#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 3.24 -0.23 2.12 0.74 -1.26 -5.09 119.66 119.19 1upm s GLN 2 Ca 0.00 -0.32 -0.10 0.00 0.05 0.00 0.00 55.36 54.99 1upm s GLN 2 Cb 0.00 -3.00 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 1upm s GLN 2 CO 0.00 0.71 0.15 0.08 -0.55 0.00 0.00 175.29 175.68 1upm s VAL 3 N -1.10 5.35 -0.06 1.34 1.01 -1.26 -5.04 120.40 120.64 1upm s VAL 3 Ca 0.19 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 1upm s VAL 3 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1upm s VAL 3 CO 0.09 0.38 1.40 0.86 0.00 0.00 0.00 175.10 177.83 1upm s TRP 4 N 0.83 2.68 1.11 5.22 -0.11 -1.26 -4.96 118.94 122.46 1upm s TRP 4 Ca 0.08 0.77 -0.14 0.00 1.22 0.00 0.00 56.10 58.02 1upm s TRP 4 Cb -0.13 -3.65 0.21 0.00 -1.50 0.00 0.00 33.47 28.40 1upm s TRP 4 CO 0.02 -2.45 0.76 -2.30 -4.62 0.00 0.00 176.95 168.36 1upm n PRO 5 N 6.11 -1.84 0.00 5.86 -0.02 -1.26 -5.00 135.00 138.86 1upm n PRO 5 Ca 0.14 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 1upm n PRO 5 Cb 0.44 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 -4.66 0.00 -4.36 4.25 0.13 -1.26 -4.94 119.36 108.51 1upm n ILE 6 Ca 0.04 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.35 1upm n ILE 6 Cb 0.55 -0.71 -0.10 0.00 -0.84 0.00 0.00 39.64 38.54 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 -3.16 3.48 -1.30 9.51 1.43 -1.26 -4.44 118.68 122.93 1upm s LEU 7 Ca 0.00 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1upm s LEU 7 Cb 0.00 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1upm s LEU 7 CO 0.00 0.30 0.68 0.59 0.23 0.00 0.00 176.35 178.14 1upm n ASN 8 N 2.69 -1.41 -1.66 2.29 5.03 -1.26 -4.90 115.26 116.05 1upm n ASN 8 Ca -0.18 -0.85 -0.03 0.00 0.87 0.00 0.00 54.58 54.40 1upm n ASN 8 Cb 0.53 -3.94 0.08 0.00 -1.02 0.00 0.00 39.78 35.43 1upm n ASN 8 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1upm n LEU 9 N -4.25 2.48 -4.77 3.41 7.94 -1.26 -5.06 117.00 115.48 1upm n LEU 9 Ca -0.29 -3.37 -0.41 0.00 -1.11 0.00 0.00 56.01 50.83 1upm n LEU 9 Cb 0.67 -0.12 -0.00 0.00 0.53 0.00 0.00 43.42 44.51 1upm n LEU 9 CO 0.69 1.23 1.15 0.29 -1.11 0.00 0.00 177.39 179.63 1upm n LYS 10 N -0.47 2.68 -4.51 1.96 4.76 -1.26 -5.03 118.16 116.29 1upm n LYS 10 Ca 0.18 0.94 -0.24 0.00 -2.87 0.00 0.00 58.31 56.32 1upm n LYS 10 Cb 0.90 -2.68 -0.11 0.00 -1.84 0.00 0.00 35.03 31.31 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 -1.99 1.77 -0.12 1.97 -0.14 -1.26 -5.09 119.74 114.88 1upm s LYS 11 Ca 0.54 -1.99 0.22 0.00 -1.36 0.00 0.00 55.97 53.38 1upm s LYS 11 Cb -0.48 -1.17 0.46 0.00 -1.68 0.00 0.00 37.83 34.96 1upm s LYS 11 CO 0.63 -0.13 1.16 0.66 -0.76 0.00 0.00 175.35 176.91 1upm n TYR 12 N -0.79 0.58 -4.60 3.18 4.02 -1.26 -5.10 117.16 113.18 1upm n TYR 12 Ca -0.03 -1.24 0.00 0.00 -0.01 0.00 0.00 57.90 56.62 1upm n TYR 12 Cb 0.67 -0.20 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 -0.10 0.00 -1.67 -0.72 -0.58 -1.26 -4.57 120.64 111.74 1upm n GLU 13 Ca 0.10 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.37 1upm n GLU 13 Cb 0.98 0.00 -0.04 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 0.16 -0.05 2.62 -1.04 -1.26 -1.91 114.28 112.79 1upm n THR 14 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1upm n THR 14 Cb 0.00 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 1upm n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upm n LEU 15 N 4.26 0.00 0.00 -4.42 4.77 -1.26 -4.61 117.00 115.73 1upm n LEU 15 Ca 0.19 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1upm n LEU 15 Cb 0.28 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.96 1upm n LEU 15 CO 0.66 0.00 0.92 -1.54 -1.33 0.00 0.00 177.39 176.10 1upm n SER 16 N 0.00 0.00 -0.41 -1.43 3.41 -0.80 -1.90 113.62 112.49 1upm n SER 16 Ca 0.00 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.06 1upm n SER 16 Cb 0.00 -0.44 0.55 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.44 0.05 -2.70 7.33 4.02 -1.26 -4.83 117.16 118.33 1upm n TYR 17 Ca 0.08 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.90 57.74 1upm n TYR 17 Cb 0.28 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.63 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 -1.87 3.33 0.77 7.72 1.43 -0.80 -5.08 118.68 124.18 1upm s LEU 18 Ca 0.37 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1upm s LEU 18 Cb 0.20 -2.81 0.06 0.00 0.03 0.00 0.00 46.19 43.67 1upm s LEU 18 CO 0.32 -1.09 1.21 -2.84 0.23 0.00 0.00 176.35 174.18 1upm s PRO 19 N -4.70 1.89 0.12 1.29 0.02 -1.26 -4.90 135.00 127.46 1upm s PRO 19 Ca 0.57 1.77 -0.35 0.00 0.02 0.00 0.00 61.00 63.01 1upm s PRO 19 Cb -0.10 -1.80 -0.15 0.00 0.02 0.00 0.00 34.50 32.46 1upm s PRO 19 CO 0.38 -2.03 1.48 -2.30 -0.33 0.00 0.00 177.00 174.20 1upm n PRO 20 N -2.99 1.69 -1.66 5.54 -0.02 -1.26 -4.86 135.00 131.44 1upm n PRO 20 Ca 0.14 0.61 -0.48 0.00 -2.02 0.00 0.00 63.50 61.75 1upm n PRO 20 Cb 0.50 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.11 2.95 -4.72 2.45 4.77 -1.26 -5.00 117.00 119.30 1upm n LEU 21 Ca 0.18 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 1upm n LEU 21 Cb 0.24 -1.37 0.17 0.00 -2.33 0.00 0.00 43.42 40.13 1upm n LEU 21 CO 0.63 -0.35 0.67 0.42 -1.33 0.00 0.00 177.39 177.44 1upm s THR 22 N 1.64 1.99 0.24 -5.08 -4.23 -1.26 -4.82 115.64 104.11 1upm s THR 22 Ca 0.83 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1upm s THR 22 Cb -0.73 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 70.73 1upm s THR 22 CO 0.43 0.00 1.87 0.71 -0.54 0.00 0.00 174.62 177.09 1upm h THR 23 N -1.79 1.26 -0.66 3.99 1.35 -1.99 -0.04 112.91 115.03 1upm h THR 23 Ca -0.53 -0.61 -0.06 0.00 -0.55 0.00 0.00 66.41 64.66 1upm h THR 23 Cb 1.33 -0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 1upm h THR 23 CO 0.59 0.28 0.18 0.44 -0.25 0.00 0.00 175.52 176.76 1upm h ASP 24 N 1.29 0.97 -0.47 5.36 3.32 -1.99 -1.04 116.42 123.87 1upm h ASP 24 Ca 0.33 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1upm h ASP 24 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1upm h ASP 24 CO -0.06 0.93 -0.16 1.56 -1.72 0.00 0.00 179.24 179.80 1upm h GLN 25 N 0.99 0.93 -0.24 3.56 4.20 -1.68 -2.14 115.11 120.73 1upm h GLN 25 Ca 0.21 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1upm h GLN 25 Cb 0.33 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1upm h GLN 25 CO -0.00 1.04 0.11 1.25 -0.67 0.00 0.00 178.83 180.56 1upm h LEU 26 N 0.78 0.16 -0.73 1.46 5.85 -0.85 -2.39 115.31 119.60 1upm h LEU 26 Ca 0.11 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1upm h LEU 26 Cb 0.72 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 1upm h LEU 26 CO 0.05 0.13 0.25 0.00 -0.34 0.00 0.00 178.44 178.53 1upm h ALA 27 N 1.12 0.99 0.00 1.25 0.00 -1.04 -2.00 119.26 119.58 1upm h ALA 27 Ca 0.10 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 27 Cb 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1upm h ALA 27 CO -0.07 -0.25 -0.48 0.00 0.00 0.00 0.00 179.25 178.44 1upm h ARG 28 N 0.38 0.00 -0.39 0.00 3.08 -0.97 -0.90 114.38 115.57 1upm h ARG 28 Ca 0.40 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.34 1upm h ARG 28 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1upm h ARG 28 CO -0.43 0.48 -0.20 1.96 -1.07 0.00 0.00 179.97 180.71 1upm h GLN 29 N 0.00 0.82 -0.38 0.04 1.08 -0.90 -0.86 115.11 114.92 1upm h GLN 29 Ca -0.00 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.82 1upm h GLN 29 Cb 0.88 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 1upm h GLN 29 CO 0.06 1.00 0.20 0.28 -0.95 0.00 0.00 178.83 179.43 1upm h VAL 30 N 0.63 1.15 -0.42 -0.54 2.07 -1.14 -2.19 116.25 115.82 1upm h VAL 30 Ca 0.08 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1upm h VAL 30 Cb 0.76 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1upm h VAL 30 CO 0.06 0.16 0.11 0.44 0.02 0.00 0.00 177.57 178.36 1upm h ASP 31 N 0.49 0.07 -0.77 0.57 3.32 -1.03 -1.49 116.42 117.57 1upm h ASP 31 Ca 0.13 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.34 1upm h ASP 31 Cb 0.07 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1upm h ASP 31 CO -0.02 0.07 0.43 0.22 -1.72 0.00 0.00 179.24 178.22 1upm h TYR 32 N 0.25 0.77 -0.01 4.55 3.20 -0.98 0.34 116.97 125.09 1upm h TYR 32 Ca 0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1upm h TYR 32 Cb 0.22 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1upm h TYR 32 CO -0.18 0.31 0.00 1.25 -1.64 0.00 0.00 178.16 177.90 1upm h LEU 33 N 0.72 0.02 -0.82 2.82 5.85 -0.88 -2.58 115.31 120.44 1upm h LEU 33 Ca 0.37 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1upm h LEU 33 Cb 0.34 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1upm h LEU 33 CO -0.25 0.26 0.48 -0.07 -0.34 0.00 0.00 178.44 178.52 1upm h LEU 34 N -0.22 1.01 -1.67 2.25 4.07 -1.08 -2.73 115.31 116.93 1upm h LEU 34 Ca 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1upm h LEU 34 Cb 0.25 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.73 1upm h LEU 34 CO 0.00 0.79 -0.12 0.78 -1.08 0.00 0.00 178.44 178.82 1upm h ASN 35 N 1.14 0.00 -0.13 -0.43 2.35 -0.23 0.13 115.58 118.40 1upm h ASN 35 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1upm h ASN 35 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1upm h ASN 35 CO -0.05 0.12 0.00 0.59 -1.65 0.00 0.00 177.43 176.43 1upm n ASN 36 N -3.39 1.53 -2.80 5.81 3.02 -0.98 -4.94 115.26 113.51 1upm n ASN 36 Ca -0.01 -1.65 -0.18 0.00 -0.03 0.00 0.00 54.58 52.72 1upm n ASN 36 Cb 0.30 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.22 -5.93 -3.69 3.52 5.02 0.44 -5.02 118.16 112.72 1upm n LYS 37 Ca 0.17 0.62 -0.28 0.00 -2.02 0.00 0.00 58.31 56.79 1upm n LYS 37 Cb 0.32 -5.01 -0.03 0.00 -0.02 0.00 0.00 35.03 30.28 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 -3.24 3.48 -0.21 2.13 0.51 -1.06 -4.95 118.94 115.61 1upm s TRP 38 Ca 0.43 0.36 -0.22 0.00 -2.12 0.00 0.00 56.10 54.56 1upm s TRP 38 Cb -0.19 -1.87 -0.02 0.00 -0.81 0.00 0.00 33.47 30.58 1upm s TRP 38 CO 0.54 0.38 0.70 0.08 -0.51 0.00 0.00 176.95 178.14 1upm s VAL 39 N -1.85 4.96 0.39 4.03 1.01 -0.41 -4.62 120.40 123.91 1upm s VAL 39 Ca 0.39 1.32 -0.25 0.00 0.00 0.00 0.00 61.98 63.44 1upm s VAL 39 Cb -0.11 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1upm s VAL 39 CO 0.29 0.06 1.08 -2.16 0.00 0.00 0.00 175.10 174.36 1upm s PRO 40 N 2.17 4.19 -0.07 2.72 0.04 -1.26 -0.38 135.00 142.41 1upm s PRO 40 Ca 0.31 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1upm s PRO 40 Cb -0.16 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.76 1upm s PRO 40 CO 0.10 -0.14 0.27 0.00 0.04 0.00 0.00 177.00 177.27 1upm s LEU 42 N -0.42 4.23 0.02 0.00 1.02 -1.26 -1.00 118.68 121.27 1upm s LEU 42 Ca -0.05 0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.42 1upm s LEU 42 Cb -0.04 -2.46 -0.02 0.00 0.02 0.00 0.00 46.19 43.70 1upm s LEU 42 CO 0.02 0.28 -0.07 -1.61 0.02 0.00 0.00 176.35 174.99 1upm s GLU 43 N -1.78 0.49 0.09 1.70 2.02 -0.75 -1.44 118.70 119.03 1upm s GLU 43 Ca 0.25 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 1upm s GLU 43 Cb -0.12 -0.33 -0.03 0.00 0.10 0.00 0.00 34.13 33.74 1upm s GLU 43 CO 0.16 0.07 0.07 -0.59 0.02 0.00 0.00 175.26 174.99 1upm s PHE 44 N -0.91 0.55 -0.28 1.61 -0.71 -0.29 -1.32 117.98 116.62 1upm s PHE 44 Ca -0.06 -1.00 -0.15 0.00 -1.04 0.00 0.00 56.93 54.68 1upm s PHE 44 Cb -0.07 -0.32 0.09 0.00 -1.21 0.00 0.00 43.02 41.51 1upm s PHE 44 CO 0.00 -0.49 0.69 -2.00 -1.34 0.00 0.00 175.22 172.08 1upm s GLU 45 N -3.96 0.68 -0.14 1.99 2.56 -0.49 -1.06 118.70 118.28 1upm s GLU 45 Ca 0.13 1.27 0.14 0.00 0.00 0.00 0.00 54.97 56.50 1upm s GLU 45 Cb 0.07 0.29 -0.19 0.00 2.00 0.00 0.00 34.13 36.30 1upm s GLU 45 CO -0.05 -0.16 0.08 0.25 -0.56 0.00 0.00 175.26 174.82 1upm n THR 46 N 4.54 0.94 -0.13 -1.70 -2.24 -1.26 -0.39 114.28 114.04 1upm n THR 46 Ca -0.18 -0.61 -0.26 0.00 -2.27 0.00 0.00 64.05 60.73 1upm n THR 46 Cb 0.57 -0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.51 1.88 -4.02 3.42 8.00 -1.26 -4.73 116.55 117.34 1upm n ASP 47 Ca -0.22 0.33 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 1upm n ASP 47 Cb 0.94 -0.78 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.55 3.60 0.45 1.24 3.76 -1.26 -4.94 115.29 115.59 1upm s HIS 48 Ca -0.36 -3.10 0.11 0.00 -0.15 0.00 0.00 55.06 51.56 1upm s HIS 48 Cb 0.13 -3.00 1.01 0.00 1.11 0.00 0.00 32.58 31.83 1upm s HIS 48 CO 0.46 -0.69 2.08 0.78 -0.85 0.00 0.00 174.74 176.52 1upm h GLY 49 N 6.05 0.32 -1.95 -2.22 0.00 -1.89 -3.44 103.07 99.94 1upm h GLY 49 Ca 0.09 -0.13 -0.61 0.00 0.00 0.00 0.00 47.33 46.69 1upm h GLY 49 CO 0.76 0.12 -0.64 -1.36 0.00 0.00 0.00 176.54 175.42 1upm s PHE 50 N -5.25 2.48 0.49 5.60 0.08 -1.26 -5.12 117.98 114.99 1upm s PHE 50 Ca -0.07 -0.51 -0.20 0.00 0.12 0.00 0.00 56.93 56.27 1upm s PHE 50 Cb 0.17 -1.50 -0.08 0.00 -0.57 0.00 0.00 43.02 41.03 1upm s PHE 50 CO 0.71 0.51 1.03 0.54 -0.10 0.00 0.00 175.22 177.91 1upm s VAL 51 N -2.60 3.87 0.35 -0.44 0.11 -1.26 -4.76 120.40 115.67 1upm s VAL 51 Ca 0.34 1.14 -0.13 0.00 -2.93 0.00 0.00 61.98 60.40 1upm s VAL 51 Cb 0.03 -3.47 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 1upm s VAL 51 CO 0.18 -0.27 0.69 -0.72 -3.33 0.00 0.00 175.10 171.65 1upm s TYR 52 N -2.04 0.30 -0.46 1.54 1.13 -0.74 -4.99 117.35 112.09 1upm s TYR 52 Ca 0.66 -0.83 0.03 0.00 -1.41 0.00 0.00 57.07 55.53 1upm s TYR 52 Cb -0.15 0.58 0.16 0.00 -1.10 0.00 0.00 41.96 41.44 1upm s TYR 52 CO 0.20 -1.39 0.33 1.03 -2.51 0.00 0.00 175.55 173.21 1upm s ARG 53 N -2.82 1.18 -0.21 -3.49 0.52 -1.26 -0.66 118.95 112.21 1upm s ARG 53 Ca 0.19 -2.17 -0.13 0.00 -0.52 0.00 0.00 55.73 53.10 1upm s ARG 53 Cb -0.04 -1.90 -0.19 0.00 0.52 0.00 0.00 34.95 33.34 1upm s ARG 53 CO 0.13 -1.30 0.05 -1.91 0.02 0.00 0.00 175.30 172.28 1upm n GLU 54 N 3.02 0.63 0.01 3.54 2.13 -1.26 -4.66 120.64 124.05 1upm n GLU 54 Ca 0.21 0.36 0.11 0.00 0.66 0.00 0.00 57.16 58.50 1upm n GLU 54 Cb 0.41 -1.64 -0.05 0.00 0.27 0.00 0.00 31.44 30.43 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 -3.99 0.14 -3.78 4.31 8.25 -1.26 -5.00 115.22 113.90 1upm n HIS 55 Ca -0.40 0.04 -0.06 0.00 -0.26 0.00 0.00 57.72 57.05 1upm n HIS 55 Cb 0.87 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 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 -3.21 -0.19 0.00 4.41 2.46 -1.26 -5.08 115.29 112.41 1upm s HIS 56 Ca 0.02 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.38 1upm s HIS 56 Cb 0.15 0.66 0.00 0.00 -0.13 0.00 0.00 32.58 33.26 1upm s HIS 56 CO 0.84 -1.01 0.18 0.09 -2.47 0.00 0.00 174.74 172.38 1upm n ASN 57 N -0.45 0.00 -4.86 9.88 3.02 -1.26 -4.83 115.26 116.76 1upm n ASN 57 Ca -0.06 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.20 1upm n ASN 57 Cb 0.60 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.86 1upm n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1upm s SER 58 N 0.00 4.49 0.05 6.41 1.04 -1.26 -4.90 113.70 119.53 1upm s SER 58 Ca 0.00 0.98 -0.34 0.00 0.48 0.00 0.00 55.95 57.07 1upm s SER 58 Cb 0.00 -1.60 -0.13 0.00 0.10 0.00 0.00 66.02 64.39 1upm s SER 58 CO 0.00 -1.93 1.72 -2.65 0.98 0.00 0.00 173.24 171.35 1upm n PRO 59 N -3.37 2.19 -0.53 4.02 -0.02 -1.26 -2.09 135.00 133.95 1upm n PRO 59 Ca 0.07 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1upm n PRO 59 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.27 3.67 -1.23 0.00 -1.26 -5.02 105.19 106.49 1upm n GLY 60 Ca 0.19 0.00 -0.39 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 -3.27 3.40 0.01 1.61 6.14 -0.89 -5.08 117.35 119.28 1upm s TYR 61 Ca 0.00 0.83 0.01 0.00 0.64 0.00 0.00 57.07 58.55 1upm s TYR 61 Cb 0.00 -2.68 -0.01 0.00 0.42 0.00 0.00 41.96 39.68 1upm s TYR 61 CO 0.00 -0.07 -0.04 0.71 0.64 0.00 0.00 175.55 176.79 1upm s TYR 62 N 1.53 0.32 0.50 4.97 2.02 -1.26 -4.75 117.35 120.68 1upm s TYR 62 Ca 0.26 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1upm s TYR 62 Cb -0.16 -0.21 -0.02 0.00 -0.40 0.00 0.00 41.96 41.17 1upm s TYR 62 CO 0.10 -0.08 0.79 -0.51 -1.57 0.00 0.00 175.55 174.29 1upm s ASP 63 N -0.81 6.09 0.00 2.29 1.01 0.16 -4.47 116.67 120.94 1upm s ASP 63 Ca -0.06 0.82 0.00 0.00 0.71 0.00 0.00 52.55 54.01 1upm s ASP 63 Cb -0.06 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1upm s ASP 63 CO -0.00 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.31 1upm n GLY 64 N -2.30 0.88 0.14 0.21 0.00 -1.26 -1.79 105.19 101.07 1upm n GLY 64 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1upm n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1upm h ARG 65 N 3.85 0.46 -6.44 1.61 3.08 -1.93 -3.43 114.38 111.58 1upm h ARG 65 Ca 0.00 -0.73 -0.54 0.00 0.07 0.00 0.00 59.98 58.78 1upm h ARG 65 Cb 0.00 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1upm h ARG 65 CO 0.00 1.34 0.53 0.71 -1.07 0.00 0.00 179.97 181.48 1upm s TYR 66 N -2.61 3.47 0.02 3.04 2.02 -1.26 -5.05 117.35 116.98 1upm s TYR 66 Ca -0.11 1.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 1upm s TYR 66 Cb 0.03 -3.34 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1upm s TYR 66 CO 0.90 -0.95 0.02 0.91 -1.57 0.00 0.00 175.55 174.85 1upm n TRP 67 N 4.07 -2.02 -4.42 2.71 7.02 -1.26 -5.10 117.44 118.44 1upm n TRP 67 Ca 0.08 -0.08 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 1upm n TRP 67 Cb 0.48 -0.02 -0.11 0.00 -2.42 0.00 0.00 31.31 29.24 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 0.26 4.06 0.10 -0.99 -1.32 -0.22 -4.89 115.64 112.63 1upm s THR 68 Ca 0.02 -0.32 -0.31 0.00 -1.21 0.00 0.00 61.69 59.86 1upm s THR 68 Cb -0.00 -2.73 -0.08 0.00 -1.51 0.00 0.00 72.50 68.18 1upm s THR 68 CO 0.01 0.56 1.42 -0.32 -2.21 0.00 0.00 174.62 174.07 1upm s MET 69 N -0.35 4.30 -0.40 7.08 1.75 -1.26 -1.14 119.30 129.28 1upm s MET 69 Ca 0.06 2.09 -0.26 0.00 -1.25 0.00 0.00 55.69 56.33 1upm s MET 69 Cb -0.12 -3.32 0.02 0.00 2.84 0.00 0.00 34.83 34.25 1upm s MET 69 CO 0.02 -0.49 0.95 -0.46 -0.65 0.00 0.00 175.02 174.40 1upm s TRP 70 N 1.42 3.01 0.00 4.11 -0.11 -0.52 -4.90 118.94 121.95 1upm s TRP 70 Ca 0.65 0.67 0.00 0.00 1.22 0.00 0.00 56.10 58.65 1upm s TRP 70 Cb -0.37 -3.82 0.00 0.00 -1.50 0.00 0.00 33.47 27.78 1upm s TRP 70 CO 0.30 -0.95 0.00 1.63 -4.62 0.00 0.00 176.95 173.31 1upm n LYS 71 N 7.00 0.00 -4.27 5.86 5.02 -1.26 -4.56 118.16 125.96 1upm n LYS 71 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 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 2.20 0.30 -0.35 1.43 -1.26 -5.10 118.68 115.89 1upm s LEU 72 Ca 0.00 -1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 51.65 1upm s LEU 72 Cb 0.00 -0.16 -0.13 0.00 0.03 0.00 0.00 46.19 45.93 1upm s LEU 72 CO 0.00 -0.52 1.21 -2.65 0.23 0.00 0.00 176.35 174.62 1upm n PRO 73 N -0.28 1.79 -2.02 1.29 -0.02 -1.26 -4.81 135.00 129.69 1upm n PRO 73 Ca -0.07 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1upm n PRO 73 Cb 0.63 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.93 3.66 -1.71 -0.52 2.81 -0.30 -4.97 117.12 117.02 1upm n MET 74 Ca 0.08 -3.16 -0.43 0.00 -1.81 0.00 0.00 57.70 52.38 1upm n MET 74 Cb 0.33 -2.93 -0.01 0.00 -0.71 0.00 0.00 33.22 29.89 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 3.89 2.44 -0.91 2.03 3.72 -1.26 -1.66 117.46 125.72 1upm n PHE 75 Ca 0.51 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 58.35 1upm n PHE 75 Cb 0.33 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.39 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 1.51 0.34 3.73 1.37 0.00 -1.26 -5.01 105.19 105.88 1upm n GLY 76 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 3.28 0.14 -4.10 0.00 -2.24 -1.26 -4.99 114.28 105.11 1upm n THR 78 Ca 0.10 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 1upm n THR 78 Cb 0.41 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.14 3.31 0.54 3.42 2.15 -1.26 -5.01 116.67 119.69 1upm s ASP 79 Ca 0.00 -0.76 0.27 0.00 0.43 0.00 0.00 52.55 52.49 1upm s ASP 79 Cb 0.00 -1.45 1.55 0.00 -0.30 0.00 0.00 42.92 42.72 1upm s ASP 79 CO 0.00 -0.04 2.13 1.55 -0.17 0.00 0.00 175.17 178.64 1upm h PRO 80 N 7.92 0.00 -0.38 4.34 0.13 -1.96 -1.95 132.00 140.10 1upm h PRO 80 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1upm h PRO 80 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1upm h PRO 80 CO 0.60 0.08 0.02 0.00 -0.23 0.00 0.00 178.00 178.46 1upm h ALA 81 N 1.92 1.32 0.18 -0.56 0.00 -1.99 -1.81 119.26 118.32 1upm h ALA 81 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1upm h ALA 81 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1upm h ALA 81 CO 0.01 0.47 -0.14 1.96 0.00 0.00 0.00 179.25 181.55 1upm h GLN 82 N 0.57 -0.31 -0.14 0.00 4.20 -1.78 -0.26 115.11 117.38 1upm h GLN 82 Ca 0.12 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1upm h GLN 82 Cb 0.34 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1upm h GLN 82 CO 0.01 -0.21 -0.13 0.28 -0.67 0.00 0.00 178.83 178.11 1upm h VAL 83 N -0.32 0.64 -0.33 -0.54 2.07 -1.56 -0.06 116.25 116.15 1upm h VAL 83 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1upm h VAL 83 Cb 0.29 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1upm h VAL 83 CO -0.01 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.62 1upm h LEU 84 N -0.15 0.43 -0.24 2.57 3.38 -1.30 -1.42 115.31 118.57 1upm h LEU 84 Ca 0.09 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 84 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1upm h LEU 84 CO -0.23 0.42 -0.03 -1.13 0.09 0.00 0.00 178.44 177.55 1upm h ASN 85 N 0.47 0.45 -0.99 -0.43 -0.73 -0.39 -1.95 115.58 112.02 1upm h ASN 85 Ca 0.11 -0.34 0.02 0.00 1.87 0.00 0.00 56.30 57.96 1upm h ASN 85 Cb 0.14 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 38.56 1upm h ASN 85 CO -0.01 0.69 0.65 -0.33 -0.37 0.00 0.00 177.43 178.06 1upm h GLU 86 N 0.21 1.27 -0.72 6.67 4.39 -0.66 -0.88 114.58 124.85 1upm h GLU 86 Ca 0.07 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1upm h GLU 86 Cb 0.47 -0.29 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1upm h GLU 86 CO 0.02 0.84 0.44 1.25 -1.16 0.00 0.00 179.01 180.40 1upm h LEU 87 N 1.30 0.70 -0.98 1.33 5.85 -1.13 0.16 115.31 122.54 1upm h LEU 87 Ca 0.38 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.05 1upm h LEU 87 Cb -0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1upm h LEU 87 CO -0.10 0.47 0.12 -0.33 -0.34 0.00 0.00 178.44 178.26 1upm h GLU 88 N 0.84 0.86 -0.27 1.25 4.39 -0.77 -1.09 114.58 119.79 1upm h GLU 88 Ca 0.30 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 1upm h GLU 88 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1upm h GLU 88 CO -0.14 0.78 -0.02 1.49 -1.16 0.00 0.00 179.01 179.97 1upm h GLU 89 N 0.83 0.49 -0.56 2.33 4.81 -0.05 -2.24 114.58 120.18 1upm h GLU 89 Ca 0.18 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1upm h GLU 89 Cb 0.32 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1upm h GLU 89 CO 0.00 0.66 0.32 0.00 -0.73 0.00 0.00 179.01 179.26 1upm h LYS 91 N 0.62 0.96 -0.53 0.00 1.57 -1.12 0.14 116.57 118.21 1upm h LYS 91 Ca 0.24 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1upm h LYS 91 Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1upm h LYS 91 CO -0.13 0.63 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.04 1upm h LYS 92 N 0.99 1.01 0.05 3.15 3.64 -1.24 -2.22 116.57 121.95 1upm h LYS 92 Ca 0.32 -0.38 -0.23 0.00 -1.27 0.00 0.00 60.65 59.08 1upm h LYS 92 Cb 0.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1upm h LYS 92 CO -0.12 1.06 -1.04 1.49 -2.27 0.00 0.00 179.45 178.58 1upm h GLU 93 N 0.89 0.26 -2.26 1.90 4.81 -1.14 -3.39 114.58 115.64 1upm h GLU 93 Ca 0.13 -0.35 -0.59 0.00 -0.13 0.00 0.00 59.36 58.43 1upm h GLU 93 Cb 0.70 0.11 -0.40 0.00 0.63 0.00 0.00 28.75 29.79 1upm h GLU 93 CO 0.05 1.09 -0.84 0.66 -0.73 0.00 0.00 179.01 179.25 1upm n TYR 94 N -3.61 1.46 0.35 0.92 4.01 0.46 -4.93 117.16 115.83 1upm n TYR 94 Ca -0.06 -3.84 0.14 0.00 -0.16 0.00 0.00 57.90 53.99 1upm n TYR 94 Cb 0.91 -0.37 0.56 0.00 -0.31 0.00 0.00 39.34 40.12 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 4.47 0.00 -0.32 -0.72 0.13 -1.61 -2.65 132.00 131.30 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 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1upm h PRO 95 CO 0.62 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 1upm n ASN 96 N -2.63 2.60 -4.81 1.44 6.94 -1.26 -4.54 115.26 113.00 1upm n ASN 96 Ca 0.02 -1.88 -0.23 0.00 -0.02 0.00 0.00 54.58 52.46 1upm n ASN 96 Cb 0.28 -0.21 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.59 3.55 0.18 -2.53 0.00 -1.00 -4.75 121.76 115.62 1upm s ALA 97 Ca 0.35 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1upm s ALA 97 Cb 0.20 -1.28 -0.08 0.00 0.00 0.00 0.00 23.12 21.96 1upm s ALA 97 CO 0.28 0.32 0.91 -0.06 0.00 0.00 0.00 175.76 177.21 1upm s PHE 98 N -2.04 3.91 -0.09 0.00 0.08 0.47 -3.68 117.98 116.63 1upm s PHE 98 Ca 0.32 1.82 0.01 0.00 0.12 0.00 0.00 56.93 59.20 1upm s PHE 98 Cb -0.08 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1upm s PHE 98 CO 0.24 0.38 -0.11 0.42 -0.10 0.00 0.00 175.22 176.06 1upm s ILE 99 N -0.76 1.14 0.24 0.64 1.01 -0.79 -1.40 121.20 121.28 1upm s ILE 99 Ca 0.42 -0.43 0.11 0.00 0.00 0.00 0.00 60.65 60.75 1upm s ILE 99 Cb -0.24 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1upm s ILE 99 CO 0.30 0.37 -0.21 0.00 0.00 0.00 0.00 174.94 175.40 1upm s ARG 100 N 1.11 1.59 -0.15 2.79 1.70 -0.44 -0.39 118.95 125.17 1upm s ARG 100 Ca -0.06 -1.66 -0.02 0.00 -0.47 0.00 0.00 55.73 53.51 1upm s ARG 100 Cb -0.14 -1.75 -0.02 0.00 -0.57 0.00 0.00 34.95 32.46 1upm s ARG 100 CO -0.02 0.35 -0.07 0.42 -1.08 0.00 0.00 175.30 174.90 1upm s ILE 101 N -2.22 3.58 0.26 4.99 1.01 -0.45 -1.81 121.20 126.56 1upm s ILE 101 Ca 0.26 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.51 1upm s ILE 101 Cb -0.06 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1upm s ILE 101 CO 0.13 0.50 -0.10 0.27 0.00 0.00 0.00 174.94 175.74 1upm s ILE 102 N 0.36 1.77 -0.03 2.92 -4.36 -0.17 -2.06 121.20 119.62 1upm s ILE 102 Ca -0.07 -2.18 -0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1upm s ILE 102 Cb -0.15 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.29 1upm s ILE 102 CO 0.04 -0.41 0.04 -0.83 0.24 0.00 0.00 174.94 174.02 1upm s GLY 103 N -3.41 0.19 -0.02 6.27 0.00 -0.73 -1.28 107.32 108.34 1upm s GLY 103 Ca 0.27 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.09 1upm s GLY 103 CO 0.11 0.99 0.34 -1.36 0.00 0.00 0.00 173.10 173.18 1upm s PHE 104 N 1.57 3.68 -0.37 1.90 0.08 0.49 -0.77 117.98 124.55 1upm s PHE 104 Ca -0.03 0.85 -0.10 0.00 0.12 0.00 0.00 56.93 57.77 1upm s PHE 104 Cb -0.13 -2.18 0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1upm s PHE 104 CO -0.03 0.65 0.20 0.34 -0.10 0.00 0.00 175.22 176.28 1upm s ASP 105 N -1.17 5.69 0.33 1.36 -1.08 -0.82 -1.29 116.67 119.69 1upm s ASP 105 Ca 0.23 -1.00 0.26 0.00 -0.52 0.00 0.00 52.55 51.52 1upm s ASP 105 Cb -0.15 -2.01 0.89 0.00 -1.46 0.00 0.00 42.92 40.19 1upm s ASP 105 CO 0.12 -0.38 1.77 0.77 0.52 0.00 0.00 175.17 177.97 1upm h SER 106 N 8.41 0.00 -0.13 -0.34 4.64 -1.93 0.53 113.55 124.74 1upm h SER 106 Ca -0.25 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 1upm h SER 106 Cb 1.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1upm h SER 106 CO 0.66 0.00 -0.58 0.78 -0.87 0.00 0.00 176.83 176.82 1upm h ASN 107 N 0.00 0.74 0.50 4.97 2.35 -1.96 -3.30 115.58 118.87 1upm h ASN 107 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 1upm h ASN 107 Cb 0.63 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1upm h ASN 107 CO 0.00 1.24 -1.16 0.54 -1.65 0.00 0.00 177.43 176.40 1upm n ARG 108 N -4.14 0.42 -3.64 0.81 1.74 -1.07 -4.99 116.66 105.79 1upm n ARG 108 Ca -0.08 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.73 1upm n ARG 108 Cb 0.64 -1.64 0.04 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.17 -1.95 -3.74 5.56 2.13 0.18 -5.01 120.64 115.64 1upm n GLU 109 Ca 0.01 0.53 -0.13 0.00 0.66 0.00 0.00 57.16 58.22 1upm n GLU 109 Cb 0.48 -4.53 -0.14 0.00 0.27 0.00 0.00 31.44 27.53 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 -3.51 -0.05 0.01 6.31 1.01 -1.15 -5.01 120.40 118.01 1upm s VAL 110 Ca 0.39 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 1upm s VAL 110 Cb -0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1upm s VAL 110 CO 0.84 0.07 1.42 -1.10 0.00 0.00 0.00 175.10 176.34 1upm s GLN 111 N 1.22 4.28 0.00 2.72 -0.21 -1.26 -1.94 119.66 124.46 1upm s GLN 111 Ca -0.09 2.01 0.20 0.00 0.02 0.00 0.00 55.36 57.50 1upm s GLN 111 Cb -0.11 -3.56 -0.13 0.00 1.00 0.00 0.00 33.01 30.20 1upm s GLN 111 CO -0.07 -0.58 0.92 0.00 -2.12 0.00 0.00 175.29 173.44 1upm s ILE 113 N -2.66 0.08 -0.29 0.00 -1.09 -1.19 -4.96 121.20 111.09 1upm s ILE 113 Ca 0.11 -0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.40 1upm s ILE 113 Cb 0.16 -0.10 0.13 0.00 -1.58 0.00 0.00 42.46 41.06 1upm s ILE 113 CO 0.70 0.04 0.76 -0.55 -1.23 0.00 0.00 174.94 174.67 1upm s SER 114 N 0.19 -0.92 -0.04 3.58 0.15 -1.26 -1.77 113.70 113.63 1upm s SER 114 Ca -0.02 1.33 -0.27 0.00 0.70 0.00 0.00 55.95 57.69 1upm s SER 114 Cb -0.03 1.84 0.06 0.00 -1.71 0.00 0.00 66.02 66.18 1upm s SER 114 CO -0.01 -0.19 0.60 0.72 1.20 0.00 0.00 173.24 175.56 1upm s PHE 115 N 2.33 -0.55 0.05 3.44 -0.12 -0.87 -4.35 117.98 117.90 1upm s PHE 115 Ca -0.07 0.92 -0.31 0.00 -0.05 0.00 0.00 56.93 57.43 1upm s PHE 115 Cb -0.08 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1upm s PHE 115 CO -0.19 -0.57 1.19 -1.50 -0.05 0.00 0.00 175.22 174.11 1upm s ILE 116 N -1.30 4.07 -0.06 -4.49 1.10 -1.26 -1.34 121.20 117.93 1upm s ILE 116 Ca -0.11 1.48 0.08 0.00 -0.51 0.00 0.00 60.65 61.59 1upm s ILE 116 Cb -0.01 -3.95 -0.11 0.00 0.15 0.00 0.00 42.46 38.54 1upm s ILE 116 CO 0.08 0.11 0.19 0.00 -2.11 0.00 0.00 174.94 173.21 1upm n ALA 117 N 4.00 2.38 -3.34 1.50 0.00 0.48 -4.92 120.51 120.60 1upm n ALA 117 Ca 0.09 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1upm n ALA 117 Cb 0.46 -0.26 -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 -2.41 -0.44 -0.02 0.00 5.04 -0.87 -5.00 117.35 113.65 1upm s TYR 118 Ca -0.02 0.97 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 1upm s TYR 118 Cb 0.05 0.18 -0.00 0.00 0.35 0.00 0.00 41.96 42.54 1upm s TYR 118 CO 0.31 -0.32 -0.12 0.15 -1.34 0.00 0.00 175.55 174.23 1upm s LYS 119 N -0.32 1.10 1.19 4.97 1.02 -1.26 -1.89 119.74 124.54 1upm s LYS 119 Ca -0.05 -0.42 -0.19 0.00 0.02 0.00 0.00 55.97 55.33 1upm s LYS 119 Cb -0.03 -1.03 0.28 0.00 -0.52 0.00 0.00 37.83 36.53 1upm s LYS 119 CO 0.03 0.21 1.13 -1.25 -0.92 0.00 0.00 175.35 174.55 1upm s PRO 120 N -0.08 -1.13 0.12 -1.68 0.04 -1.24 -4.86 135.00 126.17 1upm s PRO 120 Ca 0.01 -0.13 -0.33 0.00 0.04 0.00 0.00 61.00 60.59 1upm s PRO 120 Cb -0.07 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 1upm s PRO 120 CO 0.00 -3.64 1.69 0.00 0.04 0.00 0.00 177.00 175.10 1upm n ALA 121 N -4.69 1.67 -0.42 8.56 0.00 -1.26 -2.43 120.51 121.93 1upm n ALA 121 Ca 0.14 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1upm n ALA 121 Cb 0.60 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 3.80 0.78 0.00 0.00 0.00 -1.26 -5.17 105.19 103.33 1upm n GLY 122 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1upm n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60