.28 1upm s LYS 119 Ca -0.06 -0.35 -0.20 0.00 0.02 0.00 0.00 55.97 55.38 1upm s LYS 119 Cb -0.03 -0.84 0.29 0.00 -0.52 0.00 0.00 37.83 36.73 1upm s LYS 119 CO 0.03 0.19 1.13 -1.25 -0.92 0.00 0.00 175.35 174.53 1upm s PRO 120 N -0.12 -1.25 0.18 -1.68 0.04 -1.24 -4.87 135.00 126.05 1upm s PRO 120 Ca 0.02 -0.15 -0.33 0.00 0.04 0.00 0.00 61.00 60.58 1upm s PRO 120 Cb -0.05 -1.60 -0.13 0.00 0.04 0.00 0.00 34.50 32.76 1upm s PRO 120 CO -0.00 -3.72 1.65 0.00 0.04 0.00 0.00 177.00 174.97 1upm n ALA 121 N -4.75 2.09 -0.63 8.56 0.00 -1.26 -2.41 120.51 122.10 1upm n ALA 121 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1upm n ALA 121 Cb 0.60 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 3.69 0.67 0.00 0.00 0.00 -1.26 -5.17 105.19 103.12 1upm n GLY 122 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1upm n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60