#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 0.72 0.25 0.00 -0.58 -1.26 -4.84 120.64 114.94 1n5s n GLU 3 Ca 0.00 0.31 0.11 0.00 -0.42 0.00 0.00 57.16 57.16 1n5s n GLU 3 Cb 0.00 -2.45 0.67 0.00 -0.57 0.00 0.00 31.44 29.09 1n5s n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1n5s h VAL 4 N -0.05 0.73 -0.38 2.62 -1.51 -2.04 -2.19 116.25 113.43 1n5s h VAL 4 Ca -0.49 -0.56 -0.04 0.00 -1.23 0.00 0.00 66.70 64.39 1n5s h VAL 4 Cb 1.33 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.80 1n5s h VAL 4 CO 0.50 0.14 0.02 -0.46 -1.23 0.00 0.00 177.57 176.54 1n5s n ASN 5 N -3.83 4.26 -4.69 4.19 6.94 -1.26 -4.97 115.26 115.89 1n5s n ASN 5 Ca -0.02 -3.08 -0.42 0.00 -0.02 0.00 0.00 54.58 51.04 1n5s n ASN 5 Cb 0.24 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 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 -1.66 6.57 0.01 0.53 -1.08 -0.83 -4.88 116.67 115.33 1n5s s ASP 6 Ca 0.46 2.55 0.04 0.00 -0.52 0.00 0.00 52.55 55.08 1n5s s ASP 6 Cb 0.37 -2.57 0.17 0.00 -1.46 0.00 0.00 42.92 39.43 1n5s s ASP 6 CO 0.10 -0.90 1.12 -0.81 0.52 0.00 0.00 175.17 175.20 1n5s n PRO 7 N 5.46 0.01 0.21 4.34 -0.04 -1.26 -1.69 135.00 142.03 1n5s n PRO 7 Ca 0.16 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1n5s n PRO 7 Cb 0.40 -1.52 0.31 0.00 -0.04 0.00 0.00 33.50 32.65 1n5s n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5s h ARG 8 N 0.00 0.00 -6.37 0.54 3.08 -1.97 -3.41 114.38 106.25 1n5s h ARG 8 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1n5s h ARG 8 Cb 0.05 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 1n5s h ARG 8 CO 0.00 0.00 1.08 0.08 -1.07 0.00 0.00 179.97 180.06 1n5s s VAL 9 N -3.29 3.75 -0.68 2.04 1.01 -0.68 -4.26 120.40 118.28 1n5s s VAL 9 Ca 0.06 0.51 0.23 0.00 0.00 0.00 0.00 61.98 62.78 1n5s s VAL 9 Cb 0.07 -4.74 -0.15 0.00 0.00 0.00 0.00 36.38 31.57 1n5s s VAL 9 CO 0.63 -1.59 0.99 0.61 0.00 0.00 0.00 175.10 175.73 1n5s n GLY 10 N 5.34 -1.15 3.42 4.51 0.00 -0.43 -4.70 105.19 112.17 1n5s n GLY 10 Ca 0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.16 -0.61 -0.02 1.61 5.36 -0.70 -4.71 117.98 115.75 1n5s s PHE 11 Ca 0.04 1.44 0.04 0.00 -0.96 0.00 0.00 56.93 57.50 1n5s s PHE 11 Cb 0.15 0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 43.06 1n5s s PHE 11 CO 0.82 -0.30 -0.13 0.08 -1.46 0.00 0.00 175.22 174.22 1n5s s VAL 12 N 0.50 1.08 -0.05 3.12 1.01 0.12 -0.86 120.40 125.32 1n5s s VAL 12 Ca -0.02 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1n5s s VAL 12 Cb -0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1n5s s VAL 12 CO -0.02 0.31 -0.20 0.00 0.00 0.00 0.00 175.10 175.19 1n5s s ALA 13 N -0.20 2.39 -0.31 5.51 0.00 -0.71 -1.10 121.76 127.34 1n5s s ALA 13 Ca 0.03 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1n5s s ALA 13 Cb -0.07 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.32 1n5s s ALA 13 CO -0.00 0.47 -0.00 0.08 0.00 0.00 0.00 175.76 176.31 1n5s s VAL 14 N -0.40 2.60 -0.24 0.00 1.01 -0.48 -0.92 120.40 121.97 1n5s s VAL 14 Ca 0.04 -1.76 -0.07 0.00 0.00 0.00 0.00 61.98 60.19 1n5s s VAL 14 Cb -0.12 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1n5s s VAL 14 CO 0.02 -0.26 0.05 -0.69 0.00 0.00 0.00 175.10 174.22 1n5s s VAL 15 N 1.11 4.23 -0.15 2.92 1.01 0.03 -1.28 120.40 128.28 1n5s s VAL 15 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1n5s s VAL 15 Cb -0.20 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1n5s s VAL 15 CO -0.04 0.36 -0.02 -0.89 0.00 0.00 0.00 175.10 174.51 1n5s s THR 16 N 1.46 4.07 -0.27 3.92 2.01 0.79 -0.39 115.64 127.23 1n5s s THR 16 Ca 0.05 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1n5s s THR 16 Cb -0.15 -2.78 0.05 0.00 0.01 0.00 0.00 72.50 69.64 1n5s s THR 16 CO 0.03 0.51 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.04 1n5s s PHE 17 N 0.16 3.24 -0.05 4.92 0.40 0.78 -1.12 117.98 126.31 1n5s s PHE 17 Ca -0.00 -2.08 -0.30 0.00 -0.60 0.00 0.00 56.93 53.95 1n5s s PHE 17 Cb -0.13 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1n5s s PHE 17 CO 0.02 -0.84 1.40 -1.25 0.70 0.00 0.00 175.22 175.25 1n5s s PRO 18 N 1.18 4.26 0.27 0.24 0.04 -1.26 -1.00 135.00 138.73 1n5s s PRO 18 Ca -0.06 1.91 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1n5s s PRO 18 Cb -0.19 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 30.61 1n5s s PRO 18 CO -0.04 -0.63 -0.08 0.14 0.04 0.00 0.00 177.00 176.44 1n5s s VAL 19 N 2.86 1.68 -1.68 -0.36 -7.23 -0.22 -0.51 120.40 114.93 1n5s s VAL 19 Ca 0.63 -2.15 0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1n5s s VAL 19 Cb -0.29 -2.38 0.32 0.00 0.56 0.00 0.00 36.38 34.58 1n5s s VAL 19 CO 0.24 -0.35 1.66 -0.90 -0.31 0.00 0.00 175.10 175.44 1n5s n ASP 20 N -0.55 0.82 0.00 4.85 5.75 0.20 -4.58 116.55 123.04 1n5s n ASP 20 Ca -0.06 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1n5s n ASP 20 Cb 0.63 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.33 0.39 0.32 6.12 0.00 -1.20 -4.95 105.19 107.21 1n5s n GLY 21 Ca 0.13 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 45.24 1n5s n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5s h PRO 22 N 0.00 0.60 -0.41 1.61 0.13 -1.88 -1.02 132.00 131.04 1n5s h PRO 22 Ca 0.00 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 1n5s h PRO 22 Cb 0.00 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 30.96 1n5s h PRO 22 CO 0.00 0.40 0.19 0.00 -0.23 0.00 0.00 178.00 178.35 1n5s h ALA 23 N 1.61 0.50 -0.13 -0.56 0.00 -1.94 -2.34 119.26 116.40 1n5s h ALA 23 Ca 0.51 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 1n5s h ALA 23 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1n5s h ALA 23 CO -0.40 -0.18 -0.33 1.15 0.00 0.00 0.00 179.25 179.49 1n5s h THR 24 N 0.38 1.27 -0.29 0.00 2.02 -1.64 -2.32 112.91 112.34 1n5s h THR 24 Ca 0.18 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.09 1n5s h THR 24 Cb 0.11 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1n5s h THR 24 CO -0.14 0.40 0.02 1.56 0.37 0.00 0.00 175.52 177.72 1n5s h GLN 25 N 0.22 0.11 -0.48 6.66 4.20 -0.69 0.13 115.11 125.25 1n5s h GLN 25 Ca 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1n5s h GLN 25 Cb 0.69 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1n5s h GLN 25 CO 0.05 0.07 0.31 1.25 -0.67 0.00 0.00 178.83 179.85 1n5s h HIS 26 N 0.11 0.60 -0.68 2.96 2.76 -1.26 -2.12 115.15 117.52 1n5s h HIS 26 Ca 0.14 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1n5s h HIS 26 Cb 0.17 -0.20 -0.06 0.00 1.55 0.00 0.00 27.41 28.86 1n5s h HIS 26 CO -0.20 0.38 0.34 0.87 -1.30 0.00 0.00 177.93 178.02 1n5s h LYS 27 N 0.65 0.58 -0.43 5.26 1.79 -0.84 0.11 116.57 123.70 1n5s h LYS 27 Ca 0.17 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.48 1n5s h LYS 27 Cb -0.07 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1n5s h LYS 27 CO -0.04 0.39 -0.25 1.25 -1.08 0.00 0.00 179.45 179.72 1n5s h LEU 28 N 0.60 0.96 -0.24 2.94 7.12 -0.44 -0.45 115.31 125.80 1n5s h LEU 28 Ca 0.32 -0.42 -0.17 0.00 0.13 0.00 0.00 57.88 57.74 1n5s h LEU 28 Cb 0.30 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1n5s h LEU 28 CO -0.24 1.17 -0.53 0.58 -0.13 0.00 0.00 178.44 179.29 1n5s h VAL 29 N 0.75 1.29 -0.08 1.05 2.07 -0.98 0.59 116.25 120.95 1n5s h VAL 29 Ca 0.09 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1n5s h VAL 29 Cb 0.82 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1n5s h VAL 29 CO 0.07 0.55 -0.01 -0.33 0.02 0.00 0.00 177.57 177.87 1n5s h GLU 30 N 0.53 0.01 0.79 1.57 5.08 -0.75 0.27 114.58 122.08 1n5s h GLU 30 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1n5s h GLU 30 Cb 1.14 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1n5s h GLU 30 CO 0.12 0.01 -0.38 1.25 -1.00 0.00 0.00 179.01 179.01 1n5s h LEU 31 N 0.01 -0.89 -1.81 1.33 5.85 -0.94 -1.42 115.31 117.44 1n5s h LEU 31 Ca 0.04 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1n5s h LEU 31 Cb 0.05 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1n5s h LEU 31 CO -0.07 -0.55 0.38 0.00 -0.34 0.00 0.00 178.44 177.86 1n5s h ALA 32 N -1.13 2.23 -0.44 1.25 0.00 -0.83 -0.72 119.26 119.63 1n5s h ALA 32 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n5s h ALA 32 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1n5s h ALA 32 CO 0.18 -0.38 0.00 0.25 0.00 0.00 0.00 179.25 179.30 1n5s n THR 33 N -4.44 2.37 -0.33 0.00 -2.24 0.96 -4.82 114.28 105.78 1n5s n THR 33 Ca 0.10 -1.56 -0.08 0.00 -2.27 0.00 0.00 64.05 60.24 1n5s n THR 33 Cb 0.47 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.00 0.00 3.38 0.00 -0.28 -4.87 105.19 101.63 1n5s n GLY 34 Ca 0.24 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.20 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 -1.22 1.41 0.05 -0.02 0.00 -1.26 -4.87 105.19 99.27 1n5s n GLY 35 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1n5s n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1n5s n VAL 36 N 0.00 0.26 1.46 1.61 3.14 -1.26 -3.55 118.33 119.99 1n5s n VAL 36 Ca 0.00 -0.23 0.09 0.00 -2.96 0.00 0.00 64.34 61.24 1n5s n VAL 36 Cb 0.00 0.02 0.36 0.00 -1.06 0.00 0.00 33.84 33.16 1n5s n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n5s n GLN 37 N -1.99 1.47 0.28 1.45 3.00 -1.26 -4.32 117.38 116.01 1n5s n GLN 37 Ca 0.03 -0.71 0.19 0.00 -0.01 0.00 0.00 57.00 56.50 1n5s n GLN 37 Cb 0.42 -1.31 0.96 0.00 0.00 0.00 0.00 30.24 30.31 1n5s n GLN 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1n5s h GLU 38 N 1.36 0.00 0.00 -1.09 4.39 -1.96 -2.28 114.58 115.01 1n5s h GLU 38 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1n5s h GLU 38 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1n5s h GLU 38 CO 0.00 0.00 -0.04 0.11 -1.16 0.00 0.00 179.01 177.92 1n5s h TRP 39 N 0.00 0.00 -0.35 4.33 5.08 -1.90 -1.74 115.95 121.37 1n5s h TRP 39 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 1n5s h TRP 39 Cb 0.09 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.24 1n5s h TRP 39 CO 0.00 0.04 0.23 0.82 -1.28 0.00 0.00 178.44 178.25 1n5s h ILE 40 N 0.00 1.08 0.00 0.12 2.04 -1.77 -2.07 117.51 116.92 1n5s h ILE 40 Ca -0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1n5s h ILE 40 Cb 0.08 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1n5s h ILE 40 CO 0.01 0.08 -0.01 0.03 0.00 0.00 0.00 178.15 178.26 1n5s h ARG 41 N 0.46 0.00 -0.48 2.37 3.08 -1.51 -1.70 114.38 116.61 1n5s h ARG 41 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1n5s h ARG 41 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1n5s h ARG 41 CO -0.03 0.01 0.00 0.39 -1.07 0.00 0.00 179.97 179.27 1n5s n GLU 42 N -4.45 2.50 -2.16 0.04 1.02 -0.79 -4.96 120.64 111.85 1n5s n GLU 42 Ca -0.03 -2.30 -0.42 0.00 -0.02 0.00 0.00 57.16 54.40 1n5s n GLU 42 Cb 0.09 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1n5s n GLU 42 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n5s s VAL 43 N -1.38 3.27 0.23 2.62 1.01 -0.64 -4.93 120.40 120.58 1n5s s VAL 43 Ca 0.41 0.92 -0.32 0.00 0.00 0.00 0.00 61.98 62.99 1n5s s VAL 43 Cb 0.23 -3.59 -0.13 0.00 0.00 0.00 0.00 36.38 32.89 1n5s s VAL 43 CO 0.32 0.08 1.58 -2.65 0.00 0.00 0.00 175.10 174.42 1n5s n PRO 44 N 3.85 2.44 0.00 2.72 -0.02 -1.26 -1.58 135.00 141.15 1n5s n PRO 44 Ca 0.11 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1n5s n PRO 44 Cb 0.42 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 2.88 2.07 3.74 -1.23 0.00 -1.26 -4.82 105.19 106.56 1n5s n GLY 45 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.47 3.54 -0.06 1.61 5.36 -0.61 -0.43 117.98 124.92 1n5s s PHE 46 Ca 0.00 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.51 1n5s s PHE 46 Cb 0.00 -3.32 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 1n5s s PHE 46 CO 0.00 -0.80 -0.05 1.28 -1.46 0.00 0.00 175.22 174.19 1n5s n LEU 47 N 2.58 2.71 -3.59 6.12 4.77 -0.17 -4.92 117.00 124.49 1n5s n LEU 47 Ca 0.04 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1n5s n LEU 47 Cb 0.46 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1n5s n LEU 47 CO 0.54 0.56 0.97 -0.94 -1.33 0.00 0.00 177.39 177.19 1n5s s SER 48 N -4.53 -0.18 -0.07 -1.43 1.04 -0.89 -4.29 113.70 103.35 1n5s s SER 48 Ca -0.08 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 1n5s s SER 48 Cb 0.02 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1n5s s SER 48 CO 0.16 -0.25 0.00 0.00 0.98 0.00 0.00 173.24 174.13 1n5s s ALA 49 N -1.97 0.66 -0.18 5.32 0.00 -1.26 -0.65 121.76 123.69 1n5s s ALA 49 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1n5s s ALA 49 Cb -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1n5s s ALA 49 CO -0.05 -0.43 -0.14 0.99 0.00 0.00 0.00 175.76 176.14 1n5s s THR 50 N 1.91 1.74 -0.18 0.00 2.01 -0.39 -4.97 115.64 115.75 1n5s s THR 50 Ca 0.04 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 1n5s s THR 50 Cb -0.12 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 1n5s s THR 50 CO -0.05 0.36 0.22 -0.31 -0.69 0.00 0.00 174.62 174.15 1n5s s TYR 51 N 1.39 3.44 0.15 4.92 1.51 -1.26 -1.04 117.35 126.46 1n5s s TYR 51 Ca 0.02 0.48 0.10 0.00 -1.01 0.00 0.00 57.07 56.66 1n5s s TYR 51 Cb -0.14 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 1n5s s TYR 51 CO -0.10 0.26 -0.22 -1.01 -1.11 0.00 0.00 175.55 173.37 1n5s s HIS 52 N 0.42 2.02 -0.20 2.71 3.76 0.74 -4.97 115.29 119.77 1n5s s HIS 52 Ca 0.13 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1n5s s HIS 52 Cb -0.12 -1.05 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 1n5s s HIS 52 CO 0.01 0.34 0.04 0.00 -0.85 0.00 0.00 174.74 174.28 1n5s s ALA 53 N -1.52 3.19 0.47 -1.40 0.00 -1.26 -1.35 121.76 119.89 1n5s s ALA 53 Ca 0.14 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 1n5s s ALA 53 Cb -0.08 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 1n5s s ALA 53 CO 0.07 -0.08 1.42 -1.54 0.00 0.00 0.00 175.76 175.62 1n5s s SER 54 N 0.87 5.74 0.41 0.00 1.04 -0.46 -4.88 113.70 116.42 1n5s s SER 54 Ca 0.02 2.90 0.08 0.00 0.48 0.00 0.00 55.95 59.44 1n5s s SER 54 Cb -0.14 -2.65 0.88 0.00 0.10 0.00 0.00 66.02 64.21 1n5s s SER 54 CO 0.02 -1.27 2.03 0.71 0.98 0.00 0.00 173.24 175.71 1n5s h THR 55 N 2.12 1.11 0.00 2.02 1.35 -1.98 -2.57 112.91 114.96 1n5s h THR 55 Ca -0.51 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1n5s h THR 55 Cb 1.27 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1n5s h THR 55 CO 0.60 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 175.10 1n5s n ASP 56 N -4.43 0.00 0.00 5.36 5.68 -1.26 -4.91 116.55 116.99 1n5s n ASP 56 Ca 0.01 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1n5s n ASP 56 Cb 0.12 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.59 0.58 0.56 6.12 0.00 -0.97 -4.89 105.19 107.18 1n5s n GLY 57 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.69 0.00 -3.69 2.61 -2.24 -1.26 -3.00 114.28 104.01 1n5s n THR 58 Ca 0.00 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1n5s n THR 58 Cb 0.03 1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.21 -0.97 -0.10 6.98 0.00 -1.26 -1.06 121.76 123.14 1n5s s ALA 59 Ca 0.19 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1n5s s ALA 59 Cb 0.17 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1n5s s ALA 59 CO 0.47 -0.37 -0.22 0.08 0.00 0.00 0.00 175.76 175.71 1n5s s VAL 60 N -1.96 2.24 -0.10 0.00 1.01 -0.17 -1.35 120.40 120.07 1n5s s VAL 60 Ca -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1n5s s VAL 60 Cb -0.02 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1n5s s VAL 60 CO 0.01 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 1n5s s VAL 61 N 0.22 1.51 -0.29 2.92 1.01 -0.46 -0.15 120.40 125.15 1n5s s VAL 61 Ca -0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1n5s s VAL 61 Cb -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1n5s s VAL 61 CO 0.07 0.44 0.12 0.21 0.00 0.00 0.00 175.10 175.94 1n5s s ASN 62 N 0.91 5.39 -0.33 3.32 2.47 0.48 -0.19 114.94 126.99 1n5s s ASN 62 Ca -0.08 -0.46 -0.15 0.00 0.42 0.00 0.00 52.86 52.59 1n5s s ASN 62 Cb -0.15 -1.97 -0.02 0.00 -1.45 0.00 0.00 41.25 37.67 1n5s s ASN 62 CO -0.00 -0.15 0.37 -0.47 -3.72 0.00 0.00 177.10 173.13 1n5s s TYR 63 N 1.60 3.21 -0.11 0.43 6.14 -0.21 -0.79 117.35 127.63 1n5s s TYR 63 Ca 0.05 0.06 0.04 0.00 0.64 0.00 0.00 57.07 57.85 1n5s s TYR 63 Cb -0.17 -2.67 0.00 0.00 0.42 0.00 0.00 41.96 39.55 1n5s s TYR 63 CO 0.05 -0.40 -0.23 0.00 0.64 0.00 0.00 175.55 175.61 1n5s s ALA 64 N 2.05 2.17 -0.17 3.97 0.00 -0.10 -1.27 121.76 128.41 1n5s s ALA 64 Ca 0.13 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1n5s s ALA 64 Cb -0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1n5s s ALA 64 CO 0.12 0.21 0.11 -0.65 0.00 0.00 0.00 175.76 175.55 1n5s s GLN 65 N 0.46 3.90 0.08 0.00 -0.21 0.18 -1.73 119.66 122.34 1n5s s GLN 65 Ca -0.16 -0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.03 1n5s s GLN 65 Cb -0.17 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 1n5s s GLN 65 CO 0.06 0.44 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.98 1n5s s TRP 66 N -0.05 1.02 0.31 0.91 0.52 -0.04 -1.00 118.94 120.61 1n5s s TRP 66 Ca 0.09 -0.57 0.10 0.00 0.02 0.00 0.00 56.10 55.74 1n5s s TRP 66 Cb -0.12 -0.57 0.49 0.00 -1.15 0.00 0.00 33.47 32.13 1n5s s TRP 66 CO 0.00 -0.00 1.70 0.93 0.02 0.00 0.00 176.95 179.60 1n5s h GLU 67 N 3.97 0.07 -2.78 4.98 5.08 -0.92 -0.92 114.58 124.06 1n5s h GLU 67 Ca -0.38 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1n5s h GLU 67 Cb 1.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1n5s h GLU 67 CO 0.47 0.55 0.30 -1.54 -1.00 0.00 0.00 179.01 177.79 1n5s s SER 68 N -6.89 -0.38 0.40 1.42 1.04 -1.26 -2.90 113.70 105.13 1n5s s SER 68 Ca -0.03 -0.26 0.13 0.00 0.48 0.00 0.00 55.95 56.28 1n5s s SER 68 Cb 0.13 0.59 0.81 0.00 0.10 0.00 0.00 66.02 67.66 1n5s s SER 68 CO 0.75 -1.02 1.88 -0.08 0.98 0.00 0.00 173.24 175.75 1n5s h GLU 69 N 2.00 0.02 -0.59 4.02 4.22 -1.91 -2.89 114.58 119.44 1n5s h GLU 69 Ca -0.26 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.08 1n5s h GLU 69 Cb 1.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1n5s h GLU 69 CO 0.30 0.31 -0.00 1.96 -2.18 0.00 0.00 179.01 179.40 1n5s h GLN 70 N 0.02 1.03 -0.95 1.92 7.50 -1.99 -1.24 115.11 121.40 1n5s h GLN 70 Ca -0.00 -0.32 0.11 0.00 0.50 0.00 0.00 58.65 58.94 1n5s h GLN 70 Cb 0.53 -0.10 -0.08 0.00 0.05 0.00 0.00 27.48 27.89 1n5s h GLN 70 CO 0.04 1.01 0.59 0.00 -1.50 0.00 0.00 178.83 178.97 1n5s h ALA 71 N 1.04 1.40 -0.04 3.87 0.00 -1.83 -0.63 119.26 123.07 1n5s h ALA 71 Ca 0.17 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1n5s h ALA 71 Cb 0.55 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1n5s h ALA 71 CO 0.03 0.21 -0.38 -0.92 0.00 0.00 0.00 179.25 178.19 1n5s h TYR 72 N 0.95 0.46 -0.12 0.00 3.20 -1.47 -1.37 116.97 118.62 1n5s h TYR 72 Ca 0.46 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1n5s h TYR 72 Cb 0.42 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1n5s h TYR 72 CO -0.02 0.99 -0.09 -0.09 -1.64 0.00 0.00 178.16 177.31 1n5s h ARG 73 N -0.20 0.26 0.00 1.82 2.43 -1.11 -1.41 114.38 116.17 1n5s h ARG 73 Ca -0.04 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.84 1n5s h ARG 73 Cb 1.06 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1n5s h ARG 73 CO 0.08 0.65 -1.49 0.28 -1.51 0.00 0.00 179.97 177.97 1n5s n VAL 74 N -4.65 1.43 -0.33 0.20 0.31 -0.25 -2.54 118.33 112.49 1n5s n VAL 74 Ca -0.06 -0.04 0.08 0.00 -0.01 0.00 0.00 64.34 64.31 1n5s n VAL 74 Cb 0.31 -2.10 0.28 0.00 -0.91 0.00 0.00 33.84 31.42 1n5s n VAL 74 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1n5s h ASN 75 N -0.90 0.85 0.00 4.52 -0.26 -1.46 0.28 115.58 118.62 1n5s h ASN 75 Ca -0.25 0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.43 1n5s h ASN 75 Cb 1.16 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.27 1n5s h ASN 75 CO -0.15 0.45 -0.87 0.33 -1.06 0.00 0.00 177.43 176.13 1n5s n PHE 76 N -4.60 0.92 0.18 1.19 7.35 -0.53 -4.32 117.46 117.64 1n5s n PHE 76 Ca 0.18 0.40 0.03 0.00 -0.76 0.00 0.00 57.45 57.30 1n5s n PHE 76 Cb 0.38 -0.90 0.33 0.00 0.35 0.00 0.00 39.48 39.64 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 -1.00 0.00 1.56 7.13 0.00 -0.94 -2.40 103.07 107.42 1n5s h GLY 77 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1n5s h GLY 77 CO -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.04 1n5s h ALA 78 N 1.58 0.78 -2.52 3.60 0.00 -0.31 -3.45 119.26 118.93 1n5s h ALA 78 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1n5s h ALA 78 Cb 0.83 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.65 1n5s h ALA 78 CO 0.06 0.00 0.80 0.34 0.00 0.00 0.00 179.25 180.45 1n5s s ASP 79 N -5.47 6.76 0.53 0.00 -1.08 -0.90 -4.92 116.67 111.58 1n5s s ASP 79 Ca 0.05 2.37 0.26 0.00 -0.52 0.00 0.00 52.55 54.70 1n5s s ASP 79 Cb 0.08 -2.58 1.41 0.00 -1.46 0.00 0.00 42.92 40.37 1n5s s ASP 79 CO 0.71 -0.72 1.99 -0.65 0.52 0.00 0.00 175.17 177.02 1n5s h PRO 80 N 7.14 0.00 0.00 4.34 0.11 -1.87 -0.68 132.00 141.04 1n5s h PRO 80 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1n5s h PRO 80 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n5s h PRO 80 CO 0.89 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1n5s h ARG 81 N 0.00 0.00 0.06 1.05 3.08 -1.91 0.78 114.38 117.44 1n5s h ARG 81 Ca 0.26 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.06 1n5s h ARG 81 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1n5s h ARG 81 CO -0.00 0.00 -1.08 0.66 -1.07 0.00 0.00 179.97 178.48 1n5s h SER 82 N 0.00 0.39 -0.40 7.04 4.64 -1.35 -1.28 113.55 122.59 1n5s h SER 82 Ca -0.00 -0.37 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 1n5s h SER 82 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1n5s h SER 82 CO 0.00 1.23 -0.18 0.00 -0.87 0.00 0.00 176.83 177.01 1n5s h ALA 83 N 0.73 0.56 -0.24 5.18 0.00 -0.99 -0.71 119.26 123.79 1n5s h ALA 83 Ca -0.09 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1n5s h ALA 83 Cb 1.77 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 1n5s h ALA 83 CO 0.18 0.50 -0.19 0.93 0.00 0.00 0.00 179.25 180.67 1n5s h GLU 84 N 0.64 -0.18 -0.66 0.00 5.08 -1.18 -1.93 114.58 116.35 1n5s h GLU 84 Ca 0.09 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1n5s h GLU 84 Cb 0.73 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1n5s h GLU 84 CO 0.06 -0.12 0.41 1.25 -1.00 0.00 0.00 179.01 179.60 1n5s h LEU 85 N -0.19 0.67 -0.21 1.33 5.85 -1.07 -2.17 115.31 119.52 1n5s h LEU 85 Ca 0.14 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1n5s h LEU 85 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1n5s h LEU 85 CO -0.36 0.46 0.12 0.03 -0.34 0.00 0.00 178.44 178.36 1n5s h ARG 86 N 0.80 0.25 -0.70 1.25 3.08 -0.67 -1.72 114.38 116.67 1n5s h ARG 86 Ca 0.27 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1n5s h ARG 86 Cb 0.03 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1n5s h ARG 86 CO -0.11 0.16 0.43 1.49 -1.07 0.00 0.00 179.97 180.87 1n5s h GLU 87 N 0.25 0.80 -0.15 0.04 4.57 -1.26 -0.52 114.58 118.31 1n5s h GLU 87 Ca 0.08 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1n5s h GLU 87 Cb -0.01 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 1n5s h GLU 87 CO -0.04 0.53 -0.10 0.00 -1.18 0.00 0.00 179.01 178.22 1n5s h ALA 88 N 1.31 0.02 -0.67 2.92 0.00 -0.98 -1.25 119.26 120.62 1n5s h ALA 88 Ca 0.29 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1n5s h ALA 88 Cb 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1n5s h ALA 88 CO -0.13 -0.54 0.25 -0.07 0.00 0.00 0.00 179.25 178.76 1n5s h LEU 89 N -0.10 0.95 -1.50 0.00 3.38 -1.03 -3.04 115.31 113.97 1n5s h LEU 89 Ca 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1n5s h LEU 89 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1n5s h LEU 89 CO -0.22 0.88 -0.18 0.77 0.09 0.00 0.00 178.44 179.78 1n5s h SER 90 N 0.96 0.00 0.22 -0.43 4.64 -0.55 -2.94 113.55 115.45 1n5s h SER 90 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1n5s h SER 90 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1n5s h SER 90 CO -0.01 0.18 -0.24 -1.20 -0.87 0.00 0.00 176.83 174.69 1n5s n SER 91 N -3.51 1.05 -4.72 4.97 7.64 -0.52 -4.90 113.62 113.63 1n5s n SER 91 Ca -0.01 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.52 1n5s n SER 91 Cb 0.34 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1n5s n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1n5s s LEU 92 N -2.46 4.38 0.50 -3.43 2.96 -1.11 -4.99 118.68 114.52 1n5s s LEU 92 Ca 0.25 2.24 -0.21 0.00 -0.22 0.00 0.00 54.13 56.19 1n5s s LEU 92 Cb 0.19 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1n5s s LEU 92 CO 0.51 -0.57 1.17 -2.16 -1.32 0.00 0.00 176.35 173.98 1n5s s PRO 93 N 0.89 3.51 0.00 0.98 0.04 -1.26 -3.16 135.00 136.00 1n5s s PRO 93 Ca 0.61 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1n5s s PRO 93 Cb -0.34 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1n5s s PRO 93 CO 0.31 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1n5s n GLY 94 N 0.38 1.31 3.72 0.56 0.00 -1.26 -4.95 105.19 104.95 1n5s n GLY 94 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1n5s n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5s s LEU 95 N 0.00 4.40 0.00 0.99 1.43 -1.19 0.60 118.68 124.91 1n5s s LEU 95 Ca 0.00 1.97 0.25 0.00 -1.03 0.00 0.00 54.13 55.32 1n5s s LEU 95 Cb 0.00 -3.58 0.41 0.00 0.03 0.00 0.00 46.19 43.05 1n5s s LEU 95 CO 0.00 -0.37 1.39 0.23 0.23 0.00 0.00 176.35 177.83 1n5s n MET 96 N 3.53 2.20 -3.54 1.70 2.81 0.33 -4.88 117.12 119.26 1n5s n MET 96 Ca 0.07 -1.75 0.00 0.00 -1.81 0.00 0.00 57.70 54.21 1n5s n MET 96 Cb 0.47 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1n5s n MET 96 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n5s n GLY 97 N 1.33 -2.09 3.78 3.03 0.00 -1.25 -5.00 105.19 104.98 1n5s n GLY 97 Ca 0.16 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1n5s n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n5s s PRO 98 N -1.98 4.05 0.54 1.61 0.04 -1.26 -4.61 135.00 133.39 1n5s s PRO 98 Ca 0.00 1.57 -0.22 0.00 0.04 0.00 0.00 61.00 62.39 1n5s s PRO 98 Cb 0.00 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1n5s s PRO 98 CO 0.00 -0.26 1.37 -0.35 0.04 0.00 0.00 177.00 177.80 1n5s n PRO 99 N -0.21 1.75 -4.44 0.56 -0.04 -1.26 -4.68 135.00 126.67 1n5s n PRO 99 Ca 0.06 0.64 -0.33 0.00 -0.04 0.00 0.00 63.50 63.83 1n5s n PRO 99 Cb 0.49 -2.59 -0.15 0.00 -0.04 0.00 0.00 33.50 31.21 1n5s n PRO 99 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n5s s LYS 100 N -2.86 3.21 -0.05 0.54 3.01 -0.28 -4.95 119.74 118.37 1n5s s LYS 100 Ca 0.71 -0.75 0.01 0.00 -1.01 0.00 0.00 55.97 54.93 1n5s s LYS 100 Cb -0.42 -2.65 -0.03 0.00 -1.01 0.00 0.00 37.83 33.72 1n5s s LYS 100 CO 0.50 -0.02 -0.07 0.00 0.51 0.00 0.00 175.35 176.27 1n5s s ALA 101 N 0.91 2.97 -0.13 5.17 0.00 -1.26 -0.15 121.76 129.26 1n5s s ALA 101 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1n5s s ALA 101 Cb -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1n5s s ALA 101 CO -0.02 0.58 -0.20 0.08 0.00 0.00 0.00 175.76 176.21 1n5s s VAL 102 N -0.84 2.33 -0.05 0.00 1.01 -0.40 -4.99 120.40 117.46 1n5s s VAL 102 Ca 0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1n5s s VAL 102 Cb -0.11 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1n5s s VAL 102 CO 0.03 0.54 0.04 -0.36 0.00 0.00 0.00 175.10 175.35 1n5s s PHE 103 N 0.66 3.24 0.20 5.22 0.08 -1.26 -1.39 117.98 124.73 1n5s s PHE 103 Ca -0.10 0.22 -0.20 0.00 0.12 0.00 0.00 56.93 56.98 1n5s s PHE 103 Cb -0.16 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1n5s s PHE 103 CO 0.02 0.53 0.58 0.00 -0.10 0.00 0.00 175.22 176.25 1n5s s MET 104 N -1.26 1.44 -0.09 0.44 0.23 -0.26 -5.02 119.30 114.78 1n5s s MET 104 Ca 0.17 -0.79 0.04 0.00 -1.03 0.00 0.00 55.69 54.09 1n5s s MET 104 Cb -0.12 0.56 -0.01 0.00 -1.53 0.00 0.00 34.83 33.73 1n5s s MET 104 CO 0.07 -0.63 -0.23 0.95 -2.03 0.00 0.00 175.02 173.16 1n5s s THR 105 N -3.85 2.18 0.26 3.16 -4.23 -1.26 -0.70 115.64 111.20 1n5s s THR 105 Ca 0.07 -0.99 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 1n5s s THR 105 Cb -0.02 -1.82 -0.12 0.00 1.34 0.00 0.00 72.50 71.87 1n5s s THR 105 CO -0.03 0.56 1.58 -2.65 -0.54 0.00 0.00 174.62 173.53 1n5s n PRO 106 N 3.27 2.55 0.00 3.99 -0.02 -1.26 -4.89 135.00 138.63 1n5s n PRO 106 Ca -0.18 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1n5s n PRO 106 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1n5s n PRO 106 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n5s n ARG 107 N 2.49 3.31 -3.65 -0.52 5.12 -1.26 -5.07 116.66 117.09 1n5s n ARG 107 Ca 0.11 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.01 1n5s n ARG 107 Cb 0.35 -0.57 -0.03 0.00 -1.16 0.00 0.00 32.46 31.05 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 -0.95 0.00 -0.01 -0.13 0.00 -1.26 -5.17 107.32 99.80 1n5s s GLY 108 Ca 0.00 2.54 -0.05 0.00 0.00 0.00 0.00 44.72 47.21 1n5s s GLY 108 CO 0.00 0.94 0.10 0.00 0.00 0.00 0.00 173.10 174.15 1n5s s ALA 109 N -1.38 -0.24 -0.24 3.20 0.00 -1.26 -5.10 121.76 116.73 1n5s s ALA 109 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1n5s s ALA 109 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1n5s s ALA 109 CO -0.06 -0.14 -0.02 0.42 0.00 0.00 0.00 175.76 175.96 1n5s s ILE 110 N -0.84 3.43 0.12 0.00 -1.09 -1.26 -5.10 121.20 116.46 1n5s s ILE 110 Ca -0.09 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1n5s s ILE 110 Cb -0.05 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1n5s s ILE 110 CO 0.01 0.30 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.13 1n5s s LEU 111 N 1.46 2.42 0.54 2.97 1.43 -1.26 -5.14 118.68 121.10 1n5s s LEU 111 Ca 0.04 -0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 52.10 1n5s s LEU 111 Cb -0.15 -0.45 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1n5s s LEU 111 CO -0.02 -0.20 1.15 -2.16 0.23 0.00 0.00 176.35 175.34 1n5s s PRO 112 N -2.86 3.33 0.00 1.29 0.04 -1.26 -5.30 135.00 130.25 1n5s s PRO 112 Ca 0.09 1.68 0.31 0.00 0.04 0.00 0.00 61.00 63.12 1n5s s PRO 112 Cb -0.03 -2.04 1.79 0.00 0.04 0.00 0.00 34.50 34.25 1n5s s PRO 112 CO 0.02 -0.88 2.16 0.43 0.04 0.00 0.00 177.00 178.77