#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 3.28 -0.23 2.12 0.74 -1.26 -5.09 119.66 119.23 1upm s GLN 2 Ca 0.00 -0.24 -0.14 0.00 0.05 0.00 0.00 55.36 55.03 1upm s GLN 2 Cb 0.00 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1upm s GLN 2 CO 0.00 0.74 0.31 0.08 -0.55 0.00 0.00 175.29 175.87 1upm s VAL 3 N -1.01 5.25 -0.02 1.34 1.01 -1.26 -5.05 120.40 120.66 1upm s VAL 3 Ca 0.16 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1upm s VAL 3 Cb -0.12 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1upm s VAL 3 CO 0.05 0.27 1.55 0.86 0.00 0.00 0.00 175.10 177.83 1upm s TRP 4 N 1.34 2.38 1.11 5.22 -0.11 -1.26 -4.95 118.94 122.68 1upm s TRP 4 Ca 0.14 0.46 -0.12 0.00 1.22 0.00 0.00 56.10 57.80 1upm s TRP 4 Cb -0.14 -3.82 0.26 0.00 -1.50 0.00 0.00 33.47 28.26 1upm s TRP 4 CO 0.07 -3.29 1.05 -2.14 -4.62 0.00 0.00 176.95 168.03 1upm s PRO 5 N 3.26 -0.55 0.00 5.86 0.02 -1.26 -5.00 135.00 137.33 1upm s PRO 5 Ca 0.69 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1upm s PRO 5 Cb -0.33 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1upm s PRO 5 CO 0.28 -3.54 0.00 1.51 -0.33 0.00 0.00 177.00 174.92 1upm n ILE 6 N -4.81 0.00 -3.94 2.83 0.13 -1.26 -4.95 119.36 107.35 1upm n ILE 6 Ca 0.05 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.34 1upm n ILE 6 Cb 0.53 -0.72 -0.08 0.00 -0.84 0.00 0.00 39.64 38.53 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 -3.95 4.13 -1.26 9.51 1.43 -1.26 -4.34 118.68 122.95 1upm s LEU 7 Ca 0.00 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1upm s LEU 7 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1upm s LEU 7 CO 0.00 0.31 0.69 0.59 0.23 0.00 0.00 176.35 178.17 1upm n ASN 8 N 2.61 -2.63 -1.86 2.29 5.03 -1.26 -4.90 115.26 114.54 1upm n ASN 8 Ca -0.18 -0.90 -0.06 0.00 0.87 0.00 0.00 54.58 54.31 1upm n ASN 8 Cb 0.54 -3.77 0.07 0.00 -1.02 0.00 0.00 39.78 35.59 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 -4.18 2.77 -4.77 3.41 7.99 -1.26 -5.07 117.00 115.89 1upm n LEU 9 Ca -0.22 -3.57 -0.41 0.00 -0.01 0.00 0.00 56.01 51.80 1upm n LEU 9 Cb 0.65 -0.08 -0.01 0.00 -0.11 0.00 0.00 43.42 43.87 1upm n LEU 9 CO 0.68 1.36 1.09 -0.54 -1.51 0.00 0.00 177.39 178.47 1upm s LYS 10 N -2.92 4.20 0.31 3.23 -0.14 -1.26 -5.03 119.74 118.13 1upm s LYS 10 Ca 0.38 2.45 0.06 0.00 -1.36 0.00 0.00 55.97 57.50 1upm s LYS 10 Cb 0.37 -3.01 -0.06 0.00 -1.68 0.00 0.00 37.83 33.45 1upm s LYS 10 CO -0.04 -0.42 -0.02 0.15 -0.76 0.00 0.00 175.35 174.26 1upm s LYS 11 N -1.92 1.64 -0.08 1.68 -0.14 -1.26 -5.09 119.74 114.56 1upm s LYS 11 Ca 0.52 -1.86 0.21 0.00 -1.36 0.00 0.00 55.97 53.47 1upm s LYS 11 Cb -0.44 -1.15 0.43 0.00 -1.68 0.00 0.00 37.83 34.99 1upm s LYS 11 CO 0.59 -0.03 1.18 0.66 -0.76 0.00 0.00 175.35 176.99 1upm n TYR 12 N -0.66 0.12 -4.79 3.18 4.02 -1.26 -5.10 117.16 112.66 1upm n TYR 12 Ca -0.04 -0.92 0.00 0.00 -0.01 0.00 0.00 57.90 56.93 1upm n TYR 12 Cb 0.65 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1upm n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1upm n GLU 13 N -0.07 0.00 -1.70 -0.72 -0.58 -1.26 -4.58 120.64 111.73 1upm n GLU 13 Ca 0.11 0.00 -0.53 0.00 -0.42 0.00 0.00 57.16 56.32 1upm n GLU 13 Cb 0.99 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.80 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 0.45 0.00 2.62 -1.04 -1.26 -1.67 114.28 113.38 1upm n THR 14 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1upm n THR 14 Cb 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1upm n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upm n LEU 15 N 6.04 0.00 0.05 -4.42 4.32 -1.26 -4.62 117.00 117.11 1upm n LEU 15 Ca 0.25 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.37 1upm n LEU 15 Cb 0.21 0.00 0.52 0.00 -1.62 0.00 0.00 43.42 42.53 1upm n LEU 15 CO 0.77 0.00 0.92 -1.54 -1.22 0.00 0.00 177.39 176.32 1upm n SER 16 N 0.00 0.35 -0.17 -1.43 3.41 -0.67 -2.05 113.62 113.06 1upm n SER 16 Ca 0.00 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 1upm n SER 16 Cb 0.00 -0.63 0.72 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 -1.83 0.02 -2.90 7.33 4.02 -1.26 -4.86 117.16 117.68 1upm n TYR 17 Ca 0.06 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.90 57.73 1upm n TYR 17 Cb 0.37 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.71 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 -1.89 3.53 0.83 7.72 1.43 -0.87 -5.09 118.68 124.35 1upm s LEU 18 Ca 0.41 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1upm s LEU 18 Cb 0.20 -2.94 0.10 0.00 0.03 0.00 0.00 46.19 43.58 1upm s LEU 18 CO 0.32 -0.86 1.18 -2.65 0.23 0.00 0.00 176.35 174.58 1upm n PRO 19 N -2.11 0.03 -1.66 1.29 -0.02 -1.26 -4.89 135.00 126.37 1upm n PRO 19 Ca 0.05 0.09 -0.47 0.00 -2.02 0.00 0.00 63.50 61.14 1upm n PRO 19 Cb 0.59 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 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 -3.47 2.01 -1.66 0.52 -0.02 -1.26 -4.88 135.00 126.24 1upm n PRO 20 Ca 0.13 0.73 -0.53 0.00 -2.02 0.00 0.00 63.50 61.81 1upm n PRO 20 Cb 0.51 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.90 2.31 -4.71 2.45 4.32 -1.26 -4.99 117.00 119.01 1upm n LEU 21 Ca 0.18 1.08 -0.29 0.00 -0.02 0.00 0.00 56.01 56.96 1upm n LEU 21 Cb 0.27 -1.21 0.16 0.00 -1.62 0.00 0.00 43.42 41.02 1upm n LEU 21 CO 0.65 -0.60 0.66 0.42 -1.22 0.00 0.00 177.39 177.31 1upm s THR 22 N 2.26 2.23 0.26 -5.08 -4.23 -1.26 -4.82 115.64 105.00 1upm s THR 22 Ca 0.91 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.45 1upm s THR 22 Cb -0.95 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 70.53 1upm s THR 22 CO 0.55 -0.10 1.94 0.71 -0.54 0.00 0.00 174.62 177.17 1upm h THR 23 N -1.72 1.24 -0.68 3.99 1.35 -1.99 0.23 112.91 115.33 1upm h THR 23 Ca -0.52 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1upm h THR 23 Cb 1.32 -0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 1upm h THR 23 CO 0.58 0.24 0.26 0.44 -0.25 0.00 0.00 175.52 176.79 1upm h ASP 24 N 1.31 0.95 -0.30 5.36 3.32 -1.99 -1.08 116.42 123.98 1upm h ASP 24 Ca 0.36 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1upm h ASP 24 Cb -0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 1upm h ASP 24 CO -0.08 0.87 -0.17 1.56 -1.72 0.00 0.00 179.24 179.70 1upm h GLN 25 N 0.97 0.76 0.02 3.56 4.20 -1.71 -1.90 115.11 121.02 1upm h GLN 25 Ca 0.23 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1upm h GLN 25 Cb 0.22 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1upm h GLN 25 CO -0.02 0.88 -0.01 1.25 -0.67 0.00 0.00 178.83 180.26 1upm h LEU 26 N 0.67 -0.03 -0.90 1.46 5.85 -0.83 -2.50 115.31 119.04 1upm h LEU 26 Ca 0.10 -0.10 0.19 0.00 0.84 0.00 0.00 57.88 58.92 1upm h LEU 26 Cb 0.66 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 1upm h LEU 26 CO 0.05 0.09 0.45 0.00 -0.34 0.00 0.00 178.44 178.69 1upm h ALA 27 N 0.84 1.44 -0.01 1.25 0.00 -1.07 -1.91 119.26 119.79 1upm h ALA 27 Ca -0.00 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1upm h ALA 27 Cb 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1upm h ALA 27 CO 0.01 -0.22 -0.61 0.00 0.00 0.00 0.00 179.25 178.43 1upm h ARG 28 N 0.53 0.04 -0.51 0.00 3.08 -1.14 -0.89 114.38 115.49 1upm h ARG 28 Ca 0.54 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.49 1upm h ARG 28 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1upm h ARG 28 CO -0.45 0.63 0.05 1.96 -1.07 0.00 0.00 179.97 181.09 1upm h GLN 29 N 0.03 0.88 -0.57 0.04 1.08 -0.92 -1.70 115.11 113.95 1upm h GLN 29 Ca -0.01 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1upm h GLN 29 Cb 1.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 1upm h GLN 29 CO 0.08 0.88 0.30 0.28 -0.95 0.00 0.00 178.83 179.42 1upm h VAL 30 N 0.75 1.19 -0.87 -0.54 2.07 -1.20 -2.21 116.25 115.44 1upm h VAL 30 Ca 0.15 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1upm h VAL 30 Cb 0.45 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1upm h VAL 30 CO 0.02 0.21 0.56 0.44 0.02 0.00 0.00 177.57 178.82 1upm h ASP 31 N 0.77 0.91 -0.42 0.57 3.32 -1.09 -1.26 116.42 119.22 1upm h ASP 31 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1upm h ASP 31 Cb 0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1upm h ASP 31 CO -0.03 0.61 0.22 0.22 -1.72 0.00 0.00 179.24 178.54 1upm h TYR 32 N 1.06 0.60 0.16 4.55 3.20 -1.02 0.45 116.97 125.96 1upm h TYR 32 Ca 0.36 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1upm h TYR 32 Cb 0.06 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1upm h TYR 32 CO -0.02 0.47 -0.11 1.25 -1.64 0.00 0.00 178.16 178.11 1upm h LEU 33 N 0.55 -0.27 -0.90 2.82 5.85 -1.08 -2.48 115.31 119.80 1upm h LEU 33 Ca 0.15 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1upm h LEU 33 Cb 0.09 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1upm h LEU 33 CO -0.02 -0.17 0.38 -0.07 -0.34 0.00 0.00 178.44 178.22 1upm h LEU 34 N -0.26 1.06 -1.58 2.25 3.38 -1.03 -2.87 115.31 116.27 1upm h LEU 34 Ca -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1upm h LEU 34 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1upm h LEU 34 CO 0.01 0.90 -0.23 0.78 0.09 0.00 0.00 178.44 179.99 1upm h ASN 35 N 1.16 0.00 -0.07 -0.43 2.35 -0.04 0.10 115.58 118.65 1upm h ASN 35 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1upm h ASN 35 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1upm h ASN 35 CO -0.03 0.23 0.00 0.59 -1.65 0.00 0.00 177.43 176.56 1upm n ASN 36 N -4.04 0.67 -3.09 5.81 3.02 -0.94 -4.93 115.26 111.75 1upm n ASN 36 Ca -0.02 -1.55 -0.20 0.00 -0.03 0.00 0.00 54.58 52.78 1upm n ASN 36 Cb 0.30 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.34 -6.62 -3.54 3.52 5.02 0.35 -5.02 118.16 111.54 1upm n LYS 37 Ca 0.14 0.70 -0.27 0.00 -2.02 0.00 0.00 58.31 56.87 1upm n LYS 37 Cb 0.17 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 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 -0.25 2.13 0.51 -1.11 -4.95 118.94 115.49 1upm s TRP 38 Ca 0.49 0.42 -0.22 0.00 -2.12 0.00 0.00 56.10 54.67 1upm s TRP 38 Cb -0.21 -1.93 -0.01 0.00 -0.81 0.00 0.00 33.47 30.50 1upm s TRP 38 CO 0.60 0.27 0.69 0.08 -0.51 0.00 0.00 176.95 178.08 1upm s VAL 39 N -2.02 4.94 0.33 4.03 1.01 0.10 -4.64 120.40 124.15 1upm s VAL 39 Ca 0.40 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 1upm s VAL 39 Cb -0.11 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1upm s VAL 39 CO 0.30 -0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.36 1upm s PRO 40 N 2.61 4.42 -0.07 2.72 0.04 -1.26 -0.28 135.00 143.18 1upm s PRO 40 Ca 0.29 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1upm s PRO 40 Cb -0.15 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.43 1upm s PRO 40 CO 0.08 0.01 0.19 0.00 0.04 0.00 0.00 177.00 177.33 1upm s LEU 42 N 0.11 4.39 0.01 0.00 1.02 -1.26 -0.88 118.68 122.08 1upm s LEU 42 Ca -0.00 0.76 0.03 0.00 0.02 0.00 0.00 54.13 54.94 1upm s LEU 42 Cb -0.01 -2.72 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 1upm s LEU 42 CO 0.00 0.26 -0.09 -1.61 0.02 0.00 0.00 176.35 174.93 1upm s GLU 43 N -1.56 0.64 0.11 1.70 2.02 -0.77 -1.51 118.70 119.33 1upm s GLU 43 Ca 0.27 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.80 1upm s GLU 43 Cb -0.14 -0.58 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 1upm s GLU 43 CO 0.15 0.15 -0.02 -0.59 0.02 0.00 0.00 175.26 174.97 1upm s PHE 44 N -0.58 0.88 -0.26 1.61 -0.71 -0.40 -1.14 117.98 117.38 1upm s PHE 44 Ca -0.00 -1.04 -0.14 0.00 -1.04 0.00 0.00 56.93 54.70 1upm s PHE 44 Cb -0.05 -0.52 0.08 0.00 -1.21 0.00 0.00 43.02 41.31 1upm s PHE 44 CO 0.00 -0.29 0.63 -2.00 -1.34 0.00 0.00 175.22 172.23 1upm s GLU 45 N -3.91 0.64 -0.12 1.99 2.56 -0.53 -1.11 118.70 118.22 1upm s GLU 45 Ca 0.16 1.16 0.13 0.00 0.00 0.00 0.00 54.97 56.41 1upm s GLU 45 Cb 0.07 0.15 -0.18 0.00 2.00 0.00 0.00 34.13 36.16 1upm s GLU 45 CO -0.03 -0.16 0.09 0.25 -0.56 0.00 0.00 175.26 174.85 1upm n THR 46 N 4.37 0.81 -0.11 -1.70 -2.24 -1.26 -0.65 114.28 113.50 1upm n THR 46 Ca -0.20 -0.55 -0.22 0.00 -2.27 0.00 0.00 64.05 60.81 1upm n THR 46 Cb 0.58 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.44 1.85 -4.02 3.42 8.00 -1.26 -4.75 116.55 117.35 1upm n ASP 47 Ca -0.20 0.32 -0.33 0.00 0.71 0.00 0.00 54.79 55.29 1upm n ASP 47 Cb 0.87 -0.75 -0.10 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 -2.60 3.56 0.46 1.24 3.76 -1.26 -4.94 115.29 115.51 1upm s HIS 48 Ca -0.33 -3.06 0.13 0.00 -0.15 0.00 0.00 55.06 51.64 1upm s HIS 48 Cb 0.11 -3.02 1.05 0.00 1.11 0.00 0.00 32.58 31.83 1upm s HIS 48 CO 0.44 -0.71 2.06 0.78 -0.85 0.00 0.00 174.74 176.46 1upm h GLY 49 N 6.18 0.16 -1.84 -2.22 0.00 -1.89 -3.44 103.07 100.01 1upm h GLY 49 Ca 0.07 -0.07 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1upm h GLY 49 CO 0.75 0.07 -0.63 -1.36 0.00 0.00 0.00 176.54 175.37 1upm s PHE 50 N -5.01 2.48 0.42 5.60 0.08 -1.26 -5.11 117.98 115.19 1upm s PHE 50 Ca -0.05 -0.57 -0.22 0.00 0.12 0.00 0.00 56.93 56.21 1upm s PHE 50 Cb 0.17 -1.60 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 1upm s PHE 50 CO 0.70 0.49 0.96 0.54 -0.10 0.00 0.00 175.22 177.80 1upm s VAL 51 N -2.64 4.32 0.30 -0.44 0.11 -1.26 -4.73 120.40 116.05 1upm s VAL 51 Ca 0.34 1.51 -0.13 0.00 -2.93 0.00 0.00 61.98 60.78 1upm s VAL 51 Cb 0.05 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.27 1upm s VAL 51 CO 0.18 -0.25 0.58 -0.72 -3.33 0.00 0.00 175.10 171.56 1upm s TYR 52 N -2.08 0.37 -0.53 1.54 1.13 -0.72 -4.99 117.35 112.06 1upm s TYR 52 Ca 0.61 -0.78 0.04 0.00 -1.41 0.00 0.00 57.07 55.53 1upm s TYR 52 Cb -0.11 0.35 0.16 0.00 -1.10 0.00 0.00 41.96 41.26 1upm s TYR 52 CO 0.15 -1.18 0.38 1.03 -2.51 0.00 0.00 175.55 173.42 1upm s ARG 53 N -3.47 1.55 -0.19 -3.49 0.52 -1.26 -0.03 118.95 112.58 1upm s ARG 53 Ca 0.21 -2.54 -0.20 0.00 -0.52 0.00 0.00 55.73 52.68 1upm s ARG 53 Cb -0.02 -2.34 -0.17 0.00 0.52 0.00 0.00 34.95 32.94 1upm s ARG 53 CO 0.11 -1.31 0.18 1.49 0.02 0.00 0.00 175.30 175.80 1upm h GLU 54 N 5.77 0.00 0.00 3.54 4.81 -1.97 -3.43 114.58 123.30 1upm h GLU 54 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1upm h GLU 54 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1upm h GLU 54 CO 0.52 0.84 -0.79 0.72 -0.73 0.00 0.00 179.01 179.57 1upm n HIS 55 N -4.47 0.35 -3.72 0.92 8.25 -1.26 -4.99 115.22 110.30 1upm n HIS 55 Ca -0.27 0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.24 1upm n HIS 55 Cb 0.60 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 -3.16 -0.18 0.00 4.41 2.46 -1.26 -5.08 115.29 112.48 1upm s HIS 56 Ca 0.06 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.47 1upm s HIS 56 Cb 0.14 0.63 0.00 0.00 -0.13 0.00 0.00 32.58 33.22 1upm s HIS 56 CO 0.75 -0.83 0.16 0.09 -2.47 0.00 0.00 174.74 172.45 1upm n ASN 57 N -0.44 0.00 -4.76 9.88 3.02 -1.26 -4.83 115.26 116.88 1upm n ASN 57 Ca -0.07 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 1upm n ASN 57 Cb 0.61 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.90 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 3.77 -0.09 6.41 1.04 -1.26 -4.91 113.70 118.65 1upm s SER 58 Ca 0.00 1.28 -0.37 0.00 0.48 0.00 0.00 55.95 57.33 1upm s SER 58 Cb 0.00 -1.96 -0.15 0.00 0.10 0.00 0.00 66.02 64.02 1upm s SER 58 CO 0.00 -2.42 1.65 -2.65 0.98 0.00 0.00 173.24 170.80 1upm n PRO 59 N -3.72 1.49 -0.89 4.02 -0.02 -1.26 -2.13 135.00 132.48 1upm n PRO 59 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1upm n PRO 59 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.71 0.79 3.64 -1.23 0.00 -1.26 -5.02 105.19 105.83 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 -3.07 3.29 0.01 1.61 6.14 -0.91 -5.08 117.35 119.35 1upm s TYR 61 Ca 0.00 0.20 0.01 0.00 0.64 0.00 0.00 57.07 57.92 1upm s TYR 61 Cb 0.00 -2.30 -0.01 0.00 0.42 0.00 0.00 41.96 40.06 1upm s TYR 61 CO 0.00 0.00 -0.04 0.71 0.64 0.00 0.00 175.55 176.87 1upm s TYR 62 N 1.25 0.31 0.60 4.97 2.02 -1.26 -4.75 117.35 120.48 1upm s TYR 62 Ca 0.08 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.44 1upm s TYR 62 Cb -0.14 -0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.23 1upm s TYR 62 CO 0.06 -0.07 0.92 -0.51 -1.57 0.00 0.00 175.55 174.38 1upm s ASP 63 N -0.74 5.63 0.00 2.29 1.01 0.96 -4.50 116.67 121.31 1upm s ASP 63 Ca -0.06 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.00 1upm s ASP 63 Cb -0.05 -1.79 0.00 0.00 1.01 0.00 0.00 42.92 42.09 1upm s ASP 63 CO -0.00 -1.06 0.00 0.61 0.21 0.00 0.00 175.17 174.92 1upm n GLY 64 N -2.62 1.04 0.15 0.21 0.00 -1.26 -1.76 105.19 100.94 1upm n GLY 64 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 3.54 0.45 -6.54 1.61 3.08 -1.92 -3.43 114.38 111.17 1upm h ARG 65 Ca 0.00 -0.46 -0.52 0.00 0.07 0.00 0.00 59.98 59.07 1upm h ARG 65 Cb 0.00 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1upm h ARG 65 CO 0.00 1.11 0.43 0.71 -1.07 0.00 0.00 179.97 181.15 1upm s TYR 66 N -3.30 3.65 0.17 3.04 2.02 -1.26 -5.05 117.35 116.62 1upm s TYR 66 Ca -0.13 1.63 0.01 0.00 -0.37 0.00 0.00 57.07 58.21 1upm s TYR 66 Cb 0.04 -3.20 0.01 0.00 -0.40 0.00 0.00 41.96 38.41 1upm s TYR 66 CO 0.83 -0.35 0.11 0.91 -1.57 0.00 0.00 175.55 175.48 1upm n TRP 67 N 3.12 -1.01 -4.40 2.71 7.02 -1.26 -5.10 117.44 118.52 1upm n TRP 67 Ca 0.04 -0.74 -0.35 0.00 -1.02 0.00 0.00 57.50 55.44 1upm n TRP 67 Cb 0.48 -0.14 -0.10 0.00 -2.42 0.00 0.00 31.31 29.13 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 -0.94 4.18 0.03 -0.99 -1.32 -0.26 -4.89 115.64 111.44 1upm s THR 68 Ca 0.08 -0.29 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 1upm s THR 68 Cb -0.01 -2.77 -0.07 0.00 -1.51 0.00 0.00 72.50 68.15 1upm s THR 68 CO 0.05 0.58 1.51 -0.32 -2.21 0.00 0.00 174.62 174.24 1upm s MET 69 N -0.59 4.24 -0.33 7.08 1.75 -1.26 -1.27 119.30 128.92 1upm s MET 69 Ca 0.10 2.14 -0.29 0.00 -1.25 0.00 0.00 55.69 56.38 1upm s MET 69 Cb -0.12 -3.57 0.02 0.00 2.84 0.00 0.00 34.83 34.00 1upm s MET 69 CO 0.02 -0.64 1.07 -0.46 -0.65 0.00 0.00 175.02 174.35 1upm s TRP 70 N 2.47 3.12 0.00 4.11 -0.11 -0.57 -4.90 118.94 123.06 1upm s TRP 70 Ca 0.68 1.14 0.00 0.00 1.22 0.00 0.00 56.10 59.14 1upm s TRP 70 Cb -0.35 -3.73 0.00 0.00 -1.50 0.00 0.00 33.47 27.88 1upm s TRP 70 CO 0.29 -0.80 0.00 1.63 -4.62 0.00 0.00 176.95 173.45 1upm n LYS 71 N 6.92 0.00 -4.29 5.86 5.02 -1.26 -4.58 118.16 125.83 1upm n LYS 71 Ca 0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 1upm n LYS 71 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 1upm n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upm s LEU 72 N 0.00 2.33 0.28 -0.35 1.43 -1.26 -5.10 118.68 116.00 1upm s LEU 72 Ca 0.00 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 51.68 1upm s LEU 72 Cb 0.00 -0.30 -0.14 0.00 0.03 0.00 0.00 46.19 45.79 1upm s LEU 72 CO 0.00 -0.43 1.21 -2.65 0.23 0.00 0.00 176.35 174.71 1upm n PRO 73 N -0.32 1.73 -2.02 1.29 -0.02 -1.26 -4.83 135.00 129.57 1upm n PRO 73 Ca -0.07 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1upm n PRO 73 Cb 0.62 -2.13 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 1.14 3.38 -1.76 -0.52 2.81 -0.40 -4.97 117.12 116.79 1upm n MET 74 Ca 0.09 -3.08 -0.41 0.00 -1.81 0.00 0.00 57.70 52.49 1upm n MET 74 Cb 0.32 -3.04 -0.01 0.00 -0.71 0.00 0.00 33.22 29.78 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 4.59 2.91 -1.12 2.03 3.72 -1.26 -1.62 117.46 126.70 1upm n PHE 75 Ca 0.48 0.38 -0.04 0.00 -0.05 0.00 0.00 57.45 58.22 1upm n PHE 75 Cb 0.36 -2.55 -0.02 0.00 -0.94 0.00 0.00 39.48 36.33 1upm n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upm n GLY 76 N 1.13 0.53 3.74 1.37 0.00 -1.26 -5.00 105.19 105.70 1upm n GLY 76 Ca 0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 2.65 0.00 -4.07 0.00 -2.24 -1.26 -4.99 114.28 104.37 1upm n THR 78 Ca 0.07 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1upm n THR 78 Cb 0.42 1.40 -0.15 0.00 -2.10 0.00 0.00 70.33 69.89 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 3.81 0.55 3.42 2.15 -1.26 -5.00 116.67 120.33 1upm s ASP 79 Ca 0.00 -0.93 0.24 0.00 0.43 0.00 0.00 52.55 52.29 1upm s ASP 79 Cb 0.00 -1.54 1.54 0.00 -0.30 0.00 0.00 42.92 42.62 1upm s ASP 79 CO 0.00 -0.09 2.17 1.55 -0.17 0.00 0.00 175.17 178.63 1upm h PRO 80 N 7.90 0.00 -0.02 4.34 0.13 -1.96 -1.38 132.00 141.01 1upm h PRO 80 Ca -0.35 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1upm h PRO 80 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1upm h PRO 80 CO 0.57 0.04 -0.22 0.00 -0.23 0.00 0.00 178.00 178.16 1upm h ALA 81 N 1.96 1.59 0.12 -0.56 0.00 -1.99 -2.12 119.26 118.26 1upm h ALA 81 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1upm h ALA 81 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1upm h ALA 81 CO 0.01 0.30 -0.06 1.96 0.00 0.00 0.00 179.25 181.46 1upm h GLN 82 N 0.03 -0.15 -0.22 0.00 4.20 -1.68 -1.09 115.11 116.20 1upm h GLN 82 Ca 0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1upm h GLN 82 Cb 0.41 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1upm h GLN 82 CO 0.03 0.03 -0.07 0.28 -0.67 0.00 0.00 178.83 178.43 1upm h VAL 83 N -0.31 0.73 -0.30 -0.54 2.07 -1.57 -0.59 116.25 115.75 1upm h VAL 83 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1upm h VAL 83 Cb 0.25 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1upm h VAL 83 CO 0.03 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.56 1upm h LEU 84 N -0.03 0.41 -0.31 2.57 3.38 -1.41 -1.45 115.31 118.48 1upm h LEU 84 Ca 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1upm h LEU 84 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1upm h LEU 84 CO -0.25 0.46 -0.08 -1.13 0.09 0.00 0.00 178.44 177.54 1upm h ASN 85 N 0.43 0.60 -0.84 -0.43 -0.73 -0.69 -1.88 115.58 112.04 1upm h ASN 85 Ca 0.10 -0.37 -0.00 0.00 1.87 0.00 0.00 56.30 57.90 1upm h ASN 85 Cb 0.26 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 1upm h ASN 85 CO 0.00 0.83 0.51 -0.33 -0.37 0.00 0.00 177.43 178.07 1upm h GLU 86 N 0.36 1.15 -0.82 6.67 4.39 -0.71 -1.13 114.58 124.49 1upm h GLU 86 Ca 0.08 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1upm h GLU 86 Cb 0.57 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1upm h GLU 86 CO 0.03 0.80 0.47 1.25 -1.16 0.00 0.00 179.01 180.41 1upm h LEU 87 N 1.17 1.01 -0.98 1.33 5.85 -1.16 0.22 115.31 122.75 1upm h LEU 87 Ca 0.30 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1upm h LEU 87 Cb -0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1upm h LEU 87 CO -0.06 0.79 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.44 1upm h GLU 88 N 1.13 0.66 -0.24 1.25 4.39 -0.77 -1.47 114.58 119.53 1upm h GLU 88 Ca 0.29 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 1upm h GLU 88 Cb -0.01 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1upm h GLU 88 CO -0.05 0.73 -0.20 1.49 -1.16 0.00 0.00 179.01 179.82 1upm h GLU 89 N 0.61 0.57 -0.31 2.33 4.81 -0.30 -2.24 114.58 120.05 1upm h GLU 89 Ca 0.11 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1upm h GLU 89 Cb 0.49 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1upm h GLU 89 CO 0.03 0.87 0.14 0.00 -0.73 0.00 0.00 179.01 179.32 1upm h LYS 91 N 0.30 0.81 -0.73 0.00 1.57 -1.25 0.15 116.57 117.43 1upm h LYS 91 Ca 0.13 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1upm h LYS 91 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1upm h LYS 91 CO -0.11 0.54 0.22 -0.22 -0.57 0.00 0.00 179.45 179.32 1upm h LYS 92 N 0.84 1.12 0.09 3.15 3.64 -1.21 -2.27 116.57 121.93 1upm h LYS 92 Ca 0.30 -0.24 -0.25 0.00 -1.27 0.00 0.00 60.65 59.18 1upm h LYS 92 Cb 0.07 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1upm h LYS 92 CO -0.13 0.96 -1.14 1.49 -2.27 0.00 0.00 179.45 178.36 1upm h GLU 93 N 1.08 0.26 -2.16 1.90 4.81 -1.06 -3.39 114.58 116.02 1upm h GLU 93 Ca 0.23 -0.40 -0.58 0.00 -0.13 0.00 0.00 59.36 58.48 1upm h GLU 93 Cb 0.31 0.14 -0.40 0.00 0.63 0.00 0.00 28.75 29.42 1upm h GLU 93 CO -0.01 1.16 -0.84 0.66 -0.73 0.00 0.00 179.01 179.26 1upm n TYR 94 N -3.56 1.66 0.35 0.92 4.01 0.48 -4.93 117.16 116.09 1upm n TYR 94 Ca -0.07 -3.86 0.14 0.00 -0.16 0.00 0.00 57.90 53.95 1upm n TYR 94 Cb 0.97 -0.43 0.57 0.00 -0.31 0.00 0.00 39.34 40.14 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 4.23 0.00 -0.18 -0.72 0.13 -1.62 -2.29 132.00 131.54 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 0.64 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.68 1upm n ASN 96 N -2.57 2.49 -4.90 1.44 6.94 -1.26 -4.54 115.26 112.86 1upm n ASN 96 Ca 0.01 -1.83 -0.24 0.00 -0.02 0.00 0.00 54.58 52.50 1upm n ASN 96 Cb 0.26 -0.11 -0.04 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 -1.78 3.81 0.18 -2.53 0.00 -0.86 -4.77 121.76 115.81 1upm s ALA 97 Ca 0.34 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1upm s ALA 97 Cb 0.20 -1.60 -0.08 0.00 0.00 0.00 0.00 23.12 21.65 1upm s ALA 97 CO 0.30 0.42 0.94 -0.06 0.00 0.00 0.00 175.76 177.37 1upm s PHE 98 N -1.85 3.91 -0.09 0.00 0.08 0.17 -3.61 117.98 116.59 1upm s PHE 98 Ca 0.33 1.86 0.01 0.00 0.12 0.00 0.00 56.93 59.25 1upm s PHE 98 Cb -0.10 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.37 1upm s PHE 98 CO 0.27 0.36 -0.10 0.42 -0.10 0.00 0.00 175.22 176.07 1upm s ILE 99 N -0.70 1.07 0.22 0.64 1.01 -0.88 -1.45 121.20 121.11 1upm s ILE 99 Ca 0.43 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.82 1upm s ILE 99 Cb -0.25 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1upm s ILE 99 CO 0.31 0.36 -0.19 0.00 0.00 0.00 0.00 174.94 175.42 1upm s ARG 100 N 1.23 1.70 -0.13 2.79 1.70 -0.29 -0.57 118.95 125.39 1upm s ARG 100 Ca -0.04 -1.55 -0.02 0.00 -0.47 0.00 0.00 55.73 53.64 1upm s ARG 100 Cb -0.14 -1.89 -0.03 0.00 -0.57 0.00 0.00 34.95 32.32 1upm s ARG 100 CO -0.03 0.38 -0.04 0.42 -1.08 0.00 0.00 175.30 174.95 1upm s ILE 101 N -1.97 3.90 0.18 4.99 1.01 -0.37 -1.86 121.20 127.08 1upm s ILE 101 Ca 0.25 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1upm s ILE 101 Cb -0.07 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1upm s ILE 101 CO 0.13 0.53 -0.13 0.27 0.00 0.00 0.00 174.94 175.74 1upm s ILE 102 N -0.08 1.53 -0.05 2.92 -4.36 -0.06 -1.79 121.20 119.31 1upm s ILE 102 Ca 0.02 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1upm s ILE 102 Cb -0.13 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.63 1upm s ILE 102 CO 0.03 -0.65 -0.06 -0.83 0.24 0.00 0.00 174.94 173.67 1upm s GLY 103 N -3.25 0.53 0.00 6.27 0.00 -0.61 -1.18 107.32 109.07 1upm s GLY 103 Ca 0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 44.72 44.68 1upm s GLY 103 CO 0.04 0.42 0.31 -1.36 0.00 0.00 0.00 173.10 172.51 1upm s PHE 104 N 0.94 3.62 -0.32 1.90 0.08 0.62 -0.79 117.98 124.02 1upm s PHE 104 Ca -0.11 0.71 -0.09 0.00 0.12 0.00 0.00 56.93 57.57 1upm s PHE 104 Cb -0.14 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1upm s PHE 104 CO 0.00 0.62 0.14 0.34 -0.10 0.00 0.00 175.22 176.22 1upm s ASP 105 N -1.47 5.45 0.35 1.36 -1.08 -0.80 -0.72 116.67 119.75 1upm s ASP 105 Ca 0.26 -0.72 0.25 0.00 -0.52 0.00 0.00 52.55 51.82 1upm s ASP 105 Cb -0.14 -1.96 0.68 0.00 -1.46 0.00 0.00 42.92 40.04 1upm s ASP 105 CO 0.14 -0.24 1.72 0.77 0.52 0.00 0.00 175.17 178.08 1upm h SER 106 N 8.32 0.00 -0.11 -0.34 4.64 -1.92 0.63 113.55 124.77 1upm h SER 106 Ca -0.30 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.79 1upm h SER 106 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1upm h SER 106 CO 0.62 0.00 -0.85 0.78 -0.87 0.00 0.00 176.83 176.51 1upm h ASN 107 N 0.00 0.94 0.54 4.97 2.35 -1.96 -3.30 115.58 119.12 1upm h ASN 107 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1upm h ASN 107 Cb 0.79 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1upm h ASN 107 CO 0.00 1.46 -1.44 0.54 -1.65 0.00 0.00 177.43 176.33 1upm n ARG 108 N -3.92 0.62 -3.50 0.81 1.74 -1.11 -4.99 116.66 106.31 1upm n ARG 108 Ca -0.08 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.75 1upm n ARG 108 Cb 0.78 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.47 -2.72 -3.79 5.56 2.13 0.22 -5.01 120.64 114.55 1upm n GLU 109 Ca -0.02 0.67 -0.13 0.00 0.66 0.00 0.00 57.16 58.34 1upm n GLU 109 Cb 0.56 -5.11 -0.14 0.00 0.27 0.00 0.00 31.44 27.01 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 -3.47 -0.03 -0.03 6.31 1.01 -1.14 -5.01 120.40 118.04 1upm s VAL 110 Ca 0.34 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1upm s VAL 110 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1upm s VAL 110 CO 0.80 0.05 1.27 -1.10 0.00 0.00 0.00 175.10 176.11 1upm s GLN 111 N 0.70 4.33 -0.00 2.72 -0.21 -1.26 -1.91 119.66 124.02 1upm s GLN 111 Ca -0.05 1.78 0.19 0.00 0.02 0.00 0.00 55.36 57.30 1upm s GLN 111 Cb -0.08 -3.54 -0.22 0.00 1.00 0.00 0.00 33.01 30.18 1upm s GLN 111 CO -0.03 -0.47 0.79 0.00 -2.12 0.00 0.00 175.29 173.46 1upm s ILE 113 N -2.85 0.62 -0.29 0.00 -1.09 -1.20 -4.95 121.20 111.43 1upm s ILE 113 Ca 0.06 -0.30 -0.11 0.00 -2.23 0.00 0.00 60.65 58.08 1upm s ILE 113 Cb 0.14 -0.54 0.12 0.00 -1.58 0.00 0.00 42.46 40.60 1upm s ILE 113 CO 0.79 0.19 0.63 -0.55 -1.23 0.00 0.00 174.94 174.77 1upm s SER 114 N 0.06 -1.04 0.01 3.58 0.15 -1.26 -1.58 113.70 113.62 1upm s SER 114 Ca -0.00 1.51 -0.20 0.00 0.70 0.00 0.00 55.95 57.96 1upm s SER 114 Cb -0.06 2.08 0.04 0.00 -1.71 0.00 0.00 66.02 66.37 1upm s SER 114 CO -0.00 -0.22 0.44 0.72 1.20 0.00 0.00 173.24 175.37 1upm s PHE 115 N 2.68 -0.33 0.03 3.44 -0.12 -0.74 -4.37 117.98 118.57 1upm s PHE 115 Ca -0.06 0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 56.94 1upm s PHE 115 Cb -0.11 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1upm s PHE 115 CO -0.19 -0.53 1.24 -1.50 -0.05 0.00 0.00 175.22 174.20 1upm s ILE 116 N -1.88 3.99 -0.05 -4.49 1.10 -1.26 -1.24 121.20 117.38 1upm s ILE 116 Ca -0.09 1.40 0.13 0.00 -0.51 0.00 0.00 60.65 61.58 1upm s ILE 116 Cb -0.02 -3.90 -0.19 0.00 0.15 0.00 0.00 42.46 38.50 1upm s ILE 116 CO 0.02 0.07 0.29 0.00 -2.11 0.00 0.00 174.94 173.21 1upm n ALA 117 N 4.42 2.53 -3.32 1.50 0.00 0.26 -4.91 120.51 120.99 1upm n ALA 117 Ca 0.10 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1upm n ALA 117 Cb 0.46 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.84 -0.43 -0.02 0.00 5.04 -0.92 -5.00 117.35 113.18 1upm s TYR 118 Ca -0.04 1.01 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 1upm s TYR 118 Cb 0.08 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.55 1upm s TYR 118 CO 0.52 -0.27 -0.10 0.15 -1.34 0.00 0.00 175.55 174.51 1upm s LYS 119 N -0.08 0.94 1.15 4.97 1.02 -1.26 -2.07 119.74 124.40 1upm s LYS 119 Ca -0.03 -0.36 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 1upm s LYS 119 Cb -0.03 -0.89 0.26 0.00 -0.52 0.00 0.00 37.83 36.65 1upm s LYS 119 CO 0.02 0.18 1.14 -1.25 -0.92 0.00 0.00 175.35 174.51 1upm s PRO 120 N -0.05 -0.78 0.11 -1.68 0.04 -1.24 -4.88 135.00 126.52 1upm s PRO 120 Ca 0.01 -0.05 -0.34 0.00 0.04 0.00 0.00 61.00 60.65 1upm s PRO 120 Cb -0.06 -1.65 -0.14 0.00 0.04 0.00 0.00 34.50 32.69 1upm s PRO 120 CO 0.00 -3.42 1.61 0.00 0.04 0.00 0.00 177.00 175.24 1upm n ALA 121 N -4.55 1.09 -0.57 8.56 0.00 -1.26 -2.39 120.51 121.38 1upm n ALA 121 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1upm n ALA 121 Cb 0.59 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.53 0.71 0.00 0.00 0.00 -1.26 -5.17 105.19 103.00 1upm n GLY 122 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1upm n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60