#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5q n GLU 3 N 0.00 0.92 0.20 0.00 4.07 -1.26 -4.84 120.64 119.72 1n5q n GLU 3 Ca 0.00 0.36 0.06 0.00 -0.06 0.00 0.00 57.16 57.53 1n5q n GLU 3 Cb 0.00 -2.27 0.56 0.00 -0.06 0.00 0.00 31.44 29.66 1n5q n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1n5q h VAL 4 N 0.43 1.06 -0.52 6.31 -1.51 -2.04 -1.78 116.25 118.20 1n5q h VAL 4 Ca -0.49 -0.22 -0.14 0.00 -1.23 0.00 0.00 66.70 64.61 1n5q h VAL 4 Cb 1.36 1.00 -0.09 0.00 -2.13 0.00 0.00 31.29 31.43 1n5q h VAL 4 CO 0.51 0.07 0.12 -0.46 -1.23 0.00 0.00 177.57 176.59 1n5q n ASN 5 N -4.46 4.10 -4.73 4.19 6.94 -1.26 -4.98 115.26 115.06 1n5q n ASN 5 Ca -0.02 -3.27 -0.42 0.00 -0.02 0.00 0.00 54.58 50.85 1n5q n ASN 5 Cb 0.13 -0.66 -0.03 0.00 -2.36 0.00 0.00 39.78 36.86 1n5q n ASN 5 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1n5q s ASP 6 N -1.61 6.56 0.45 0.53 -1.08 -0.67 -4.88 116.67 115.97 1n5q s ASP 6 Ca 0.49 2.68 0.31 0.00 -0.52 0.00 0.00 52.55 55.51 1n5q s ASP 6 Cb 0.40 -2.60 1.62 0.00 -1.46 0.00 0.00 42.92 40.88 1n5q s ASP 6 CO 0.09 -0.82 1.94 1.55 0.52 0.00 0.00 175.17 178.45 1n5q h PRO 7 N 6.25 0.00 0.00 4.34 0.13 -1.93 -2.02 132.00 138.77 1n5q h PRO 7 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1n5q h PRO 7 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n5q h PRO 7 CO 0.88 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1n5q h ARG 8 N 0.00 0.00 -6.26 0.86 3.08 -1.95 -3.41 114.38 106.70 1n5q h ARG 8 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1n5q h ARG 8 Cb 0.06 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 1n5q h ARG 8 CO 0.00 0.00 1.14 0.08 -1.07 0.00 0.00 179.97 180.12 1n5q s VAL 9 N -3.39 3.64 -0.72 2.04 1.01 -0.76 -4.27 120.40 117.95 1n5q s VAL 9 Ca 0.05 0.31 0.21 0.00 0.00 0.00 0.00 61.98 62.55 1n5q s VAL 9 Cb 0.07 -4.69 -0.25 0.00 0.00 0.00 0.00 36.38 31.51 1n5q s VAL 9 CO 0.61 -1.64 0.80 0.61 0.00 0.00 0.00 175.10 175.49 1n5q n GLY 10 N 5.53 -1.02 3.63 4.51 0.00 -0.84 -4.70 105.19 112.30 1n5q n GLY 10 Ca 0.08 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1n5q n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5q s PHE 11 N -3.15 -0.77 -0.03 1.61 5.36 -0.86 -4.66 117.98 115.48 1n5q s PHE 11 Ca 0.03 1.89 0.03 0.00 -0.96 0.00 0.00 56.93 57.92 1n5q s PHE 11 Cb 0.15 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1n5q s PHE 11 CO 0.87 -0.37 -0.13 0.08 -1.46 0.00 0.00 175.22 174.21 1n5q s VAL 12 N 0.37 1.07 -0.06 3.12 1.01 0.04 -0.84 120.40 125.10 1n5q s VAL 12 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1n5q s VAL 12 Cb -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1n5q s VAL 12 CO 0.01 0.32 -0.17 0.00 0.00 0.00 0.00 175.10 175.26 1n5q s ALA 13 N 0.14 2.52 -0.24 5.51 0.00 -0.51 -0.95 121.76 128.23 1n5q s ALA 13 Ca -0.04 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1n5q s ALA 13 Cb -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.16 1n5q s ALA 13 CO 0.01 0.48 -0.12 0.08 0.00 0.00 0.00 175.76 176.21 1n5q s VAL 14 N -0.44 2.05 -0.15 0.00 1.01 -0.08 -0.78 120.40 122.00 1n5q s VAL 14 Ca 0.05 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 60.61 1n5q s VAL 14 Cb -0.12 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1n5q s VAL 14 CO 0.02 0.08 -0.14 -0.69 0.00 0.00 0.00 175.10 174.37 1n5q s VAL 15 N 1.19 2.82 -0.16 2.92 1.01 -0.13 -0.36 120.40 127.68 1n5q s VAL 15 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1n5q s VAL 15 Cb -0.18 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1n5q s VAL 15 CO -0.07 0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 174.55 1n5q s THR 16 N 0.72 3.12 -0.25 3.92 2.01 0.79 -0.77 115.64 125.18 1n5q s THR 16 Ca -0.06 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1n5q s THR 16 Cb -0.15 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1n5q s THR 16 CO 0.02 0.49 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.06 1n5q s PHE 17 N 0.77 3.04 -0.09 4.92 0.40 0.29 -0.80 117.98 126.52 1n5q s PHE 17 Ca -0.04 -1.14 -0.30 0.00 -0.60 0.00 0.00 56.93 54.86 1n5q s PHE 17 Cb -0.15 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 1n5q s PHE 17 CO 0.01 -0.61 1.01 -1.25 0.70 0.00 0.00 175.22 175.09 1n5q s PRO 18 N 1.44 4.44 0.29 0.24 0.04 -1.26 -1.48 135.00 138.70 1n5q s PRO 18 Ca 0.03 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1n5q s PRO 18 Cb -0.16 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1n5q s PRO 18 CO -0.02 -0.28 -0.04 0.14 0.04 0.00 0.00 177.00 176.84 1n5q s VAL 19 N 1.86 1.57 -1.58 -0.36 -7.23 0.53 -0.84 120.40 114.34 1n5q s VAL 19 Ca 0.49 -2.10 0.27 0.00 -1.81 0.00 0.00 61.98 58.84 1n5q s VAL 19 Cb -0.19 -2.51 0.32 0.00 0.56 0.00 0.00 36.38 34.56 1n5q s VAL 19 CO 0.20 -0.25 1.70 -0.90 -0.31 0.00 0.00 175.10 175.53 1n5q n ASP 20 N -0.60 0.67 0.00 4.85 5.68 -0.01 -4.60 116.55 122.54 1n5q n ASP 20 Ca -0.05 -0.60 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 1n5q n ASP 20 Cb 0.64 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1n5q n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5q n GLY 21 N 1.34 -2.33 0.32 6.12 0.00 -1.21 -4.95 105.19 104.48 1n5q n GLY 21 Ca 0.12 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.90 1n5q n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5q h PRO 22 N 0.00 0.81 -0.60 1.61 0.13 -1.92 -0.04 132.00 131.99 1n5q h PRO 22 Ca 0.00 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1n5q h PRO 22 Cb 0.00 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 30.94 1n5q h PRO 22 CO 0.00 0.63 0.36 0.00 -0.23 0.00 0.00 178.00 178.76 1n5q h ALA 23 N 1.49 0.76 -0.47 -0.56 0.00 -1.94 0.08 119.26 118.63 1n5q h ALA 23 Ca 0.20 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1n5q h ALA 23 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1n5q h ALA 23 CO -0.03 0.25 -0.05 1.15 0.00 0.00 0.00 179.25 180.57 1n5q h THR 24 N 0.81 1.27 -0.19 0.00 2.02 -1.69 -1.96 112.91 113.17 1n5q h THR 24 Ca 0.21 -1.15 0.05 0.00 0.77 0.00 0.00 66.41 66.29 1n5q h THR 24 Cb -0.01 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 1n5q h THR 24 CO -0.04 0.40 -0.15 1.56 0.37 0.00 0.00 175.52 177.66 1n5q h GLN 25 N 0.72 -0.15 -0.50 6.66 4.20 -0.34 0.07 115.11 125.76 1n5q h GLN 25 Ca 0.13 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.90 1n5q h GLN 25 Cb 0.58 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 1n5q h GLN 25 CO 0.03 -0.10 0.22 1.25 -0.67 0.00 0.00 178.83 179.57 1n5q h HIS 26 N -0.16 0.41 -0.41 2.96 2.76 -0.89 -1.86 115.15 117.95 1n5q h HIS 26 Ca 0.11 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1n5q h HIS 26 Cb 0.33 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1n5q h HIS 26 CO -0.29 0.18 0.27 0.87 -1.30 0.00 0.00 177.93 177.65 1n5q h LYS 27 N 0.44 0.53 -0.49 5.26 1.57 -0.75 -0.51 116.57 122.62 1n5q h LYS 27 Ca 0.23 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1n5q h LYS 27 Cb 0.18 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1n5q h LYS 27 CO -0.19 0.35 0.25 1.25 -0.57 0.00 0.00 179.45 180.55 1n5q h LEU 28 N 0.55 0.37 0.06 2.94 5.85 -0.81 -0.05 115.31 124.22 1n5q h LEU 28 Ca 0.15 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1n5q h LEU 28 Cb -0.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1n5q h LEU 28 CO -0.04 0.26 -0.03 0.58 -0.34 0.00 0.00 178.44 178.87 1n5q h VAL 29 N 0.50 1.05 -0.80 1.05 2.07 -1.18 0.89 116.25 119.83 1n5q h VAL 29 Ca 0.21 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1n5q h VAL 29 Cb 0.10 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1n5q h VAL 29 CO -0.14 0.09 0.50 -0.33 0.02 0.00 0.00 177.57 177.71 1n5q h GLU 30 N -0.23 0.93 -0.41 1.57 4.39 -0.84 0.66 114.58 120.65 1n5q h GLU 30 Ca -0.01 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1n5q h GLU 30 Cb 0.20 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1n5q h GLU 30 CO 0.01 0.62 -0.15 1.25 -1.16 0.00 0.00 179.01 179.58 1n5q h LEU 31 N 0.96 0.76 -0.60 1.33 5.85 -0.84 -0.39 115.31 122.39 1n5q h LEU 31 Ca 0.33 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1n5q h LEU 31 Cb 0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1n5q h LEU 31 CO -0.13 0.92 -0.58 0.00 -0.34 0.00 0.00 178.44 178.31 1n5q h ALA 32 N 1.15 0.84 -0.24 1.25 0.00 -0.07 -3.21 119.26 118.98 1n5q h ALA 32 Ca 0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1n5q h ALA 32 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1n5q h ALA 32 CO 0.04 0.72 -0.01 0.25 0.00 0.00 0.00 179.25 180.26 1n5q n THR 33 N -3.56 2.27 -0.34 0.00 -2.24 0.15 -4.83 114.28 105.74 1n5q n THR 33 Ca -0.00 -2.03 -0.05 0.00 -2.27 0.00 0.00 64.05 59.70 1n5q n THR 33 Cb 0.65 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1n5q n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5q n GLY 34 N -0.70 -1.98 0.00 3.38 0.00 -0.17 -4.91 105.19 100.81 1n5q n GLY 34 Ca 0.22 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.22 1n5q n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5q n GLY 35 N -1.31 3.15 0.08 -0.02 0.00 -1.26 -4.86 105.19 100.97 1n5q n GLY 35 Ca 0.05 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.67 1n5q n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1n5q n VAL 36 N 0.00 0.00 0.49 1.61 3.14 -1.26 -2.09 118.33 120.22 1n5q n VAL 36 Ca 0.00 -0.04 0.09 0.00 -2.96 0.00 0.00 64.34 61.43 1n5q n VAL 36 Cb 0.00 -0.17 0.25 0.00 -1.06 0.00 0.00 33.84 32.86 1n5q n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n5q n GLN 37 N -1.09 2.17 -0.03 1.45 1.13 -1.26 -4.35 117.38 115.40 1n5q n GLN 37 Ca 0.13 -1.80 0.18 0.00 -1.94 0.00 0.00 57.00 53.57 1n5q n GLN 37 Cb 0.28 -1.42 0.63 0.00 0.11 0.00 0.00 30.24 29.85 1n5q n GLN 37 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1n5q h GLU 38 N 3.10 0.12 -0.25 -1.09 4.57 -1.82 -1.65 114.58 117.56 1n5q h GLU 38 Ca 0.00 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1n5q h GLU 38 Cb 0.70 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1n5q h GLU 38 CO 0.00 0.08 0.20 0.11 -1.18 0.00 0.00 179.01 178.21 1n5q h TRP 39 N 0.12 0.00 -0.47 0.92 5.08 -1.85 -2.28 115.95 117.47 1n5q h TRP 39 Ca 0.27 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.21 1n5q h TRP 39 Cb 0.90 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.03 1n5q h TRP 39 CO -0.00 0.00 0.17 0.82 -1.28 0.00 0.00 178.44 178.15 1n5q h ILE 40 N 0.00 1.18 -0.35 0.12 2.04 -1.65 -2.32 117.51 116.53 1n5q h ILE 40 Ca 0.12 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1n5q h ILE 40 Cb 0.51 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1n5q h ILE 40 CO -0.00 0.22 0.25 0.03 0.00 0.00 0.00 178.15 178.65 1n5q h ARG 41 N 0.67 0.05 -0.49 2.37 3.08 -1.58 -1.98 114.38 116.50 1n5q h ARG 41 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1n5q h ARG 41 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1n5q h ARG 41 CO -0.01 0.03 0.00 0.39 -1.07 0.00 0.00 179.97 179.31 1n5q n GLU 42 N -4.45 2.54 -2.47 0.04 1.02 -0.88 -4.94 120.64 111.49 1n5q n GLU 42 Ca 0.05 -2.35 -0.42 0.00 -0.02 0.00 0.00 57.16 54.43 1n5q n GLU 42 Cb 0.39 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1n5q n GLU 42 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n5q s VAL 43 N -1.37 4.05 0.26 2.62 1.01 -0.75 -4.93 120.40 121.29 1n5q s VAL 43 Ca 0.42 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.64 1n5q s VAL 43 Cb 0.23 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1n5q s VAL 43 CO 0.32 0.17 1.66 -2.65 0.00 0.00 0.00 175.10 174.59 1n5q n PRO 44 N 3.44 2.75 0.00 2.72 -0.02 -1.26 -1.70 135.00 140.92 1n5q n PRO 44 Ca 0.07 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1n5q n PRO 44 Cb 0.47 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1n5q n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5q n GLY 45 N 2.93 1.49 3.73 -1.23 0.00 -1.26 -4.84 105.19 106.01 1n5q n GLY 45 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1n5q n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5q s PHE 46 N -2.37 3.54 -0.06 1.61 5.36 -0.69 -0.25 117.98 125.12 1n5q s PHE 46 Ca 0.00 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1n5q s PHE 46 Cb 0.00 -3.32 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 1n5q s PHE 46 CO 0.00 -0.81 -0.05 1.28 -1.46 0.00 0.00 175.22 174.17 1n5q n LEU 47 N 2.82 2.95 -3.61 6.12 4.77 -0.45 -4.91 117.00 124.68 1n5q n LEU 47 Ca 0.04 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1n5q n LEU 47 Cb 0.46 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1n5q n LEU 47 CO 0.54 0.59 1.03 -0.94 -1.33 0.00 0.00 177.39 177.29 1n5q s SER 48 N -4.61 -0.14 -0.05 -1.43 1.04 -0.91 -4.26 113.70 103.34 1n5q s SER 48 Ca -0.08 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 1n5q s SER 48 Cb 0.02 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1n5q s SER 48 CO 0.14 -0.16 0.03 0.00 0.98 0.00 0.00 173.24 174.23 1n5q s ALA 49 N -1.47 0.43 -0.17 5.32 0.00 -1.26 -0.34 121.76 124.27 1n5q s ALA 49 Ca 0.07 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1n5q s ALA 49 Cb -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1n5q s ALA 49 CO -0.05 -0.44 -0.19 0.99 0.00 0.00 0.00 175.76 176.08 1n5q s THR 50 N 1.97 2.20 -0.09 0.00 2.01 -0.26 -4.97 115.64 116.51 1n5q s THR 50 Ca 0.04 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 1n5q s THR 50 Cb -0.12 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1n5q s THR 50 CO -0.04 0.53 0.26 -0.31 -0.69 0.00 0.00 174.62 174.37 1n5q s TYR 51 N 1.16 3.62 0.09 4.92 1.51 -1.26 -1.50 117.35 125.90 1n5q s TYR 51 Ca 0.02 0.70 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 1n5q s TYR 51 Cb -0.14 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1n5q s TYR 51 CO -0.09 0.62 -0.20 -1.01 -1.11 0.00 0.00 175.55 173.76 1n5q s HIS 52 N -0.79 1.75 -0.19 2.71 3.76 0.36 -4.96 115.29 117.93 1n5q s HIS 52 Ca 0.18 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 54.60 1n5q s HIS 52 Cb -0.14 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 1n5q s HIS 52 CO 0.07 0.18 0.07 0.00 -0.85 0.00 0.00 174.74 174.21 1n5q s ALA 53 N -1.12 3.40 0.68 -1.40 0.00 -1.26 -1.19 121.76 120.87 1n5q s ALA 53 Ca 0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 1n5q s ALA 53 Cb -0.10 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1n5q s ALA 53 CO 0.04 0.13 1.23 -1.54 0.00 0.00 0.00 175.76 175.62 1n5q s SER 54 N 0.45 4.50 0.47 0.00 1.04 -0.08 -4.88 113.70 115.21 1n5q s SER 54 Ca 0.03 2.42 0.21 0.00 0.48 0.00 0.00 55.95 59.10 1n5q s SER 54 Cb -0.13 -2.60 1.19 0.00 0.10 0.00 0.00 66.02 64.59 1n5q s SER 54 CO 0.00 -2.06 2.00 0.71 0.98 0.00 0.00 173.24 174.87 1n5q h THR 55 N 0.14 0.83 -0.11 2.02 1.35 -1.98 -2.53 112.91 112.63 1n5q h THR 55 Ca -0.49 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1n5q h THR 55 Cb 1.31 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1n5q h THR 55 CO 0.52 0.18 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 1n5q n ASP 56 N -3.88 1.11 0.00 5.36 5.68 -1.26 -4.93 116.55 118.62 1n5q n ASP 56 Ca -0.02 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1n5q n ASP 56 Cb 0.28 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1n5q n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5q n GLY 57 N 1.02 1.10 0.76 6.12 0.00 -0.95 -4.92 105.19 108.32 1n5q n GLY 57 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1n5q n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n5q n THR 58 N -2.00 0.00 -3.66 2.61 -2.24 -1.26 -3.30 114.28 104.43 1n5q n THR 58 Ca 0.00 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1n5q n THR 58 Cb 0.00 1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.45 1n5q n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5q s ALA 59 N -2.15 -1.05 -0.07 6.98 0.00 -1.26 -0.35 121.76 123.86 1n5q s ALA 59 Ca 0.26 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1n5q s ALA 59 Cb 0.20 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1n5q s ALA 59 CO 0.39 -0.42 -0.24 0.08 0.00 0.00 0.00 175.76 175.56 1n5q s VAL 60 N -2.20 2.00 -0.08 0.00 1.01 -0.55 -0.90 120.40 119.67 1n5q s VAL 60 Ca -0.07 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.92 1n5q s VAL 60 Cb -0.01 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1n5q s VAL 60 CO -0.00 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.78 1n5q s VAL 61 N -0.02 1.56 -0.25 2.92 1.01 -0.33 -0.54 120.40 124.75 1n5q s VAL 61 Ca -0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1n5q s VAL 61 Cb -0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1n5q s VAL 61 CO 0.05 0.45 0.07 0.21 0.00 0.00 0.00 175.10 175.88 1n5q s ASN 62 N 0.50 5.17 -0.35 3.32 2.47 0.05 -0.49 114.94 125.61 1n5q s ASN 62 Ca -0.16 -0.19 -0.13 0.00 0.42 0.00 0.00 52.86 52.80 1n5q s ASN 62 Cb -0.17 -1.93 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 1n5q s ASN 62 CO 0.06 -0.02 0.24 -0.47 -3.72 0.00 0.00 177.10 173.19 1n5q s TYR 63 N 1.56 3.23 -0.05 0.43 6.14 -0.56 -0.96 117.35 127.13 1n5q s TYR 63 Ca 0.06 -0.36 0.06 0.00 0.64 0.00 0.00 57.07 57.47 1n5q s TYR 63 Cb -0.15 -2.48 -0.01 0.00 0.42 0.00 0.00 41.96 39.74 1n5q s TYR 63 CO 0.04 -0.43 -0.23 0.00 0.64 0.00 0.00 175.55 175.57 1n5q s ALA 64 N 1.69 2.01 -0.15 3.97 0.00 0.04 -1.10 121.76 128.21 1n5q s ALA 64 Ca 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1n5q s ALA 64 Cb -0.18 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1n5q s ALA 64 CO 0.10 0.38 0.03 -0.65 0.00 0.00 0.00 175.76 175.61 1n5q s GLN 65 N -0.10 3.70 0.17 0.00 -0.21 0.53 -1.42 119.66 122.33 1n5q s GLN 65 Ca -0.04 -0.39 0.07 0.00 0.02 0.00 0.00 55.36 55.01 1n5q s GLN 65 Cb -0.13 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 1n5q s GLN 65 CO 0.03 0.36 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.85 1n5q s TRP 66 N 0.09 1.57 0.20 0.91 0.52 -0.02 -1.34 118.94 120.86 1n5q s TRP 66 Ca 0.03 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.58 1n5q s TRP 66 Cb -0.13 -0.76 0.11 0.00 -1.15 0.00 0.00 33.47 31.54 1n5q s TRP 66 CO 0.01 0.26 1.46 0.93 0.02 0.00 0.00 176.95 179.64 1n5q h GLU 67 N 2.84 0.23 -3.15 4.98 5.08 -0.80 -2.07 114.58 121.68 1n5q h GLU 67 Ca -0.38 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1n5q h GLU 67 Cb 1.21 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1n5q h GLU 67 CO 0.59 0.87 0.12 -1.54 -1.00 0.00 0.00 179.01 178.05 1n5q s SER 68 N -6.92 -0.37 0.21 1.42 1.04 -1.26 -2.88 113.70 104.93 1n5q s SER 68 Ca -0.04 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1n5q s SER 68 Cb 0.11 0.60 0.13 0.00 0.10 0.00 0.00 66.02 66.96 1n5q s SER 68 CO 0.82 -1.05 1.74 -0.08 0.98 0.00 0.00 173.24 175.65 1n5q h GLU 69 N 2.11 1.17 -0.81 4.02 4.22 -1.90 -2.27 114.58 121.12 1n5q h GLU 69 Ca -0.30 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 58.88 1n5q h GLU 69 Cb 1.28 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1n5q h GLU 69 CO 0.36 0.99 0.47 0.37 -2.18 0.00 0.00 179.01 179.03 1n5q h GLN 70 N 1.12 1.12 -0.67 1.92 4.15 -1.98 0.13 115.11 120.90 1n5q h GLN 70 Ca 0.24 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1n5q h GLN 70 Cb 0.32 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1n5q h GLN 70 CO -0.01 0.81 0.38 0.00 -1.93 0.00 0.00 178.83 178.08 1n5q h ALA 71 N 1.25 0.85 -0.36 3.38 0.00 -1.82 0.39 119.26 122.96 1n5q h ALA 71 Ca 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1n5q h ALA 71 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1n5q h ALA 71 CO -0.05 0.36 0.16 -0.92 0.00 0.00 0.00 179.25 178.80 1n5q h TYR 72 N 0.91 0.53 0.01 0.00 3.20 -1.06 -0.36 116.97 120.19 1n5q h TYR 72 Ca 0.24 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1n5q h TYR 72 Cb 0.02 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.14 1n5q h TYR 72 CO -0.01 0.47 -0.33 -0.09 -1.64 0.00 0.00 178.16 176.56 1n5q h ARG 73 N 0.43 0.21 0.00 1.82 2.43 -0.21 -0.16 114.38 118.90 1n5q h ARG 73 Ca 0.12 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1n5q h ARG 73 Cb 0.15 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1n5q h ARG 73 CO -0.01 0.97 -0.51 -0.39 -1.51 0.00 0.00 179.97 178.52 1n5q h VAL 74 N -0.46 0.00 0.00 0.20 -1.51 -0.27 -2.59 116.25 111.62 1n5q h VAL 74 Ca -0.04 -0.82 -0.27 0.00 -1.23 0.00 0.00 66.70 64.33 1n5q h VAL 74 Cb 1.09 1.54 -0.05 0.00 -2.13 0.00 0.00 31.29 31.74 1n5q h VAL 74 CO 0.06 0.00 -2.04 0.59 -1.23 0.00 0.00 177.57 174.96 1n5q n ASN 75 N -2.62 1.98 -0.10 4.19 5.03 -0.15 -4.22 115.26 119.36 1n5q n ASN 75 Ca 0.03 -0.05 -0.16 0.00 0.87 0.00 0.00 54.58 55.26 1n5q n ASN 75 Cb 0.51 0.26 -0.07 0.00 -1.02 0.00 0.00 39.78 39.46 1n5q n ASN 75 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1n5q n PHE 76 N -2.80 0.68 -0.26 3.10 7.35 -1.14 -4.19 117.46 120.20 1n5q n PHE 76 Ca -0.29 0.29 -0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1n5q n PHE 76 Cb 0.91 -0.90 0.21 0.00 0.35 0.00 0.00 39.48 40.05 1n5q n PHE 76 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1n5q h GLY 77 N -1.00 1.14 2.00 7.13 0.00 -0.79 -1.91 103.07 109.65 1n5q h GLY 77 Ca -0.26 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 1n5q h GLY 77 CO -0.16 0.42 -0.42 0.00 0.00 0.00 0.00 176.54 176.38 1n5q h ALA 78 N 1.49 1.00 -2.57 3.60 0.00 -1.64 -3.45 119.26 117.69 1n5q h ALA 78 Ca 0.30 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1n5q h ALA 78 Cb -0.13 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.63 1n5q h ALA 78 CO -0.06 0.53 0.81 0.34 0.00 0.00 0.00 179.25 180.87 1n5q s ASP 79 N -6.53 6.70 0.56 0.00 -1.08 -0.72 -4.90 116.67 110.70 1n5q s ASP 79 Ca -0.00 2.47 0.27 0.00 -0.52 0.00 0.00 52.55 54.77 1n5q s ASP 79 Cb 0.11 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 40.47 1n5q s ASP 79 CO 0.70 -0.75 1.98 -0.65 0.52 0.00 0.00 175.17 176.98 1n5q h PRO 80 N 6.85 0.00 0.00 4.34 0.11 -1.86 -0.00 132.00 141.44 1n5q h PRO 80 Ca -0.42 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1n5q h PRO 80 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n5q h PRO 80 CO 0.89 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.40 1n5q h ARG 81 N 0.00 0.00 -0.46 1.05 3.08 -1.90 -1.80 114.38 114.35 1n5q h ARG 81 Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1n5q h ARG 81 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1n5q h ARG 81 CO -0.00 0.28 -0.17 0.66 -1.07 0.00 0.00 179.97 179.67 1n5q h SER 82 N 0.00 0.90 -0.52 7.04 4.64 -1.19 -0.90 113.55 123.52 1n5q h SER 82 Ca -0.00 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1n5q h SER 82 Cb 0.73 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1n5q h SER 82 CO 0.04 1.05 0.04 0.00 -0.87 0.00 0.00 176.83 177.09 1n5q h ALA 83 N 1.02 1.02 -0.48 5.18 0.00 -1.51 -0.36 119.26 124.13 1n5q h ALA 83 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n5q h ALA 83 Cb 0.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1n5q h ALA 83 CO 0.05 0.61 0.26 1.49 0.00 0.00 0.00 179.25 181.67 1n5q h GLU 84 N 0.87 0.68 -0.41 0.00 4.81 -1.12 -1.47 114.58 117.93 1n5q h GLU 84 Ca 0.17 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1n5q h GLU 84 Cb 0.45 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1n5q h GLU 84 CO 0.02 0.54 -0.03 1.25 -0.73 0.00 0.00 179.01 180.06 1n5q h LEU 85 N 0.64 0.74 -0.69 1.64 5.85 -0.98 -1.46 115.31 121.05 1n5q h LEU 85 Ca 0.17 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1n5q h LEU 85 Cb 0.07 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1n5q h LEU 85 CO -0.03 0.89 0.41 -0.09 -0.34 0.00 0.00 178.44 179.29 1n5q h ARG 86 N 0.58 0.76 0.37 1.25 1.12 -0.93 0.74 114.38 118.27 1n5q h ARG 86 Ca 0.11 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.92 1n5q h ARG 86 Cb 0.53 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1n5q h ARG 86 CO 0.03 0.50 -0.18 0.93 -3.11 0.00 0.00 179.97 178.14 1n5q h GLU 87 N 0.78 -0.48 -0.02 0.20 4.39 -1.05 -1.59 114.58 116.82 1n5q h GLU 87 Ca 0.29 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.06 1n5q h GLU 87 Cb 0.10 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1n5q h GLU 87 CO -0.14 -0.30 -0.25 0.00 -1.16 0.00 0.00 179.01 177.16 1n5q h ALA 88 N 0.10 -0.31 -0.25 3.43 0.00 -0.91 -2.85 119.26 118.47 1n5q h ALA 88 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1n5q h ALA 88 Cb 0.40 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1n5q h ALA 88 CO 0.08 -0.74 0.01 -0.07 0.00 0.00 0.00 179.25 178.53 1n5q h LEU 89 N -0.37 0.42 -0.62 0.00 3.38 -0.85 -3.05 115.31 114.22 1n5q h LEU 89 Ca 0.07 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1n5q h LEU 89 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1n5q h LEU 89 CO -0.23 0.61 0.00 -1.54 0.09 0.00 0.00 178.44 177.37 1n5q n SER 90 N -4.65 0.51 0.00 -0.43 3.41 -0.60 -2.60 113.62 109.26 1n5q n SER 90 Ca -0.03 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1n5q n SER 90 Cb 0.23 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1n5q n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1n5q n SER 91 N -0.13 0.30 -4.75 4.04 7.64 -1.08 -4.98 113.62 114.66 1n5q n SER 91 Ca 0.00 -1.14 -0.41 0.00 1.01 0.00 0.00 58.87 58.33 1n5q n SER 91 Cb 0.13 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 1n5q n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1n5q s LEU 92 N -0.14 4.43 0.15 -3.43 2.96 -1.07 -4.95 118.68 116.63 1n5q s LEU 92 Ca 0.00 2.49 -0.31 0.00 -0.22 0.00 0.00 54.13 56.09 1n5q s LEU 92 Cb 0.00 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.97 1n5q s LEU 92 CO 0.00 -0.52 1.58 -2.84 -1.32 0.00 0.00 176.35 173.25 1n5q s PRO 93 N -0.64 4.21 0.00 0.98 0.02 -1.26 -3.09 135.00 135.22 1n5q s PRO 93 Ca 0.54 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1n5q s PRO 93 Cb -0.38 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1n5q s PRO 93 CO 0.42 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1n5q n GLY 94 N 3.80 1.48 3.75 0.52 0.00 -1.26 -4.95 105.19 108.52 1n5q n GLY 94 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1n5q n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5q s LEU 95 N 0.00 4.50 -0.07 0.99 1.43 -1.18 -0.83 118.68 123.53 1n5q s LEU 95 Ca 0.00 2.23 0.16 0.00 -1.03 0.00 0.00 54.13 55.49 1n5q s LEU 95 Cb 0.00 -3.62 0.55 0.00 0.03 0.00 0.00 46.19 43.16 1n5q s LEU 95 CO 0.00 -0.24 1.47 0.23 0.23 0.00 0.00 176.35 178.04 1n5q n MET 96 N 1.83 3.18 0.00 1.70 2.81 -0.02 -4.88 117.12 121.74 1n5q n MET 96 Ca 0.01 -2.59 0.00 0.00 -1.81 0.00 0.00 57.70 53.32 1n5q n MET 96 Cb 0.45 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1n5q n MET 96 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n5q n GLY 97 N 0.79 1.45 3.78 3.03 0.00 -1.26 -4.99 105.19 107.99 1n5q n GLY 97 Ca 0.21 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1n5q n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n5q s PRO 98 N -2.00 3.70 0.63 1.61 0.04 -1.26 -4.58 135.00 133.14 1n5q s PRO 98 Ca 0.00 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 1n5q s PRO 98 Cb 0.00 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1n5q s PRO 98 CO 0.00 -0.55 1.30 -2.30 0.04 0.00 0.00 177.00 175.49 1n5q n PRO 99 N -0.84 1.21 -4.70 0.56 -0.02 -1.26 -4.65 135.00 125.30 1n5q n PRO 99 Ca 0.09 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1n5q n PRO 99 Cb 0.51 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.28 1n5q n PRO 99 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n5q s LYS 100 N -3.29 2.52 0.02 -0.52 1.02 0.02 -4.94 119.74 114.56 1n5q s LYS 100 Ca 0.81 -0.68 0.04 0.00 0.02 0.00 0.00 55.97 56.16 1n5q s LYS 100 Cb -0.39 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 1n5q s LYS 100 CO 0.42 0.02 -0.07 0.00 -0.92 0.00 0.00 175.35 174.79 1n5q s ALA 101 N 0.75 3.00 -0.13 5.17 0.00 -1.26 -0.15 121.76 129.14 1n5q s ALA 101 Ca -0.11 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1n5q s ALA 101 Cb -0.16 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1n5q s ALA 101 CO 0.02 0.62 -0.19 0.08 0.00 0.00 0.00 175.76 176.28 1n5q s VAL 102 N -1.02 1.82 0.00 0.00 1.01 0.52 -4.98 120.40 117.75 1n5q s VAL 102 Ca 0.18 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1n5q s VAL 102 Cb -0.11 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1n5q s VAL 102 CO 0.08 0.50 0.17 -0.36 0.00 0.00 0.00 175.10 175.50 1n5q s PHE 103 N 0.93 3.51 0.13 5.22 0.08 -1.26 -0.90 117.98 125.68 1n5q s PHE 103 Ca -0.06 0.32 -0.25 0.00 0.12 0.00 0.00 56.93 57.06 1n5q s PHE 103 Cb -0.15 -1.80 0.07 0.00 -0.57 0.00 0.00 43.02 40.57 1n5q s PHE 103 CO -0.03 0.63 0.74 0.00 -0.10 0.00 0.00 175.22 176.46 1n5q s MET 104 N -2.02 1.21 -0.06 0.44 0.23 -0.13 -5.02 119.30 113.95 1n5q s MET 104 Ca 0.28 -0.52 0.03 0.00 -1.03 0.00 0.00 55.69 54.45 1n5q s MET 104 Cb -0.13 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1n5q s MET 104 CO 0.20 -0.54 -0.14 0.99 -2.03 0.00 0.00 175.02 173.50 1n5q s THR 105 N -3.55 3.06 0.24 3.16 2.01 -1.26 -0.78 115.64 118.52 1n5q s THR 105 Ca 0.05 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1n5q s THR 105 Cb -0.02 -2.21 -0.09 0.00 0.01 0.00 0.00 72.50 70.19 1n5q s THR 105 CO -0.07 0.58 1.32 -2.84 -0.69 0.00 0.00 174.62 172.91 1n5q s PRO 106 N -0.55 4.38 0.00 4.92 0.02 -1.26 -4.91 135.00 137.60 1n5q s PRO 106 Ca 0.08 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1n5q s PRO 106 Cb -0.12 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1n5q s PRO 106 CO 0.01 -0.23 0.00 0.54 -0.33 0.00 0.00 177.00 176.99 1n5q n ARG 107 N 2.11 3.80 -3.61 5.54 5.12 -1.26 -5.06 116.66 123.29 1n5q n ARG 107 Ca 0.04 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.92 1n5q n ARG 107 Cb 0.42 -0.56 -0.03 0.00 -1.16 0.00 0.00 32.46 31.13 1n5q n ARG 107 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1n5q s GLY 108 N -1.02 -0.15 -0.04 -0.13 0.00 -1.26 -5.17 107.32 99.54 1n5q s GLY 108 Ca 0.00 2.12 -0.14 0.00 0.00 0.00 0.00 44.72 46.70 1n5q s GLY 108 CO 0.00 0.81 0.31 0.00 0.00 0.00 0.00 173.10 174.22 1n5q s ALA 109 N -1.72 -0.78 -0.23 3.20 0.00 -1.26 -5.10 121.76 115.88 1n5q s ALA 109 Ca 0.08 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1n5q s ALA 109 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1n5q s ALA 109 CO -0.05 -0.23 -0.05 0.42 0.00 0.00 0.00 175.76 175.85 1n5q s ILE 110 N -0.94 3.24 0.16 0.00 1.01 -1.26 -5.10 121.20 118.31 1n5q s ILE 110 Ca -0.10 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1n5q s ILE 110 Cb -0.05 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1n5q s ILE 110 CO 0.03 0.38 -0.14 -0.76 0.00 0.00 0.00 174.94 174.46 1n5q s LEU 111 N 1.45 2.48 0.57 2.97 1.43 -1.26 -5.14 118.68 121.18 1n5q s LEU 111 Ca 0.05 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 52.05 1n5q s LEU 111 Cb -0.15 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1n5q s LEU 111 CO -0.04 -0.19 1.07 -2.16 0.23 0.00 0.00 176.35 175.26 1n5q s PRO 112 N -3.23 3.38 0.00 1.29 0.04 -1.26 -5.29 135.00 129.93 1n5q s PRO 112 Ca 0.16 1.32 0.26 0.00 0.04 0.00 0.00 61.00 62.77 1n5q s PRO 112 Cb -0.02 -2.04 0.61 0.00 0.04 0.00 0.00 34.50 33.09 1n5q s PRO 112 CO 0.04 -0.77 1.50 -1.13 0.04 0.00 0.00 177.00 176.67