#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5t n GLU 3 N 0.00 0.73 0.31 0.00 -0.58 -1.26 -4.80 120.64 115.04 1n5t n GLU 3 Ca 0.00 0.26 0.20 0.00 -0.42 0.00 0.00 57.16 57.21 1n5t n GLU 3 Cb 0.00 -1.60 0.98 0.00 -0.57 0.00 0.00 31.44 30.25 1n5t n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1n5t h VAL 4 N 1.02 0.00 -0.37 2.62 -1.51 -2.05 -2.44 116.25 113.52 1n5t h VAL 4 Ca -0.40 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1n5t h VAL 4 Cb 1.39 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1n5t h VAL 4 CO 0.53 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.41 1n5t n ASN 5 N -3.09 3.00 -4.70 4.19 6.94 -1.26 -5.00 115.26 115.34 1n5t n ASN 5 Ca -0.01 -1.99 -0.43 0.00 -0.02 0.00 0.00 54.58 52.12 1n5t n ASN 5 Cb 0.18 -0.25 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1n5t n ASN 5 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1n5t n ASP 6 N 0.62 3.71 0.32 0.53 -0.08 -0.92 -4.86 116.55 115.87 1n5t n ASP 6 Ca 0.13 1.06 0.22 0.00 -1.51 0.00 0.00 54.79 54.68 1n5t n ASP 6 Cb 0.44 -1.52 1.13 0.00 2.34 0.00 0.00 41.12 43.51 1n5t n ASP 6 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1n5t h PRO 7 N 6.76 0.00 0.00 -0.67 0.11 -1.94 0.46 132.00 136.72 1n5t h PRO 7 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n5t h PRO 7 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1n5t h PRO 7 CO 0.93 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.71 1n5t h ARG 8 N 0.00 0.00 -6.41 1.05 3.08 -1.94 -3.40 114.38 106.76 1n5t h ARG 8 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1n5t h ARG 8 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1n5t h ARG 8 CO 0.00 0.02 1.09 0.08 -1.07 0.00 0.00 179.97 180.09 1n5t s VAL 9 N -3.94 3.80 -0.58 2.04 1.01 0.15 -4.30 120.40 118.57 1n5t s VAL 9 Ca -0.02 0.66 0.19 0.00 0.00 0.00 0.00 61.98 62.81 1n5t s VAL 9 Cb 0.11 -4.52 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 1n5t s VAL 9 CO 0.50 -1.26 0.66 0.61 0.00 0.00 0.00 175.10 175.60 1n5t n GLY 10 N 5.26 -0.78 3.53 4.51 0.00 -0.73 -4.69 105.19 112.29 1n5t n GLY 10 Ca 0.11 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1n5t n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5t s PHE 11 N -2.93 -0.80 -0.01 1.61 5.36 -0.52 -4.63 117.98 116.06 1n5t s PHE 11 Ca 0.02 1.77 0.03 0.00 -0.96 0.00 0.00 56.93 57.80 1n5t s PHE 11 Cb 0.13 0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 43.17 1n5t s PHE 11 CO 0.77 -0.40 -0.10 0.08 -1.46 0.00 0.00 175.22 174.11 1n5t s VAL 12 N 0.89 0.80 -0.11 3.12 1.01 0.56 -0.60 120.40 126.07 1n5t s VAL 12 Ca -0.04 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1n5t s VAL 12 Cb -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1n5t s VAL 12 CO -0.08 0.23 -0.20 0.00 0.00 0.00 0.00 175.10 175.05 1n5t s ALA 13 N -0.23 1.96 -0.27 5.51 0.00 -0.88 -1.09 121.76 126.76 1n5t s ALA 13 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1n5t s ALA 13 Cb -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.29 1n5t s ALA 13 CO -0.00 0.11 -0.04 0.08 0.00 0.00 0.00 175.76 175.90 1n5t s VAL 14 N 0.64 2.82 -0.20 0.00 1.01 -0.49 -0.79 120.40 123.39 1n5t s VAL 14 Ca -0.13 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1n5t s VAL 14 Cb -0.16 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1n5t s VAL 14 CO 0.03 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.35 1n5t s VAL 15 N 1.26 2.72 -0.20 2.92 1.01 0.32 -0.68 120.40 127.75 1n5t s VAL 15 Ca -0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1n5t s VAL 15 Cb -0.18 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1n5t s VAL 15 CO -0.03 0.48 0.01 -0.89 0.00 0.00 0.00 175.10 174.67 1n5t s THR 16 N 1.39 4.09 -0.28 3.92 2.01 0.51 0.30 115.64 127.57 1n5t s THR 16 Ca 0.05 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 1n5t s THR 16 Cb -0.14 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1n5t s THR 16 CO -0.08 0.43 0.06 -0.36 -0.69 0.00 0.00 174.62 173.98 1n5t s PHE 17 N 0.95 3.13 -0.11 4.92 0.40 0.39 -1.04 117.98 126.62 1n5t s PHE 17 Ca 0.02 -0.98 -0.30 0.00 -0.60 0.00 0.00 56.93 55.08 1n5t s PHE 17 Cb -0.14 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 1n5t s PHE 17 CO 0.02 -0.57 1.05 -1.25 0.70 0.00 0.00 175.22 175.17 1n5t s PRO 18 N 1.49 4.39 0.32 0.24 0.04 -1.26 -1.00 135.00 139.22 1n5t s PRO 18 Ca 0.03 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.55 1n5t s PRO 18 Cb -0.17 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 1n5t s PRO 18 CO 0.02 -0.38 0.07 0.14 0.04 0.00 0.00 177.00 176.88 1n5t s VAL 19 N 2.21 1.07 -2.46 -0.36 -7.23 0.13 -0.75 120.40 113.01 1n5t s VAL 19 Ca 0.49 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.91 1n5t s VAL 19 Cb -0.19 -2.74 0.47 0.00 0.56 0.00 0.00 36.38 34.47 1n5t s VAL 19 CO 0.17 0.00 1.59 -0.90 -0.31 0.00 0.00 175.10 175.65 1n5t n ASP 20 N -0.70 1.87 0.00 4.85 5.75 -0.19 -4.61 116.55 123.52 1n5t n ASP 20 Ca -0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1n5t n ASP 20 Cb 0.66 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1n5t n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n5t n GLY 21 N 1.20 -1.97 0.23 6.12 0.00 -1.21 -4.99 105.19 104.57 1n5t n GLY 21 Ca 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1n5t n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n5t h PRO 22 N 1.17 0.28 -0.73 1.61 0.11 -1.93 -0.82 132.00 131.70 1n5t h PRO 22 Ca 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1n5t h PRO 22 Cb 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 1n5t h PRO 22 CO 0.00 0.50 0.41 0.00 -0.21 0.00 0.00 178.00 178.69 1n5t h ALA 23 N 1.52 0.93 -0.32 -0.75 0.00 -1.94 -0.00 119.26 118.69 1n5t h ALA 23 Ca 0.04 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1n5t h ALA 23 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n5t h ALA 23 CO 0.04 0.43 -0.42 1.15 0.00 0.00 0.00 179.25 180.45 1n5t h THR 24 N 1.00 1.28 -0.52 0.00 2.02 -1.84 -1.47 112.91 113.38 1n5t h THR 24 Ca 0.26 -1.60 0.10 0.00 0.77 0.00 0.00 66.41 65.94 1n5t h THR 24 Cb 0.02 1.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 1n5t h THR 24 CO -0.04 0.52 0.04 1.56 0.37 0.00 0.00 175.52 177.97 1n5t h GLN 25 N 0.66 0.15 -0.32 6.66 4.20 -0.81 0.59 115.11 126.24 1n5t h GLN 25 Ca 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1n5t h GLN 25 Cb 0.99 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1n5t h GLN 25 CO 0.09 0.10 0.21 1.25 -0.67 0.00 0.00 178.83 179.82 1n5t h HIS 26 N 0.16 0.41 -0.23 2.96 2.76 -0.63 -2.20 115.15 118.38 1n5t h HIS 26 Ca 0.27 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.39 1n5t h HIS 26 Cb 0.40 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1n5t h HIS 26 CO -0.29 0.26 -0.08 0.87 -1.30 0.00 0.00 177.93 177.38 1n5t h LYS 27 N 0.44 0.36 -0.15 5.26 1.57 -0.79 -0.30 116.57 122.96 1n5t h LYS 27 Ca 0.12 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1n5t h LYS 27 Cb -0.05 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1n5t h LYS 27 CO -0.03 0.46 -0.50 1.25 -0.57 0.00 0.00 179.45 180.06 1n5t h LEU 28 N 0.35 0.70 -0.50 2.94 5.85 -0.66 0.52 115.31 124.50 1n5t h LEU 28 Ca 0.07 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1n5t h LEU 28 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1n5t h LEU 28 CO 0.02 1.18 0.28 0.58 -0.34 0.00 0.00 178.44 180.16 1n5t h VAL 29 N 0.25 1.17 -0.92 1.05 2.07 -1.29 0.05 116.25 118.63 1n5t h VAL 29 Ca -0.02 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1n5t h VAL 29 Cb 1.13 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1n5t h VAL 29 CO 0.11 0.18 0.61 -0.08 0.02 0.00 0.00 177.57 178.41 1n5t h GLU 30 N 0.67 1.20 -0.02 1.57 4.81 -0.88 -1.20 114.58 120.73 1n5t h GLU 30 Ca 0.18 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1n5t h GLU 30 Cb 0.04 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1n5t h GLU 30 CO -0.03 0.79 0.01 1.25 -0.73 0.00 0.00 179.01 180.31 1n5t h LEU 31 N 1.24 0.03 -1.62 1.64 5.85 -0.57 -1.13 115.31 120.75 1n5t h LEU 31 Ca 0.34 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1n5t h LEU 31 Cb -0.13 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1n5t h LEU 31 CO -0.08 0.18 0.22 0.00 -0.34 0.00 0.00 178.44 178.43 1n5t h ALA 32 N 0.85 1.72 -0.34 1.25 0.00 -0.41 -2.22 119.26 120.11 1n5t h ALA 32 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n5t h ALA 32 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n5t h ALA 32 CO -0.00 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.75 1n5t n THR 33 N -4.47 2.32 1.22 0.00 -2.24 -0.51 -4.47 114.28 106.14 1n5t n THR 33 Ca 0.02 -1.73 0.11 0.00 -2.27 0.00 0.00 64.05 60.19 1n5t n THR 33 Cb 0.07 -0.22 0.39 0.00 -2.10 0.00 0.00 70.33 68.48 1n5t n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5t n GLY 34 N -0.18 0.33 0.00 3.38 0.00 -0.43 -4.89 105.19 103.39 1n5t n GLY 34 Ca 0.22 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1n5t n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5t n GLY 35 N 1.17 1.82 0.21 -0.02 0.00 -1.26 -4.98 105.19 102.12 1n5t n GLY 35 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1n5t n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1n5t h VAL 36 N 0.00 1.11 -0.52 1.61 3.04 -1.83 -2.21 116.25 117.45 1n5t h VAL 36 Ca 0.00 -0.86 -0.36 0.00 -1.01 0.00 0.00 66.70 64.46 1n5t h VAL 36 Cb 0.00 1.47 -0.25 0.00 -2.01 0.00 0.00 31.29 30.50 1n5t h VAL 36 CO 0.00 0.24 -0.45 0.00 -1.01 0.00 0.00 177.57 176.35 1n5t n GLN 37 N -4.15 2.71 -0.35 4.17 10.64 -1.26 -4.66 117.38 124.48 1n5t n GLN 37 Ca -0.02 -3.70 0.08 0.00 -1.83 0.00 0.00 57.00 51.52 1n5t n GLN 37 Cb 0.31 -2.04 0.24 0.00 -0.86 0.00 0.00 30.24 27.90 1n5t n GLN 37 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1n5t h GLU 38 N 1.66 0.91 -0.22 2.61 4.57 -1.76 -1.44 114.58 120.91 1n5t h GLU 38 Ca 0.28 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1n5t h GLU 38 Cb 1.37 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1n5t h GLU 38 CO 0.58 0.60 0.15 0.11 -1.18 0.00 0.00 179.01 179.27 1n5t h TRP 39 N 0.94 0.18 -0.10 0.92 5.08 -1.83 -2.49 115.95 118.64 1n5t h TRP 39 Ca 0.50 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.44 1n5t h TRP 39 Cb 0.54 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 1n5t h TRP 39 CO -0.01 0.10 -0.11 0.97 -1.28 0.00 0.00 178.44 178.11 1n5t h ILE 40 N 0.18 1.14 -0.76 0.12 2.10 -1.62 -3.15 117.51 115.53 1n5t h ILE 40 Ca 0.09 -0.63 0.13 0.00 1.08 0.00 0.00 64.86 65.53 1n5t h ILE 40 Cb 0.14 1.20 -0.05 0.00 -1.09 0.00 0.00 36.82 37.01 1n5t h ILE 40 CO -0.02 0.19 0.50 0.03 -1.08 0.00 0.00 178.15 177.78 1n5t h ARG 41 N 0.15 0.51 -0.00 2.19 3.08 -1.56 -1.88 114.38 116.87 1n5t h ARG 41 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n5t h ARG 41 Cb 0.30 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1n5t h ARG 41 CO 0.02 0.34 -0.28 0.39 -1.07 0.00 0.00 179.97 179.37 1n5t n GLU 42 N -4.50 0.29 -2.14 0.04 -0.58 -1.19 -4.93 120.64 107.64 1n5t n GLU 42 Ca 0.14 -0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 1n5t n GLU 42 Cb 0.45 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1n5t n GLU 42 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1n5t s VAL 43 N -2.80 3.10 0.23 2.62 1.01 -0.71 -4.93 120.40 118.92 1n5t s VAL 43 Ca 0.18 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.69 1n5t s VAL 43 Cb 0.19 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.91 1n5t s VAL 43 CO 0.59 0.10 1.66 -2.84 0.00 0.00 0.00 175.10 174.60 1n5t s PRO 44 N 0.47 4.14 0.00 2.72 0.02 -1.26 -2.13 135.00 138.96 1n5t s PRO 44 Ca 0.62 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1n5t s PRO 44 Cb -0.38 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1n5t s PRO 44 CO 0.35 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1n5t n GLY 45 N 3.41 1.64 3.67 0.52 0.00 -1.26 -4.84 105.19 108.32 1n5t n GLY 45 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1n5t n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5t s PHE 46 N -2.33 2.87 -0.25 1.61 5.36 -0.90 0.11 117.98 124.45 1n5t s PHE 46 Ca 0.00 0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 56.87 1n5t s PHE 46 Cb 0.00 -3.54 -0.13 0.00 -0.34 0.00 0.00 43.02 39.02 1n5t s PHE 46 CO 0.00 -1.88 -0.28 1.28 -1.46 0.00 0.00 175.22 172.88 1n5t n LEU 47 N 6.11 2.23 -3.57 6.12 4.77 -0.43 -4.91 117.00 127.32 1n5t n LEU 47 Ca 0.13 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1n5t n LEU 47 Cb 0.45 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1n5t n LEU 47 CO 0.57 0.66 0.90 -0.94 -1.33 0.00 0.00 177.39 177.25 1n5t s SER 48 N -6.88 -0.21 -0.15 -1.43 1.04 -1.00 -4.21 113.70 100.85 1n5t s SER 48 Ca -0.34 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 1n5t s SER 48 Cb 0.11 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1n5t s SER 48 CO 0.48 -0.35 0.05 0.00 0.98 0.00 0.00 173.24 174.40 1n5t s ALA 49 N -2.60 0.65 -0.25 5.32 0.00 -1.26 -1.38 121.76 122.24 1n5t s ALA 49 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 1n5t s ALA 49 Cb -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1n5t s ALA 49 CO -0.06 -0.97 0.04 0.99 0.00 0.00 0.00 175.76 175.76 1n5t s THR 50 N 2.02 3.98 -0.17 0.00 2.01 -0.38 -4.97 115.64 118.13 1n5t s THR 50 Ca 0.02 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.57 1n5t s THR 50 Cb -0.15 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1n5t s THR 50 CO -0.07 0.33 0.22 -0.31 -0.69 0.00 0.00 174.62 174.10 1n5t s TYR 51 N 1.56 3.45 0.15 4.92 1.51 -1.26 -1.77 117.35 125.91 1n5t s TYR 51 Ca 0.06 0.49 0.11 0.00 -1.01 0.00 0.00 57.07 56.72 1n5t s TYR 51 Cb -0.15 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1n5t s TYR 51 CO 0.01 0.30 -0.26 -1.01 -1.11 0.00 0.00 175.55 173.48 1n5t s HIS 52 N 0.30 2.29 -0.28 2.71 3.76 0.61 -4.96 115.29 119.73 1n5t s HIS 52 Ca 0.13 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.53 1n5t s HIS 52 Cb -0.12 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 1n5t s HIS 52 CO 0.02 0.38 0.32 0.00 -0.85 0.00 0.00 174.74 174.61 1n5t s ALA 53 N -1.23 3.55 0.57 -1.40 0.00 -1.26 -0.99 121.76 121.00 1n5t s ALA 53 Ca 0.16 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1n5t s ALA 53 Cb -0.09 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1n5t s ALA 53 CO 0.07 -0.65 1.33 -1.54 0.00 0.00 0.00 175.76 174.97 1n5t s SER 54 N 1.68 5.12 0.47 0.00 1.04 -0.49 -4.86 113.70 116.66 1n5t s SER 54 Ca 0.13 2.70 0.26 0.00 0.48 0.00 0.00 55.95 59.52 1n5t s SER 54 Cb -0.16 -2.63 1.06 0.00 0.10 0.00 0.00 66.02 64.39 1n5t s SER 54 CO 0.10 -1.66 1.88 0.71 0.98 0.00 0.00 173.24 175.25 1n5t h THR 55 N 1.21 0.47 -0.00 2.02 1.35 -1.97 -2.35 112.91 113.63 1n5t h THR 55 Ca -0.51 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1n5t h THR 55 Cb 1.31 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1n5t h THR 55 CO 0.56 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 1n5t n ASP 56 N -3.37 0.20 0.00 5.36 5.68 -1.26 -4.90 116.55 118.26 1n5t n ASP 56 Ca -0.00 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 1n5t n ASP 56 Cb 0.39 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1n5t n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5t n GLY 57 N 1.01 0.89 0.42 6.12 0.00 -0.88 -4.89 105.19 107.85 1n5t n GLY 57 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1n5t n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n5t n THR 58 N -2.16 0.00 -3.65 2.61 -2.24 -1.26 -3.30 114.28 104.27 1n5t n THR 58 Ca 0.00 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1n5t n THR 58 Cb 0.00 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 1n5t n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5t s ALA 59 N -2.53 -0.88 -0.11 6.98 0.00 -1.26 -0.69 121.76 123.26 1n5t s ALA 59 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1n5t s ALA 59 Cb 0.18 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 1n5t s ALA 59 CO 0.59 -0.64 -0.21 0.08 0.00 0.00 0.00 175.76 175.58 1n5t s VAL 60 N -3.81 2.28 -0.07 0.00 1.01 -0.17 -1.40 120.40 118.24 1n5t s VAL 60 Ca 0.03 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1n5t s VAL 60 Cb 0.02 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1n5t s VAL 60 CO -0.12 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.61 1n5t s VAL 61 N 0.38 2.23 -0.21 2.92 1.01 -0.16 -0.46 120.40 126.10 1n5t s VAL 61 Ca -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 1n5t s VAL 61 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1n5t s VAL 61 CO 0.07 0.57 -0.01 0.21 0.00 0.00 0.00 175.10 175.94 1n5t s ASN 62 N -0.12 4.60 -0.46 3.32 2.47 0.15 -0.28 114.94 124.61 1n5t s ASN 62 Ca -0.04 -0.30 -0.16 0.00 0.42 0.00 0.00 52.86 52.79 1n5t s ASN 62 Cb -0.14 -1.79 0.06 0.00 -1.45 0.00 0.00 41.25 37.93 1n5t s ASN 62 CO 0.04 0.01 0.38 -0.47 -3.72 0.00 0.00 177.10 173.35 1n5t s TYR 63 N 1.30 3.24 -0.13 0.43 5.04 -0.73 -0.52 117.35 125.97 1n5t s TYR 63 Ca 0.04 -0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 53.83 1n5t s TYR 63 Cb -0.15 -3.06 -0.02 0.00 0.35 0.00 0.00 41.96 39.09 1n5t s TYR 63 CO -0.00 -0.76 -0.12 0.00 -1.34 0.00 0.00 175.55 173.33 1n5t s ALA 64 N 1.69 2.68 -0.13 3.97 0.00 0.03 -1.25 121.76 128.74 1n5t s ALA 64 Ca 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1n5t s ALA 64 Cb -0.23 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1n5t s ALA 64 CO 0.08 0.27 -0.00 -0.65 0.00 0.00 0.00 175.76 175.45 1n5t s GLN 65 N 0.28 3.39 0.03 0.00 -0.21 -0.48 -2.06 119.66 120.61 1n5t s GLN 65 Ca -0.09 -0.44 0.02 0.00 0.02 0.00 0.00 55.36 54.87 1n5t s GLN 65 Cb -0.15 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 30.94 1n5t s GLN 65 CO 0.05 0.47 -0.06 -1.58 -2.12 0.00 0.00 175.29 172.04 1n5t s TRP 66 N -0.23 0.54 0.35 0.91 0.52 0.23 -1.31 118.94 119.94 1n5t s TRP 66 Ca 0.05 -0.45 0.16 0.00 0.02 0.00 0.00 56.10 55.88 1n5t s TRP 66 Cb -0.12 -0.33 0.82 0.00 -1.15 0.00 0.00 33.47 32.68 1n5t s TRP 66 CO 0.02 -0.10 1.85 0.93 0.02 0.00 0.00 176.95 179.67 1n5t h GLU 67 N 4.72 0.00 -2.49 4.98 5.08 -0.52 -1.18 114.58 125.19 1n5t h GLU 67 Ca -0.34 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1n5t h GLU 67 Cb 1.20 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 1n5t h GLU 67 CO 0.42 0.34 0.42 -1.54 -1.00 0.00 0.00 179.01 177.65 1n5t s SER 68 N -6.74 -0.32 0.20 1.42 1.04 -1.26 -2.35 113.70 105.70 1n5t s SER 68 Ca -0.02 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 1n5t s SER 68 Cb 0.14 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.89 1n5t s SER 68 CO 0.70 -0.85 1.78 -0.08 0.98 0.00 0.00 173.24 175.77 1n5t h GLU 69 N 2.00 1.11 -0.43 4.02 4.81 -1.89 -2.25 114.58 121.94 1n5t h GLU 69 Ca -0.24 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1n5t h GLU 69 Cb 1.25 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1n5t h GLU 69 CO 0.29 0.88 0.27 0.37 -0.73 0.00 0.00 179.01 180.09 1n5t h GLN 70 N 1.07 0.58 -0.51 1.92 4.15 -1.99 -0.47 115.11 119.86 1n5t h GLN 70 Ca 0.26 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 1n5t h GLN 70 Cb 0.16 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1n5t h GLN 70 CO -0.03 0.41 0.16 0.00 -1.93 0.00 0.00 178.83 177.44 1n5t h ALA 71 N 1.13 1.31 -0.09 3.38 0.00 -1.85 -0.41 119.26 122.73 1n5t h ALA 71 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n5t h ALA 71 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1n5t h ALA 71 CO -0.03 0.49 0.06 -0.92 0.00 0.00 0.00 179.25 178.85 1n5t h TYR 72 N 0.75 0.12 -0.48 0.00 3.20 -0.99 0.32 116.97 119.89 1n5t h TYR 72 Ca 0.17 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1n5t h TYR 72 Cb 0.22 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1n5t h TYR 72 CO 0.01 0.12 0.07 0.00 -1.64 0.00 0.00 178.16 176.72 1n5t h ARG 73 N 0.09 0.80 -0.03 1.82 3.08 -0.79 0.67 114.38 120.02 1n5t h ARG 73 Ca 0.03 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1n5t h ARG 73 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1n5t h ARG 73 CO -0.01 0.80 -0.25 0.28 -1.07 0.00 0.00 179.97 179.73 1n5t h VAL 74 N 0.66 1.48 0.00 2.04 2.07 -0.98 0.29 116.25 121.81 1n5t h VAL 74 Ca 0.14 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1n5t h VAL 74 Cb 0.40 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1n5t h VAL 74 CO 0.01 0.49 -0.80 0.78 0.02 0.00 0.00 177.57 178.08 1n5t h ASN 75 N -0.35 0.00 0.00 0.57 -0.26 -0.47 -3.34 115.58 111.74 1n5t h ASN 75 Ca -0.02 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1n5t h ASN 75 Cb 0.94 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.20 1n5t h ASN 75 CO 0.05 0.07 -0.02 0.33 -1.06 0.00 0.00 177.43 176.80 1n5t n PHE 76 N -2.35 0.00 -0.28 1.19 7.35 -0.52 -4.60 117.46 118.26 1n5t n PHE 76 Ca 0.02 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.74 1n5t n PHE 76 Cb 0.49 -0.01 0.17 0.00 0.35 0.00 0.00 39.48 40.48 1n5t n PHE 76 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1n5t h GLY 77 N -0.02 1.25 1.25 7.13 0.00 -0.82 -2.79 103.07 109.07 1n5t h GLY 77 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1n5t h GLY 77 CO 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 176.54 176.23 1n5t n ALA 78 N -2.40 3.22 -2.70 3.60 0.00 0.10 -4.73 120.51 117.61 1n5t n ALA 78 Ca 0.14 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1n5t n ALA 78 Cb 0.31 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1n5t n ALA 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n5t s ASP 79 N -3.06 7.17 0.63 0.00 3.68 -1.05 -4.92 116.67 119.11 1n5t s ASP 79 Ca 0.12 1.43 0.40 0.00 2.13 0.00 0.00 52.55 56.62 1n5t s ASP 79 Cb 0.18 -2.51 2.15 0.00 -1.45 0.00 0.00 42.92 41.29 1n5t s ASP 79 CO 0.66 -0.32 2.29 1.55 0.13 0.00 0.00 175.17 179.48 1n5t h PRO 80 N 7.00 0.00 0.00 4.34 0.13 -1.85 -1.86 132.00 139.77 1n5t h PRO 80 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1n5t h PRO 80 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1n5t h PRO 80 CO 0.80 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 179.12 1n5t n ARG 81 N -3.24 0.15 0.07 0.86 1.74 -1.26 -1.77 116.66 113.20 1n5t n ARG 81 Ca -0.02 0.50 -0.09 0.00 -0.77 0.00 0.00 57.85 57.46 1n5t n ARG 81 Cb 0.11 -1.85 0.03 0.00 -1.02 0.00 0.00 32.46 29.72 1n5t n ARG 81 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n5t h SER 82 N 0.00 0.40 0.58 0.55 4.64 -1.53 -0.80 113.55 117.38 1n5t h SER 82 Ca 0.00 -0.28 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1n5t h SER 82 Cb 0.19 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1n5t h SER 82 CO 0.00 1.02 -0.64 0.00 -0.87 0.00 0.00 176.83 176.34 1n5t h ALA 83 N 0.96 0.91 -0.18 5.18 0.00 -1.51 -0.66 119.26 123.97 1n5t h ALA 83 Ca -0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1n5t h ALA 83 Cb 1.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1n5t h ALA 83 CO 0.13 0.79 0.04 0.93 0.00 0.00 0.00 179.25 181.14 1n5t h GLU 84 N 0.04 0.28 -0.11 0.00 5.08 -1.25 -0.43 114.58 118.18 1n5t h GLU 84 Ca -0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1n5t h GLU 84 Cb 1.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1n5t h GLU 84 CO 0.09 0.42 -0.04 1.25 -1.00 0.00 0.00 179.01 179.73 1n5t h LEU 85 N 0.09 -0.13 -0.92 1.33 5.85 -0.91 -1.04 115.31 119.59 1n5t h LEU 85 Ca 0.06 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1n5t h LEU 85 Cb 0.26 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1n5t h LEU 85 CO 0.00 -0.05 0.56 -0.09 -0.34 0.00 0.00 178.44 178.52 1n5t h ARG 86 N -0.01 1.25 -0.28 1.25 2.43 -1.06 0.06 114.38 118.01 1n5t h ARG 86 Ca 0.06 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1n5t h ARG 86 Cb 0.10 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1n5t h ARG 86 CO -0.12 0.87 0.15 0.93 -1.51 0.00 0.00 179.97 180.29 1n5t h GLU 87 N 1.27 0.31 -0.10 0.20 5.08 -0.68 -0.05 114.58 120.60 1n5t h GLU 87 Ca 0.33 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1n5t h GLU 87 Cb -0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1n5t h GLU 87 CO -0.06 0.20 -0.03 0.00 -1.00 0.00 0.00 179.01 178.12 1n5t h ALA 88 N 1.14 0.06 0.00 3.43 0.00 -0.48 -2.06 119.26 121.35 1n5t h ALA 88 Ca 0.11 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1n5t h ALA 88 Cb 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n5t h ALA 88 CO -0.07 -0.49 -0.47 -0.07 0.00 0.00 0.00 179.25 178.15 1n5t h LEU 89 N -0.01 0.00 -0.20 0.00 3.38 -0.89 -2.65 115.31 114.94 1n5t h LEU 89 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n5t h LEU 89 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n5t h LEU 89 CO -0.11 0.47 -0.09 -1.54 0.09 0.00 0.00 178.44 177.27 1n5t n SER 90 N -3.72 0.40 0.13 -0.43 3.41 -0.04 -3.57 113.62 109.79 1n5t n SER 90 Ca -0.01 -0.55 0.13 0.00 -0.26 0.00 0.00 58.87 58.18 1n5t n SER 90 Cb 0.54 -0.10 0.34 0.00 -0.26 0.00 0.00 64.21 64.73 1n5t n SER 90 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n5t h SER 91 N 0.49 0.00 -3.13 4.04 4.64 -0.99 -3.46 113.55 115.13 1n5t h SER 91 Ca 0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 1n5t h SER 91 Cb 0.33 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1n5t h SER 91 CO 0.00 0.01 0.68 -0.22 -0.87 0.00 0.00 176.83 176.42 1n5t s LEU 92 N -4.86 4.38 0.29 5.97 2.96 -1.23 -4.99 118.68 121.20 1n5t s LEU 92 Ca 0.10 2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 56.00 1n5t s LEU 92 Cb 0.11 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 43.10 1n5t s LEU 92 CO 0.62 -0.59 1.56 -2.84 -1.32 0.00 0.00 176.35 173.79 1n5t s PRO 93 N 0.78 4.14 0.00 0.98 0.02 -1.26 -2.65 135.00 137.02 1n5t s PRO 93 Ca 0.62 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1n5t s PRO 93 Cb -0.35 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1n5t s PRO 93 CO 0.32 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1n5t n GLY 94 N 2.07 1.53 3.61 0.52 0.00 -1.26 -4.95 105.19 106.72 1n5t n GLY 94 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1n5t n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n5t s LEU 95 N 0.00 3.69 0.00 0.99 2.96 -1.08 -1.03 118.68 124.21 1n5t s LEU 95 Ca 0.00 0.96 0.26 0.00 -0.22 0.00 0.00 54.13 55.13 1n5t s LEU 95 Cb 0.00 -3.54 0.63 0.00 0.50 0.00 0.00 46.19 43.78 1n5t s LEU 95 CO 0.00 -1.31 1.49 0.23 -1.32 0.00 0.00 176.35 175.44 1n5t n MET 96 N 7.82 0.42 -3.84 1.98 2.81 0.07 -4.98 117.12 121.39 1n5t n MET 96 Ca 0.16 -0.24 -0.03 0.00 -1.81 0.00 0.00 57.70 55.77 1n5t n MET 96 Cb 0.47 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.50 1n5t n MET 96 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1n5t s GLY 97 N -2.75 0.02 0.49 3.03 0.00 -1.26 -5.04 107.32 101.81 1n5t s GLY 97 Ca 0.18 -0.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.49 1n5t s GLY 97 CO 0.61 1.65 1.02 2.56 0.00 0.00 0.00 173.10 178.94 1n5t s PRO 98 N -2.46 3.85 0.58 2.90 0.04 -1.26 -4.55 135.00 134.11 1n5t s PRO 98 Ca 0.19 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 1n5t s PRO 98 Cb -0.02 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1n5t s PRO 98 CO 0.04 -0.38 1.33 -2.30 0.04 0.00 0.00 177.00 175.74 1n5t n PRO 99 N -1.04 1.49 -4.63 0.56 -0.02 -1.26 -4.74 135.00 125.36 1n5t n PRO 99 Ca 0.09 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 1n5t n PRO 99 Cb 0.53 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 1n5t n PRO 99 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n5t s LYS 100 N -3.04 3.22 0.14 -0.52 1.02 -0.21 -4.94 119.74 115.42 1n5t s LYS 100 Ca 0.75 -0.60 0.11 0.00 0.02 0.00 0.00 55.97 56.25 1n5t s LYS 100 Cb -0.41 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1n5t s LYS 100 CO 0.46 0.39 -0.25 0.00 -0.92 0.00 0.00 175.35 175.03 1n5t s ALA 101 N -0.07 2.35 -0.08 5.17 0.00 -1.26 -0.36 121.76 127.50 1n5t s ALA 101 Ca -0.00 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1n5t s ALA 101 Cb -0.13 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1n5t s ALA 101 CO 0.03 0.48 -0.10 0.08 0.00 0.00 0.00 175.76 176.26 1n5t s VAL 102 N -1.25 1.07 -0.10 0.00 1.01 0.14 -4.98 120.40 116.28 1n5t s VAL 102 Ca 0.15 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1n5t s VAL 102 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1n5t s VAL 102 CO 0.07 0.35 0.08 -0.36 0.00 0.00 0.00 175.10 175.24 1n5t s PHE 103 N 1.09 3.41 0.26 5.22 0.08 -1.26 -1.39 117.98 125.38 1n5t s PHE 103 Ca -0.07 0.38 -0.21 0.00 0.12 0.00 0.00 56.93 57.15 1n5t s PHE 103 Cb -0.14 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1n5t s PHE 103 CO -0.01 0.62 0.68 0.00 -0.10 0.00 0.00 175.22 176.41 1n5t s MET 104 N -1.00 1.70 -0.05 0.44 0.23 -0.25 -5.02 119.30 115.35 1n5t s MET 104 Ca 0.15 -0.94 0.03 0.00 -1.03 0.00 0.00 55.69 53.90 1n5t s MET 104 Cb -0.12 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1n5t s MET 104 CO 0.04 -0.77 -0.15 0.99 -2.03 0.00 0.00 175.02 173.10 1n5t s THR 105 N -3.90 1.31 0.29 3.16 2.01 -1.26 -0.32 115.64 116.92 1n5t s THR 105 Ca 0.10 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1n5t s THR 105 Cb -0.05 -1.15 -0.10 0.00 0.01 0.00 0.00 72.50 71.21 1n5t s THR 105 CO 0.04 0.39 1.44 -2.84 -0.69 0.00 0.00 174.62 172.96 1n5t s PRO 106 N 0.26 4.24 0.00 4.92 0.02 -1.26 -4.93 135.00 138.26 1n5t s PRO 106 Ca -0.08 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1n5t s PRO 106 Cb -0.13 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1n5t s PRO 106 CO 0.03 -0.42 0.00 0.54 -0.33 0.00 0.00 177.00 176.82 1n5t n ARG 107 N 1.77 2.45 -3.51 5.54 5.12 -1.26 -5.07 116.66 121.70 1n5t n ARG 107 Ca 0.05 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 1n5t n ARG 107 Cb 0.40 -0.87 -0.03 0.00 -1.16 0.00 0.00 32.46 30.81 1n5t n ARG 107 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1n5t s GLY 108 N -2.10 -0.46 -0.06 -0.13 0.00 -1.26 -5.18 107.32 98.13 1n5t s GLY 108 Ca 0.00 1.14 -0.24 0.00 0.00 0.00 0.00 44.72 45.63 1n5t s GLY 108 CO 0.00 0.48 0.53 0.00 0.00 0.00 0.00 173.10 174.11 1n5t s ALA 109 N -2.71 -1.36 -0.19 3.20 0.00 -1.26 -5.11 121.76 114.33 1n5t s ALA 109 Ca 0.02 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1n5t s ALA 109 Cb -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1n5t s ALA 109 CO -0.06 -0.32 -0.14 0.42 0.00 0.00 0.00 175.76 175.66 1n5t s ILE 110 N -1.05 2.54 0.19 0.00 1.01 -1.26 -5.13 121.20 117.50 1n5t s ILE 110 Ca -0.11 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 59.87 1n5t s ILE 110 Cb -0.02 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1n5t s ILE 110 CO 0.07 0.50 -0.14 -0.76 0.00 0.00 0.00 174.94 174.60 1n5t s LEU 111 N 1.36 2.80 0.78 2.97 1.02 -1.26 -5.12 118.68 121.23 1n5t s LEU 111 Ca 0.05 -0.69 -0.14 0.00 0.02 0.00 0.00 54.13 53.37 1n5t s LEU 111 Cb -0.13 -1.49 0.06 0.00 0.02 0.00 0.00 46.19 44.65 1n5t s LEU 111 CO -0.09 0.10 1.15 -0.81 0.02 0.00 0.00 176.35 176.71 1n5t n PRO 112 N 0.05 0.32 0.00 1.29 -0.04 -1.26 -5.29 135.00 130.07 1n5t n PRO 112 Ca -0.11 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1n5t n PRO 112 Cb 0.56 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1n5t n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91