#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5s n GLU 3 N 0.00 0.52 0.25 0.00 4.07 -1.26 -4.81 120.64 119.41 1n5s n GLU 3 Ca 0.00 0.19 0.12 0.00 -0.06 0.00 0.00 57.16 57.42 1n5s n GLU 3 Cb 0.00 -1.50 0.65 0.00 -0.06 0.00 0.00 31.44 30.53 1n5s n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1n5s h VAL 4 N 0.66 0.50 -0.36 6.31 -1.51 -2.05 -2.66 116.25 117.15 1n5s h VAL 4 Ca -0.41 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 1n5s h VAL 4 Cb 1.40 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1n5s h VAL 4 CO 0.50 0.14 0.00 -0.46 -1.23 0.00 0.00 177.57 176.52 1n5s n ASN 5 N -3.49 4.18 -4.72 4.19 6.94 -1.26 -4.97 115.26 116.12 1n5s n ASN 5 Ca -0.01 -2.84 -0.42 0.00 -0.02 0.00 0.00 54.58 51.29 1n5s n ASN 5 Cb 0.30 -0.54 -0.03 0.00 -2.36 0.00 0.00 39.78 37.16 1n5s n ASN 5 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1n5s s ASP 6 N -1.55 6.66 0.64 0.53 -1.08 -1.01 -4.90 116.67 115.97 1n5s s ASP 6 Ca 0.43 2.55 0.34 0.00 -0.52 0.00 0.00 52.55 55.34 1n5s s ASP 6 Cb 0.33 -2.60 1.87 0.00 -1.46 0.00 0.00 42.92 41.06 1n5s s ASP 6 CO 0.12 -0.75 2.11 -0.65 0.52 0.00 0.00 175.17 176.51 1n5s h PRO 7 N 6.49 0.00 0.00 4.34 0.11 -1.93 -1.19 132.00 139.82 1n5s h PRO 7 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1n5s h PRO 7 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1n5s h PRO 7 CO 0.88 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1n5s h ARG 8 N 0.00 0.00 -6.32 1.05 3.08 -1.94 -3.39 114.38 106.85 1n5s h ARG 8 Ca 0.03 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.55 1n5s h ARG 8 Cb 0.44 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1n5s h ARG 8 CO -0.00 0.00 1.11 0.08 -1.07 0.00 0.00 179.97 180.09 1n5s s VAL 9 N -3.61 3.70 -1.47 2.04 1.01 -0.45 -4.37 120.40 117.24 1n5s s VAL 9 Ca 0.01 0.47 0.20 0.00 0.00 0.00 0.00 61.98 62.66 1n5s s VAL 9 Cb 0.09 -4.65 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 1n5s s VAL 9 CO 0.49 -1.52 0.94 0.61 0.00 0.00 0.00 175.10 175.61 1n5s n GLY 10 N 5.38 -0.35 3.45 4.51 0.00 -0.82 -4.63 105.19 112.72 1n5s n GLY 10 Ca 0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1n5s n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5s s PHE 11 N -2.54 -0.69 0.03 1.61 5.36 -0.91 -4.63 117.98 116.21 1n5s s PHE 11 Ca 0.13 1.56 0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1n5s s PHE 11 Cb 0.16 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 43.12 1n5s s PHE 11 CO 0.64 -0.35 -0.10 0.08 -1.46 0.00 0.00 175.22 174.04 1n5s s VAL 12 N 0.77 0.78 -0.06 3.12 1.01 0.93 -0.48 120.40 126.46 1n5s s VAL 12 Ca -0.04 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1n5s s VAL 12 Cb -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1n5s s VAL 12 CO -0.06 -0.09 -0.23 0.00 0.00 0.00 0.00 175.10 174.72 1n5s s ALA 13 N -0.85 2.05 -0.29 5.51 0.00 -0.83 -1.29 121.76 126.06 1n5s s ALA 13 Ca -0.02 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1n5s s ALA 13 Cb -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.42 1n5s s ALA 13 CO 0.01 0.36 -0.04 0.08 0.00 0.00 0.00 175.76 176.17 1n5s s VAL 14 N -0.00 2.74 -0.17 0.00 1.01 -0.38 -1.07 120.40 122.53 1n5s s VAL 14 Ca -0.07 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 1n5s s VAL 14 Cb -0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1n5s s VAL 14 CO 0.05 -0.07 -0.05 -0.69 0.00 0.00 0.00 175.10 174.33 1n5s s VAL 15 N 1.21 3.62 -0.13 2.92 1.01 -0.19 -1.20 120.40 127.64 1n5s s VAL 15 Ca -0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1n5s s VAL 15 Cb -0.20 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1n5s s VAL 15 CO -0.02 0.48 -0.13 -0.89 0.00 0.00 0.00 175.10 174.53 1n5s s THR 16 N 0.67 3.04 -0.24 3.92 2.01 0.52 -0.65 115.64 124.91 1n5s s THR 16 Ca -0.03 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1n5s s THR 16 Cb -0.15 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1n5s s THR 16 CO 0.02 0.52 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 1n5s s PHE 17 N 0.40 3.05 -0.14 4.92 0.40 0.16 -1.28 117.98 125.48 1n5s s PHE 17 Ca -0.10 -1.47 -0.25 0.00 -0.60 0.00 0.00 56.93 54.51 1n5s s PHE 17 Cb -0.16 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 1n5s s PHE 17 CO 0.05 -0.71 0.79 -1.25 0.70 0.00 0.00 175.22 174.81 1n5s s PRO 18 N 1.35 4.34 0.23 0.24 0.04 -1.26 -1.10 135.00 138.83 1n5s s PRO 18 Ca 0.01 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.08 1n5s s PRO 18 Cb -0.16 -3.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 1n5s s PRO 18 CO -0.04 -0.22 -0.05 0.14 0.04 0.00 0.00 177.00 176.87 1n5s s VAL 19 N 1.76 1.34 -2.30 -0.36 -7.23 -0.16 -1.02 120.40 112.43 1n5s s VAL 19 Ca 0.38 -2.09 0.27 0.00 -1.81 0.00 0.00 61.98 58.73 1n5s s VAL 19 Cb -0.17 -2.28 0.63 0.00 0.56 0.00 0.00 36.38 35.11 1n5s s VAL 19 CO 0.14 -0.40 1.83 -0.90 -0.31 0.00 0.00 175.10 175.47 1n5s n ASP 20 N -0.44 1.03 0.00 4.85 5.75 -0.35 -4.63 116.55 122.77 1n5s n ASP 20 Ca -0.06 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1n5s n ASP 20 Cb 0.63 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1n5s n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n5s n GLY 21 N 1.10 -0.30 0.33 6.12 0.00 -1.22 -4.98 105.19 106.24 1n5s n GLY 21 Ca 0.19 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.83 1n5s n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n5s h PRO 22 N 0.00 0.46 -0.57 1.61 0.11 -1.92 -0.62 132.00 131.06 1n5s h PRO 22 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1n5s h PRO 22 Cb 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 1n5s h PRO 22 CO 0.00 0.30 0.28 0.00 -0.21 0.00 0.00 178.00 178.37 1n5s h ALA 23 N 1.73 0.74 -0.23 -0.75 0.00 -1.94 -1.13 119.26 117.67 1n5s h ALA 23 Ca 0.20 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1n5s h ALA 23 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n5s h ALA 23 CO -0.05 0.30 -0.43 1.15 0.00 0.00 0.00 179.25 180.21 1n5s h THR 24 N 0.78 1.30 -0.57 0.00 2.02 -1.83 -1.22 112.91 113.38 1n5s h THR 24 Ca 0.20 -1.61 0.12 0.00 0.77 0.00 0.00 66.41 65.88 1n5s h THR 24 Cb 0.11 1.59 -0.09 0.00 -1.74 0.00 0.00 68.15 68.02 1n5s h THR 24 CO -0.03 0.51 0.02 1.56 0.37 0.00 0.00 175.52 177.95 1n5s h GLN 25 N 0.46 0.13 -0.39 6.66 4.20 -0.81 -0.07 115.11 125.30 1n5s h GLN 25 Ca 0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1n5s h GLN 25 Cb 0.94 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1n5s h GLN 25 CO 0.08 0.09 0.04 1.25 -0.67 0.00 0.00 178.83 179.63 1n5s h HIS 26 N 0.14 0.70 -0.80 2.96 2.76 -0.79 -1.88 115.15 118.24 1n5s h HIS 26 Ca 0.30 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1n5s h HIS 26 Cb 0.47 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1n5s h HIS 26 CO -0.33 0.71 0.45 0.87 -1.30 0.00 0.00 177.93 178.33 1n5s h LYS 27 N 0.49 1.10 -0.30 5.26 1.57 -0.86 -1.21 116.57 122.62 1n5s h LYS 27 Ca 0.12 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1n5s h LYS 27 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1n5s h LYS 27 CO 0.01 0.80 -0.05 1.25 -0.57 0.00 0.00 179.45 180.89 1n5s h LEU 28 N 1.11 0.57 -0.39 2.94 5.85 -0.85 0.47 115.31 125.01 1n5s h LEU 28 Ca 0.28 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1n5s h LEU 28 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1n5s h LEU 28 CO -0.05 0.79 0.06 0.58 -0.34 0.00 0.00 178.44 179.48 1n5s h VAL 29 N 0.34 1.24 -0.77 1.05 2.07 -1.11 -0.19 116.25 118.88 1n5s h VAL 29 Ca 0.08 -0.88 0.11 0.00 0.82 0.00 0.00 66.70 66.83 1n5s h VAL 29 Cb 0.53 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 1n5s h VAL 29 CO 0.03 0.30 0.40 -0.08 0.02 0.00 0.00 177.57 178.24 1n5s h GLU 30 N 0.50 0.63 -0.26 1.57 4.81 -1.08 -0.89 114.58 119.85 1n5s h GLU 30 Ca 0.12 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1n5s h GLU 30 Cb 0.38 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1n5s h GLU 30 CO 0.01 0.42 0.07 1.25 -0.73 0.00 0.00 179.01 180.02 1n5s h LEU 31 N 0.65 0.38 -1.63 1.64 5.85 -0.61 -1.17 115.31 120.42 1n5s h LEU 31 Ca 0.39 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1n5s h LEU 31 Cb 0.44 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1n5s h LEU 31 CO -0.29 0.50 -0.20 0.00 -0.34 0.00 0.00 178.44 178.11 1n5s h ALA 32 N 0.89 1.55 -0.39 1.25 0.00 -0.47 -2.59 119.26 119.50 1n5s h ALA 32 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n5s h ALA 32 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n5s h ALA 32 CO -0.00 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.75 1n5s n THR 33 N -4.13 1.88 0.88 0.00 -2.24 -0.39 -4.53 114.28 105.74 1n5s n THR 33 Ca -0.02 -1.46 0.10 0.00 -2.27 0.00 0.00 64.05 60.40 1n5s n THR 33 Cb 0.27 0.03 0.30 0.00 -2.10 0.00 0.00 70.33 68.84 1n5s n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5s n GLY 34 N 0.21 0.80 0.00 3.38 0.00 -0.45 -4.89 105.19 104.23 1n5s n GLY 34 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1n5s n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5s n GLY 35 N 1.24 1.72 0.24 -0.02 0.00 -1.26 -5.00 105.19 102.11 1n5s n GLY 35 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1n5s n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1n5s h VAL 36 N 0.00 1.06 -0.43 1.61 3.04 -1.84 -1.88 116.25 117.82 1n5s h VAL 36 Ca 0.00 -0.29 -0.30 0.00 -1.01 0.00 0.00 66.70 65.10 1n5s h VAL 36 Cb 0.00 1.16 -0.21 0.00 -2.01 0.00 0.00 31.29 30.23 1n5s h VAL 36 CO 0.00 0.08 -0.44 0.00 -1.01 0.00 0.00 177.57 176.20 1n5s n GLN 37 N -4.44 2.49 -0.33 4.17 10.64 -1.26 -4.69 117.38 123.96 1n5s n GLN 37 Ca -0.03 -3.62 0.08 0.00 -1.83 0.00 0.00 57.00 51.60 1n5s n GLN 37 Cb 0.16 -1.96 0.27 0.00 -0.86 0.00 0.00 30.24 27.85 1n5s n GLN 37 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1n5s h GLU 38 N 1.52 0.90 -0.07 2.61 4.57 -1.71 -0.84 114.58 121.56 1n5s h GLU 38 Ca 0.23 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1n5s h GLU 38 Cb 1.34 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1n5s h GLU 38 CO 0.48 0.60 0.06 0.11 -1.18 0.00 0.00 179.01 179.08 1n5s h TRP 39 N 0.93 0.00 0.00 0.92 5.08 -1.84 -2.41 115.95 118.62 1n5s h TRP 39 Ca 0.46 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.36 1n5s h TRP 39 Cb 0.49 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.64 1n5s h TRP 39 CO -0.00 0.00 -0.37 0.97 -1.28 0.00 0.00 178.44 177.76 1n5s h ILE 40 N 0.00 0.99 -0.54 0.12 2.10 -1.51 -3.30 117.51 115.37 1n5s h ILE 40 Ca 0.03 -1.40 0.10 0.00 1.08 0.00 0.00 64.86 64.67 1n5s h ILE 40 Cb 0.16 1.82 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 1n5s h ILE 40 CO -0.00 0.36 0.37 0.03 -1.08 0.00 0.00 178.15 177.83 1n5s h ARG 41 N 0.00 0.28 -0.02 2.19 3.08 -1.56 -1.57 114.38 116.78 1n5s h ARG 41 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1n5s h ARG 41 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1n5s h ARG 41 CO 0.05 0.18 -0.23 0.39 -1.07 0.00 0.00 179.97 179.29 1n5s n GLU 42 N -4.46 1.38 -1.77 0.04 -0.58 -1.24 -4.92 120.64 109.10 1n5s n GLU 42 Ca 0.09 -1.00 -0.42 0.00 -0.42 0.00 0.00 57.16 55.40 1n5s n GLU 42 Cb 0.40 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.76 1n5s n GLU 42 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1n5s s VAL 43 N -2.31 2.16 0.19 2.62 1.01 -0.59 -4.91 120.40 118.57 1n5s s VAL 43 Ca 0.26 0.10 -0.32 0.00 0.00 0.00 0.00 61.98 62.01 1n5s s VAL 43 Cb 0.19 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.39 1n5s s VAL 43 CO 0.46 0.01 1.70 -2.65 0.00 0.00 0.00 175.10 174.62 1n5s n PRO 44 N 4.07 2.63 0.00 2.72 -0.02 -1.26 -2.07 135.00 141.07 1n5s n PRO 44 Ca 0.16 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 1n5s n PRO 44 Cb 0.36 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1n5s n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5s n GLY 45 N 3.87 2.27 3.66 -1.23 0.00 -1.26 -4.85 105.19 107.64 1n5s n GLY 45 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1n5s n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5s s PHE 46 N -2.38 2.72 -0.13 1.61 5.36 -0.88 0.18 117.98 124.47 1n5s s PHE 46 Ca 0.00 0.89 0.04 0.00 -0.96 0.00 0.00 56.93 56.91 1n5s s PHE 46 Cb 0.00 -3.56 -0.11 0.00 -0.34 0.00 0.00 43.02 39.01 1n5s s PHE 46 CO 0.00 -2.00 -0.06 1.28 -1.46 0.00 0.00 175.22 172.98 1n5s n LEU 47 N 6.69 1.88 0.00 6.12 4.77 -0.75 -4.90 117.00 130.82 1n5s n LEU 47 Ca 0.14 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1n5s n LEU 47 Cb 0.45 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1n5s n LEU 47 CO 0.57 0.56 0.00 -1.54 -1.33 0.00 0.00 177.39 175.64 1n5s n SER 48 N -2.71 0.00 -3.74 -1.43 3.41 -1.03 -4.09 113.62 104.04 1n5s n SER 48 Ca -0.22 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.14 1n5s n SER 48 Cb 0.79 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.57 1n5s n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n5s s ALA 49 N -2.00 0.79 -0.18 7.33 0.00 -1.26 -1.22 121.76 125.22 1n5s s ALA 49 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1n5s s ALA 49 Cb 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1n5s s ALA 49 CO 0.00 -0.83 -0.09 0.99 0.00 0.00 0.00 175.76 175.84 1n5s s THR 50 N 1.95 3.22 -0.17 0.00 2.01 0.41 -4.95 115.64 118.11 1n5s s THR 50 Ca 0.02 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 1n5s s THR 50 Cb -0.15 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1n5s s THR 50 CO -0.07 0.48 0.08 -0.31 -0.69 0.00 0.00 174.62 174.11 1n5s s TYR 51 N 0.93 3.33 0.15 4.92 1.51 -1.26 -0.94 117.35 125.99 1n5s s TYR 51 Ca -0.02 0.21 0.10 0.00 -1.01 0.00 0.00 57.07 56.35 1n5s s TYR 51 Cb -0.15 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1n5s s TYR 51 CO 0.00 0.30 -0.23 -1.01 -1.11 0.00 0.00 175.55 173.50 1n5s s HIS 52 N 0.04 2.09 -0.23 2.71 3.76 0.11 -4.95 115.29 118.82 1n5s s HIS 52 Ca 0.07 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.48 1n5s s HIS 52 Cb -0.12 -1.08 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 1n5s s HIS 52 CO 0.00 0.36 0.14 0.00 -0.85 0.00 0.00 174.74 174.39 1n5s s ALA 53 N -1.48 3.54 0.45 -1.40 0.00 -1.26 -0.91 121.76 120.69 1n5s s ALA 53 Ca 0.15 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 1n5s s ALA 53 Cb -0.08 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 1n5s s ALA 53 CO 0.07 -0.18 1.38 -1.54 0.00 0.00 0.00 175.76 175.50 1n5s s SER 54 N 1.03 5.96 0.48 0.00 1.04 -0.31 -4.89 113.70 117.01 1n5s s SER 54 Ca 0.07 2.83 0.20 0.00 0.48 0.00 0.00 55.95 59.53 1n5s s SER 54 Cb -0.14 -2.65 1.21 0.00 0.10 0.00 0.00 66.02 64.54 1n5s s SER 54 CO 0.04 -1.11 2.03 0.71 0.98 0.00 0.00 173.24 175.88 1n5s h THR 55 N 2.28 0.88 -0.01 2.02 1.35 -1.97 -2.23 112.91 115.23 1n5s h THR 55 Ca -0.50 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1n5s h THR 55 Cb 1.26 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1n5s h THR 55 CO 0.61 0.16 0.00 -0.90 -0.25 0.00 0.00 175.52 175.14 1n5s n ASP 56 N -4.00 0.18 0.00 5.36 5.68 -1.26 -4.91 116.55 117.60 1n5s n ASP 56 Ca -0.02 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1n5s n ASP 56 Cb 0.25 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1n5s n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5s n GLY 57 N 0.89 0.78 0.02 6.12 0.00 -0.84 -4.90 105.19 107.27 1n5s n GLY 57 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1n5s n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n5s n THR 58 N -2.27 0.12 -3.73 2.61 -2.24 -1.26 -3.36 114.28 104.14 1n5s n THR 58 Ca 0.00 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1n5s n THR 58 Cb 0.01 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1n5s n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5s s ALA 59 N -3.12 -0.63 -0.12 6.98 0.00 -1.26 -0.99 121.76 122.63 1n5s s ALA 59 Ca 0.06 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1n5s s ALA 59 Cb 0.15 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1n5s s ALA 59 CO 0.78 -0.57 -0.17 0.08 0.00 0.00 0.00 175.76 175.88 1n5s s VAL 60 N -3.74 2.70 -0.09 0.00 1.01 -0.26 -1.16 120.40 118.85 1n5s s VAL 60 Ca 0.03 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1n5s s VAL 60 Cb 0.03 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1n5s s VAL 60 CO -0.11 0.53 -0.23 -0.69 0.00 0.00 0.00 175.10 174.60 1n5s s VAL 61 N 0.40 2.18 -0.21 2.92 1.01 -0.09 -0.67 120.40 125.94 1n5s s VAL 61 Ca -0.13 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1n5s s VAL 61 Cb -0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1n5s s VAL 61 CO 0.06 0.56 0.03 0.21 0.00 0.00 0.00 175.10 175.96 1n5s s ASN 62 N 0.19 5.07 -0.32 3.32 2.47 0.18 0.08 114.94 125.91 1n5s s ASN 62 Ca -0.14 -0.16 -0.09 0.00 0.42 0.00 0.00 52.86 52.90 1n5s s ASN 62 Cb -0.17 -1.88 0.01 0.00 -1.45 0.00 0.00 41.25 37.77 1n5s s ASN 62 CO 0.07 0.05 0.14 -0.47 -3.72 0.00 0.00 177.10 173.17 1n5s s TYR 63 N 1.09 3.19 -0.12 0.43 5.04 -0.12 -1.02 117.35 125.85 1n5s s TYR 63 Ca 0.03 -0.90 0.02 0.00 -2.44 0.00 0.00 57.07 53.79 1n5s s TYR 63 Cb -0.14 -2.33 -0.00 0.00 0.35 0.00 0.00 41.96 39.83 1n5s s TYR 63 CO 0.02 -0.57 -0.20 0.00 -1.34 0.00 0.00 175.55 173.46 1n5s s ALA 64 N 1.54 2.33 -0.14 3.97 0.00 -0.23 -0.45 121.76 128.77 1n5s s ALA 64 Ca 0.03 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1n5s s ALA 64 Cb -0.18 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1n5s s ALA 64 CO 0.05 0.22 0.08 -0.65 0.00 0.00 0.00 175.76 175.46 1n5s s GLN 65 N 0.43 3.62 0.09 0.00 -0.21 -0.36 -1.96 119.66 121.27 1n5s s GLN 65 Ca -0.14 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.00 1n5s s GLN 65 Cb -0.17 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.67 1n5s s GLN 65 CO 0.06 0.53 -0.12 -1.58 -2.12 0.00 0.00 175.29 172.06 1n5s s TRP 66 N -0.34 1.18 0.30 0.91 0.52 0.37 -1.81 118.94 120.06 1n5s s TRP 66 Ca 0.09 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.74 1n5s s TRP 66 Cb -0.12 -0.65 0.46 0.00 -1.15 0.00 0.00 33.47 32.01 1n5s s TRP 66 CO 0.02 0.05 1.69 0.93 0.02 0.00 0.00 176.95 179.66 1n5s h GLU 67 N 3.86 0.16 -3.00 4.98 5.08 -0.47 -2.18 114.58 123.00 1n5s h GLU 67 Ca -0.39 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1n5s h GLU 67 Cb 1.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 1n5s h GLU 67 CO 0.47 0.59 0.22 -1.54 -1.00 0.00 0.00 179.01 177.75 1n5s s SER 68 N -6.89 -0.45 0.24 1.42 1.04 -1.26 -1.95 113.70 105.85 1n5s s SER 68 Ca -0.04 -0.23 -0.06 0.00 0.48 0.00 0.00 55.95 56.11 1n5s s SER 68 Cb 0.13 0.65 0.25 0.00 0.10 0.00 0.00 66.02 67.15 1n5s s SER 68 CO 0.77 -1.11 1.84 -0.08 0.98 0.00 0.00 173.24 175.64 1n5s h GLU 69 N 2.00 1.16 -0.63 4.02 4.81 -1.90 -2.09 114.58 121.96 1n5s h GLU 69 Ca -0.28 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1n5s h GLU 69 Cb 1.29 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1n5s h GLU 69 CO 0.32 0.89 0.24 0.37 -0.73 0.00 0.00 179.01 180.10 1n5s h GLN 70 N 1.16 0.93 -0.55 1.92 4.15 -1.99 0.18 115.11 120.90 1n5s h GLN 70 Ca 0.28 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1n5s h GLN 70 Cb 0.10 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1n5s h GLN 70 CO -0.04 0.76 0.02 0.00 -1.93 0.00 0.00 178.83 177.65 1n5s h ALA 71 N 1.36 0.74 -0.17 3.38 0.00 -1.86 0.66 119.26 123.37 1n5s h ALA 71 Ca 0.21 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n5s h ALA 71 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n5s h ALA 71 CO -0.02 0.55 0.07 -0.92 0.00 0.00 0.00 179.25 178.93 1n5s h TYR 72 N 0.84 0.13 -0.16 0.00 3.20 -1.05 0.12 116.97 120.05 1n5s h TYR 72 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1n5s h TYR 72 Cb 0.51 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1n5s h TYR 72 CO 0.04 0.07 0.06 0.00 -1.64 0.00 0.00 178.16 176.69 1n5s h ARG 73 N 0.16 0.25 0.01 1.82 3.08 -0.47 -0.08 114.38 119.14 1n5s h ARG 73 Ca 0.07 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1n5s h ARG 73 Cb 0.02 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1n5s h ARG 73 CO -0.06 0.35 -0.27 0.28 -1.07 0.00 0.00 179.97 179.21 1n5s h VAL 74 N 0.09 1.56 0.00 2.04 2.07 -0.84 0.11 116.25 121.28 1n5s h VAL 74 Ca 0.05 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 1n5s h VAL 74 Cb 0.20 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1n5s h VAL 74 CO -0.00 0.55 -0.88 0.78 0.02 0.00 0.00 177.57 178.03 1n5s h ASN 75 N -0.52 0.00 0.00 0.57 -0.26 -0.87 -3.36 115.58 111.14 1n5s h ASN 75 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1n5s h ASN 75 Cb 1.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 1n5s h ASN 75 CO 0.05 0.14 -0.18 0.33 -1.06 0.00 0.00 177.43 176.71 1n5s n PHE 76 N -2.82 0.00 -0.22 1.19 7.35 -0.20 -4.53 117.46 118.23 1n5s n PHE 76 Ca -0.01 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.75 1n5s n PHE 76 Cb 0.61 -0.09 0.33 0.00 0.35 0.00 0.00 39.48 40.68 1n5s n PHE 76 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1n5s h GLY 77 N -0.18 1.07 0.90 7.13 0.00 -1.02 -1.84 103.07 109.12 1n5s h GLY 77 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1n5s h GLY 77 CO 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 176.54 176.69 1n5s n ALA 78 N -2.43 2.69 -2.60 3.60 0.00 0.38 -4.74 120.51 117.40 1n5s n ALA 78 Ca 0.12 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 1n5s n ALA 78 Cb 0.26 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1n5s n ALA 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n5s s ASP 79 N -2.37 6.76 0.53 0.00 3.68 -0.69 -4.94 116.67 119.63 1n5s s ASP 79 Ca 0.33 0.90 0.30 0.00 2.13 0.00 0.00 52.55 56.21 1n5s s ASP 79 Cb 0.20 -2.28 1.39 0.00 -1.45 0.00 0.00 42.92 40.78 1n5s s ASP 79 CO 0.44 0.14 2.01 1.55 0.13 0.00 0.00 175.17 179.44 1n5s h PRO 80 N 5.85 0.00 0.00 4.34 0.13 -1.85 -1.51 132.00 138.96 1n5s h PRO 80 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n5s h PRO 80 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1n5s h PRO 80 CO 0.70 0.10 -0.00 0.00 -0.23 0.00 0.00 178.00 178.57 1n5s h ARG 81 N 0.00 0.00 -0.02 0.86 3.08 -1.92 0.15 114.38 116.53 1n5s h ARG 81 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1n5s h ARG 81 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1n5s h ARG 81 CO 0.01 0.00 -0.68 0.66 -1.07 0.00 0.00 179.97 178.89 1n5s h SER 82 N 0.00 0.11 0.08 7.04 4.64 -1.46 -0.90 113.55 123.06 1n5s h SER 82 Ca -0.00 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.04 1n5s h SER 82 Cb 0.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1n5s h SER 82 CO 0.00 0.76 -0.78 0.00 -0.87 0.00 0.00 176.83 175.94 1n5s h ALA 83 N 1.24 0.44 -0.25 5.18 0.00 -0.87 -1.08 119.26 123.91 1n5s h ALA 83 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.32 1n5s h ALA 83 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1n5s h ALA 83 CO 0.10 0.73 0.05 0.93 0.00 0.00 0.00 179.25 181.05 1n5s h GLU 84 N 0.39 0.14 -0.27 0.00 5.08 -1.10 -0.36 114.58 118.46 1n5s h GLU 84 Ca -0.05 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1n5s h GLU 84 Cb 1.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1n5s h GLU 84 CO 0.15 0.09 0.13 1.25 -1.00 0.00 0.00 179.01 179.63 1n5s h LEU 85 N 0.14 0.19 -0.46 1.33 5.85 -1.01 -1.42 115.31 119.93 1n5s h LEU 85 Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1n5s h LEU 85 Cb 0.12 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1n5s h LEU 85 CO -0.16 0.14 0.17 -0.09 -0.34 0.00 0.00 178.44 178.17 1n5s h ARG 86 N 0.27 0.34 -0.44 1.25 2.43 -0.92 0.07 114.38 117.38 1n5s h ARG 86 Ca 0.11 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1n5s h ARG 86 Cb 0.04 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1n5s h ARG 86 CO -0.08 0.23 0.25 0.93 -1.51 0.00 0.00 179.97 179.78 1n5s h GLU 87 N 0.35 0.48 -0.08 0.20 5.08 -0.54 0.61 114.58 120.68 1n5s h GLU 87 Ca 0.21 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1n5s h GLU 87 Cb 0.20 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1n5s h GLU 87 CO -0.21 0.32 -0.22 0.00 -1.00 0.00 0.00 179.01 177.90 1n5s h ALA 88 N 1.21 -0.22 0.00 3.43 0.00 -0.67 -1.88 119.26 121.13 1n5s h ALA 88 Ca 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1n5s h ALA 88 Cb 0.05 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1n5s h ALA 88 CO -0.10 -0.69 -0.24 -0.07 0.00 0.00 0.00 179.25 178.14 1n5s h LEU 89 N -0.31 0.00 0.00 0.00 3.38 -0.76 -2.73 115.31 114.89 1n5s h LEU 89 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n5s h LEU 89 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1n5s h LEU 89 CO -0.26 0.24 -0.03 -1.20 0.09 0.00 0.00 178.44 177.29 1n5s n SER 90 N -3.45 0.10 0.11 -0.43 7.64 0.18 -3.76 113.62 114.02 1n5s n SER 90 Ca -0.00 0.47 0.13 0.00 1.01 0.00 0.00 58.87 60.47 1n5s n SER 90 Cb 0.43 -0.48 0.40 0.00 -1.01 0.00 0.00 64.21 63.54 1n5s n SER 90 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1n5s h SER 91 N 0.00 0.00 -2.83 6.43 4.64 -1.03 -3.46 113.55 117.29 1n5s h SER 91 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1n5s h SER 91 Cb 0.52 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1n5s h SER 91 CO 0.00 0.00 0.89 -0.22 -0.87 0.00 0.00 176.83 176.63 1n5s s LEU 92 N -4.61 4.35 0.28 5.97 2.96 -1.25 -4.98 118.68 121.41 1n5s s LEU 92 Ca 0.10 2.34 -0.30 0.00 -0.22 0.00 0.00 54.13 56.05 1n5s s LEU 92 Cb 0.12 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.12 1n5s s LEU 92 CO 0.59 -0.78 1.53 -2.65 -1.32 0.00 0.00 176.35 173.72 1n5s n PRO 93 N 5.11 2.49 0.00 0.98 -0.02 -1.26 -2.46 135.00 139.83 1n5s n PRO 93 Ca 0.14 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1n5s n PRO 93 Cb 0.42 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1n5s n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5s n GLY 94 N 2.09 2.70 3.64 -1.23 0.00 -1.26 -4.94 105.19 106.19 1n5s n GLY 94 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1n5s n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n5s s LEU 95 N 0.00 4.00 0.00 0.99 2.96 -1.03 -1.21 118.68 124.39 1n5s s LEU 95 Ca 0.00 1.44 0.24 0.00 -0.22 0.00 0.00 54.13 55.59 1n5s s LEU 95 Cb 0.00 -3.54 0.24 0.00 0.50 0.00 0.00 46.19 43.39 1n5s s LEU 95 CO 0.00 -0.98 1.27 0.23 -1.32 0.00 0.00 176.35 175.55 1n5s n MET 96 N 7.09 1.75 -3.69 1.98 2.81 -0.19 -4.99 117.12 121.88 1n5s n MET 96 Ca 0.15 -1.39 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 1n5s n MET 96 Cb 0.46 -1.47 -0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1n5s n MET 96 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1n5s s GLY 97 N -2.21 -0.32 0.60 3.03 0.00 -1.26 -5.04 107.32 102.12 1n5s s GLY 97 Ca 0.25 0.44 -0.17 0.00 0.00 0.00 0.00 44.72 45.24 1n5s s GLY 97 CO 0.42 0.57 1.12 -4.14 0.00 0.00 0.00 173.10 171.06 1n5s s PRO 98 N -2.61 3.12 0.40 2.90 0.02 -1.26 -4.60 135.00 132.96 1n5s s PRO 98 Ca 0.15 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.39 1n5s s PRO 98 Cb 0.02 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 1n5s s PRO 98 CO -0.02 -1.01 1.39 -2.14 -0.33 0.00 0.00 177.00 174.90 1n5s s PRO 99 N -3.68 3.99 -0.17 5.54 0.02 -1.26 -4.76 135.00 134.68 1n5s s PRO 99 Ca 0.70 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 64.04 1n5s s PRO 99 Cb -0.22 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 1n5s s PRO 99 CO 0.34 -0.55 -0.01 0.15 -0.33 0.00 0.00 177.00 176.60 1n5s s LYS 100 N -2.18 3.73 0.10 5.54 1.02 -0.41 -4.94 119.74 122.59 1n5s s LYS 100 Ca 0.55 -0.48 0.08 0.00 0.02 0.00 0.00 55.97 56.14 1n5s s LYS 100 Cb -0.43 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1n5s s LYS 100 CO 0.56 0.21 -0.15 0.00 -0.92 0.00 0.00 175.35 175.05 1n5s s ALA 101 N 0.47 2.78 -0.08 5.17 0.00 -1.26 -0.35 121.76 128.49 1n5s s ALA 101 Ca -0.02 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.67 1n5s s ALA 101 Cb -0.14 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1n5s s ALA 101 CO 0.02 0.61 -0.11 0.08 0.00 0.00 0.00 175.76 176.36 1n5s s VAL 102 N -1.14 1.12 -0.09 0.00 1.01 -0.34 -4.99 120.40 115.97 1n5s s VAL 102 Ca 0.19 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1n5s s VAL 102 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1n5s s VAL 102 CO 0.11 0.36 0.18 -0.36 0.00 0.00 0.00 175.10 175.38 1n5s s PHE 103 N 0.90 3.61 0.08 5.22 0.08 -1.26 -1.25 117.98 125.36 1n5s s PHE 103 Ca -0.10 0.57 -0.26 0.00 0.12 0.00 0.00 56.93 57.26 1n5s s PHE 103 Cb -0.15 -1.97 0.08 0.00 -0.57 0.00 0.00 43.02 40.41 1n5s s PHE 103 CO 0.01 0.72 0.82 0.00 -0.10 0.00 0.00 175.22 176.67 1n5s s MET 104 N -1.14 1.06 -0.03 0.44 0.23 -0.41 -5.01 119.30 114.43 1n5s s MET 104 Ca 0.17 -0.45 0.06 0.00 -1.03 0.00 0.00 55.69 54.44 1n5s s MET 104 Cb -0.13 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1n5s s MET 104 CO 0.07 -0.47 -0.21 0.95 -2.03 0.00 0.00 175.02 173.33 1n5s s THR 105 N -3.35 1.70 0.26 3.16 -4.23 -1.26 -0.05 115.64 111.87 1n5s s THR 105 Ca 0.06 -0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 59.36 1n5s s THR 105 Cb -0.01 -1.42 -0.11 0.00 1.34 0.00 0.00 72.50 72.29 1n5s s THR 105 CO -0.07 0.48 1.59 -2.84 -0.54 0.00 0.00 174.62 173.24 1n5s s PRO 106 N -0.34 4.15 0.00 3.99 0.02 -1.26 -4.92 135.00 136.65 1n5s s PRO 106 Ca 0.04 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1n5s s PRO 106 Cb -0.10 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1n5s s PRO 106 CO 0.00 -0.62 0.00 0.54 -0.33 0.00 0.00 177.00 176.60 1n5s n ARG 107 N 2.68 4.37 -3.60 5.54 5.12 -1.26 -5.07 116.66 124.43 1n5s n ARG 107 Ca 0.10 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.97 1n5s n ARG 107 Cb 0.38 -0.38 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1n5s n ARG 107 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1n5s s GLY 108 N -0.72 -0.19 0.13 -0.13 0.00 -1.26 -5.18 107.32 99.97 1n5s s GLY 108 Ca 0.00 1.99 -0.12 0.00 0.00 0.00 0.00 44.72 46.59 1n5s s GLY 108 CO 0.00 0.76 0.31 0.00 0.00 0.00 0.00 173.10 174.18 1n5s s ALA 109 N -1.84 -0.47 -0.18 3.20 0.00 -1.26 -5.10 121.76 116.10 1n5s s ALA 109 Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 1n5s s ALA 109 Cb -0.01 0.67 0.05 0.00 0.00 0.00 0.00 23.12 23.83 1n5s s ALA 109 CO -0.05 -0.61 -0.06 0.42 0.00 0.00 0.00 175.76 175.46 1n5s s ILE 110 N -3.87 1.24 0.30 0.00 1.01 -1.26 -5.13 121.20 113.50 1n5s s ILE 110 Ca 0.07 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1n5s s ILE 110 Cb 0.03 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1n5s s ILE 110 CO -0.08 0.09 0.08 -0.76 0.00 0.00 0.00 174.94 174.26 1n5s s LEU 111 N 1.56 3.25 0.63 2.97 1.02 -1.26 -5.11 118.68 121.75 1n5s s LEU 111 Ca -0.01 -0.70 -0.16 0.00 0.02 0.00 0.00 54.13 53.28 1n5s s LEU 111 Cb -0.16 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 1n5s s LEU 111 CO -0.08 -0.16 1.11 -2.16 0.02 0.00 0.00 176.35 175.09 1n5s s PRO 112 N -3.77 2.95 0.00 1.29 0.05 -1.26 -5.30 135.00 128.96 1n5s s PRO 112 Ca 0.35 1.43 0.12 0.00 0.05 0.00 0.00 61.00 62.95 1n5s s PRO 112 Cb -0.04 -1.97 0.10 0.00 0.05 0.00 0.00 34.50 32.64 1n5s s PRO 112 CO 0.21 -1.14 0.89 0.45 0.05 0.00 0.00 177.00 177.46