#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1i h ALA 10 N 0.00 1.00 -0.09 -0.43 0.00 -2.02 0.31 119.26 118.03 1n1i h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n1i h ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n1i h ALA 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1n1i n HIS 11 N -2.97 0.09 -2.81 0.00 8.25 -1.26 -4.77 115.22 111.74 1n1i n HIS 11 Ca -0.02 -0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 1n1i n HIS 11 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1n1i n HIS 11 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1n1i s LYS 12 N -1.91 4.49 0.48 -0.41 2.20 0.10 -0.52 119.74 124.17 1n1i s LYS 12 Ca 0.33 1.24 -0.23 0.00 -0.36 0.00 0.00 55.97 56.95 1n1i s LYS 12 Cb 0.20 -3.47 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1n1i s LYS 12 CO 0.31 -0.07 1.29 0.00 -0.36 0.00 0.00 175.35 176.52 1n1i n ILE 14 N -0.52 0.00 0.25 0.00 -5.35 -1.26 -4.84 119.36 107.64 1n1i n ILE 14 Ca 0.07 -0.05 0.03 0.00 -0.27 0.00 0.00 62.75 62.53 1n1i n ILE 14 Cb 0.45 0.98 -0.00 0.00 -1.74 0.00 0.00 39.64 39.33 1n1i n ILE 14 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1n1i n ASP 15 N -0.10 0.93 -4.54 7.28 8.00 -1.26 -5.02 116.55 121.84 1n1i n ASP 15 Ca 0.00 -0.97 -0.34 0.00 0.71 0.00 0.00 54.79 54.19 1n1i n ASP 15 Cb 0.00 0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 1n1i n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1n1i s THR 16 N -0.96 3.79 -0.78 -3.53 2.01 -1.26 -5.04 115.64 109.87 1n1i s THR 16 Ca 0.05 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1n1i s THR 16 Cb 0.05 -2.60 0.12 0.00 0.01 0.00 0.00 72.50 70.08 1n1i s THR 16 CO 0.14 0.55 0.95 0.20 -0.69 0.00 0.00 174.62 175.78 1n1i s ASN 17 N -0.28 6.44 0.07 3.53 0.01 -1.26 -5.00 114.94 118.44 1n1i s ASN 17 Ca 0.04 -1.73 -0.31 0.00 -0.71 0.00 0.00 52.86 50.15 1n1i s ASN 17 Cb -0.13 -2.36 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 1n1i s ASN 17 CO 0.02 -1.11 1.46 -0.69 -1.51 0.00 0.00 177.10 175.27 1n1i s VAL 18 N 2.73 3.36 0.70 1.60 1.01 -1.26 -5.01 120.40 123.54 1n1i s VAL 18 Ca 0.24 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 1n1i s VAL 18 Cb -0.13 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1n1i s VAL 18 CO -0.01 0.03 1.18 -2.84 0.00 0.00 0.00 175.10 173.46 1n1i s PRO 19 N 1.91 2.39 0.34 2.72 0.02 -1.26 -4.94 135.00 136.17 1n1i s PRO 19 Ca 0.67 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.08 1n1i s PRO 19 Cb -0.36 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.19 1n1i s PRO 19 CO 0.29 -1.63 1.37 -2.00 -0.33 0.00 0.00 177.00 174.70 1n1i s GLU 20 N -3.88 4.27 -0.50 5.54 2.12 -1.26 -2.87 118.70 122.12 1n1i s GLU 20 Ca 0.73 2.33 -0.01 0.00 0.36 0.00 0.00 54.97 58.39 1n1i s GLU 20 Cb -0.27 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1n1i s GLU 20 CO 0.43 -0.31 0.09 0.09 -0.54 0.00 0.00 175.26 175.02 1n1i n ASN 21 N 0.77 -2.71 -4.26 -1.70 3.02 -1.26 -4.14 115.26 104.98 1n1i n ASN 21 Ca 0.01 -0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 1n1i n ASN 21 Cb 0.41 -1.84 -0.10 0.00 -0.61 0.00 0.00 39.78 37.64 1n1i n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1i s ALA 22 N -2.52 1.46 0.10 5.41 0.00 -1.14 -1.64 121.76 123.43 1n1i s ALA 22 Ca 0.05 -1.61 0.10 0.00 0.00 0.00 0.00 51.96 50.49 1n1i s ALA 22 Cb -0.02 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1n1i s ALA 22 CO 0.06 -0.27 -0.25 0.00 0.00 0.00 0.00 175.76 175.29 1n1i s ALA 23 N -3.56 2.20 -0.02 0.00 0.00 0.19 -4.78 121.76 115.79 1n1i s ALA 23 Ca 0.24 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1n1i s ALA 23 Cb 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1n1i s ALA 23 CO 0.04 0.49 -0.13 0.00 0.00 0.00 0.00 175.76 176.17 1n1i s TYR 25 N -0.08 1.97 -0.25 0.00 5.04 0.65 -4.52 117.35 120.15 1n1i s TYR 25 Ca 0.01 -0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 53.85 1n1i s TYR 25 Cb -0.08 -1.35 -0.03 0.00 0.35 0.00 0.00 41.96 40.86 1n1i s TYR 25 CO 0.00 -0.29 0.09 0.50 -1.34 0.00 0.00 175.55 174.51 1n1i s ARG 26 N 0.33 3.75 0.44 4.97 3.52 0.33 -1.08 118.95 131.21 1n1i s ARG 26 Ca -0.12 -0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.93 1n1i s ARG 26 Cb -0.15 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.81 1n1i s ARG 26 CO 0.05 -0.13 0.83 0.71 -0.81 0.00 0.00 175.30 175.95 1n1i s TYR 27 N 1.48 3.48 0.63 5.12 2.02 0.21 -4.22 117.35 126.07 1n1i s TYR 27 Ca 0.06 1.14 0.35 0.00 -0.37 0.00 0.00 57.07 58.25 1n1i s TYR 27 Cb -0.15 -2.53 1.96 0.00 -0.40 0.00 0.00 41.96 40.84 1n1i s TYR 27 CO 0.05 -0.20 2.20 -0.07 -1.57 0.00 0.00 175.55 175.96 1n1i h LEU 28 N 1.05 0.00 0.00 -1.29 4.07 -1.86 0.10 115.31 117.38 1n1i h LEU 28 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1n1i h LEU 28 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1n1i h LEU 28 CO 0.63 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.09 1n1i n ASP 29 N -3.43 0.00 0.00 -0.43 5.75 -1.26 -4.84 116.55 112.34 1n1i n ASP 29 Ca -0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1n1i n ASP 29 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1n1i n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n1i n GLY 30 N 0.76 0.57 3.76 6.12 0.00 0.02 -5.06 105.19 111.35 1n1i n GLY 30 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1n1i n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n1i s THR 31 N -2.23 3.38 -0.03 2.61 2.01 -1.23 -4.78 115.64 115.37 1n1i s THR 31 Ca 0.00 1.36 0.07 0.00 0.31 0.00 0.00 61.69 63.43 1n1i s THR 31 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1n1i s THR 31 CO 0.00 0.32 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.39 1n1i s GLU 32 N -1.37 2.13 -0.01 4.92 2.02 -1.26 0.67 118.70 125.80 1n1i s GLU 32 Ca 0.46 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.58 1n1i s GLU 32 Cb -0.33 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1n1i s GLU 32 CO 0.42 0.48 -0.02 -2.00 0.02 0.00 0.00 175.26 174.16 1n1i s GLU 33 N -0.44 0.24 0.15 1.61 2.12 -0.24 -4.98 118.70 117.17 1n1i s GLU 33 Ca 0.05 -0.07 0.11 0.00 0.36 0.00 0.00 54.97 55.42 1n1i s GLU 33 Cb -0.11 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.98 1n1i s GLU 33 CO 0.00 0.03 -0.25 1.67 -0.54 0.00 0.00 175.26 176.17 1n1i s TRP 34 N 0.11 2.27 0.06 5.30 1.48 -1.26 -0.26 118.94 126.65 1n1i s TRP 34 Ca -0.01 -0.38 -0.08 0.00 -1.06 0.00 0.00 56.10 54.58 1n1i s TRP 34 Cb -0.03 -1.19 -0.01 0.00 -1.16 0.00 0.00 33.47 31.08 1n1i s TRP 34 CO -0.00 0.39 0.16 1.03 -4.06 0.00 0.00 176.95 174.47 1n1i s ARG 35 N -2.29 0.74 0.52 3.25 0.52 0.35 -4.96 118.95 117.08 1n1i s ARG 35 Ca 0.16 -0.86 -0.19 0.00 -0.52 0.00 0.00 55.73 54.32 1n1i s ARG 35 Cb -0.09 0.30 -0.07 0.00 0.52 0.00 0.00 34.95 35.61 1n1i s ARG 35 CO 0.07 -0.21 1.07 0.00 0.02 0.00 0.00 175.30 176.25 1n1i s LEU 37 N -3.77 3.12 0.18 0.00 1.43 -0.65 -4.70 118.68 114.29 1n1i s LEU 37 Ca 0.68 1.64 -0.33 0.00 -1.03 0.00 0.00 54.13 55.09 1n1i s LEU 37 Cb -0.18 -4.50 -0.14 0.00 0.03 0.00 0.00 46.19 41.40 1n1i s LEU 37 CO 0.25 -1.51 1.56 0.18 0.23 0.00 0.00 176.35 177.06 1n1i n LEU 38 N -3.17 3.19 0.00 1.79 4.77 -1.26 -1.60 117.00 120.72 1n1i n LEU 38 Ca 0.08 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 1n1i n LEU 38 Cb 0.53 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1n1i n LEU 38 CO 0.55 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1n1i n GLY 39 N 3.18 0.36 3.27 -0.72 0.00 -1.26 -5.07 105.19 104.95 1n1i n GLY 39 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1n1i n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n1i s PHE 40 N -2.00 1.81 0.04 1.61 0.40 -0.62 -1.93 117.98 117.28 1n1i s PHE 40 Ca 0.00 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.02 1n1i s PHE 40 Cb 0.00 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 1n1i s PHE 40 CO 0.00 0.16 -0.25 0.21 0.70 0.00 0.00 175.22 176.04 1n1i s LYS 41 N -1.58 1.74 -0.28 0.44 2.20 0.14 -4.67 119.74 117.73 1n1i s LYS 41 Ca 0.07 -1.05 -0.29 0.00 -0.36 0.00 0.00 55.97 54.34 1n1i s LYS 41 Cb -0.09 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1n1i s LYS 41 CO 0.03 0.49 1.24 -2.00 -0.36 0.00 0.00 175.35 174.75 1n1i s GLU 42 N -1.15 4.02 -0.21 4.03 2.12 -1.26 -0.96 118.70 125.28 1n1i s GLU 42 Ca 0.11 1.29 -0.03 0.00 0.36 0.00 0.00 54.97 56.70 1n1i s GLU 42 Cb -0.10 -3.82 0.07 0.00 0.26 0.00 0.00 34.13 30.54 1n1i s GLU 42 CO 0.02 -0.98 0.05 0.08 -0.54 0.00 0.00 175.26 173.88 1n1i s VAL 43 N 4.03 0.52 -1.10 3.70 1.01 0.11 -4.87 120.40 123.81 1n1i s VAL 43 Ca 0.53 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1n1i s VAL 43 Cb -0.17 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1n1i s VAL 43 CO 0.19 -0.28 0.93 0.61 0.00 0.00 0.00 175.10 176.56 1n1i n GLY 44 N 5.04 -0.67 2.79 4.51 0.00 -1.26 -2.32 105.19 113.28 1n1i n GLY 44 Ca -0.08 0.29 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1n1i n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1i n GLY 45 N -1.18 0.26 3.14 -0.02 0.00 -1.26 -4.96 105.19 101.17 1n1i n GLY 45 Ca -0.19 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1n1i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1i s LYS 46 N -1.82 0.78 -0.47 1.61 1.02 -0.98 -4.92 119.74 114.96 1n1i s LYS 46 Ca 0.00 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1n1i s LYS 46 Cb 0.00 -0.75 0.05 0.00 -0.52 0.00 0.00 37.83 36.61 1n1i s LYS 46 CO 0.00 0.17 0.50 0.00 -0.92 0.00 0.00 175.35 175.10 1n1i s VAL 48 N 2.22 4.24 0.45 0.00 0.11 -0.14 -4.76 120.40 122.52 1n1i s VAL 48 Ca 0.11 -1.29 -0.25 0.00 -2.93 0.00 0.00 61.98 57.62 1n1i s VAL 48 Cb -0.20 -3.19 -0.08 0.00 -1.53 0.00 0.00 36.38 31.38 1n1i s VAL 48 CO 0.11 -0.18 1.41 -2.84 -3.33 0.00 0.00 175.10 170.28 1n1i s PRO 49 N -3.27 3.69 0.08 1.54 0.02 -1.26 0.25 135.00 136.04 1n1i s PRO 49 Ca 0.31 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 63.51 1n1i s PRO 49 Cb -0.09 -2.65 0.05 0.00 0.02 0.00 0.00 34.50 31.83 1n1i s PRO 49 CO 0.22 -0.80 0.48 0.00 -0.33 0.00 0.00 177.00 176.57 1n1i s ALA 50 N -1.21 -1.21 -0.38 -1.55 0.00 -0.82 -4.71 121.76 111.88 1n1i s ALA 50 Ca 0.61 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 1n1i s ALA 50 Cb -0.43 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1n1i s ALA 50 CO 0.55 -0.56 0.64 0.45 0.00 0.00 0.00 175.76 176.85 1n1i s SER 51 N -2.26 6.40 0.32 0.00 0.15 -1.26 -4.68 113.70 112.37 1n1i s SER 51 Ca -0.03 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.65 1n1i s SER 51 Cb -0.00 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1n1i s SER 51 CO -0.06 -0.65 0.50 0.27 1.20 0.00 0.00 173.24 174.51 1n1i s ILE 52 N 2.76 5.10 -0.10 6.45 -4.36 -1.26 -5.12 121.20 124.66 1n1i s ILE 52 Ca 0.24 -0.60 -0.06 0.00 -0.26 0.00 0.00 60.65 59.98 1n1i s ILE 52 Cb -0.14 -3.84 0.04 0.00 1.25 0.00 0.00 42.46 39.77 1n1i s ILE 52 CO 0.16 -0.49 0.24 0.28 0.24 0.00 0.00 174.94 175.37 1n1i s THR 53 N -2.24 -0.04 0.05 8.37 -1.32 -1.26 -5.01 115.64 114.18 1n1i s THR 53 Ca 0.39 0.13 0.15 0.00 -1.21 0.00 0.00 61.69 61.15 1n1i s THR 53 Cb -0.09 -0.38 0.15 0.00 -1.51 0.00 0.00 72.50 70.67 1n1i s THR 53 CO 0.34 0.06 1.37 0.00 -2.21 0.00 0.00 174.62 174.18 1n1i h GLU 55 N 0.00 0.10 -6.13 0.00 4.39 -1.95 -3.23 114.58 107.75 1n1i h GLU 55 Ca 0.00 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 58.98 1n1i h GLU 55 Cb 0.56 -0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 28.98 1n1i h GLU 55 CO 0.00 0.44 -0.75 -2.00 -1.16 0.00 0.00 179.01 175.55 1n1i s GLU 56 N -4.24 2.70 -0.53 2.33 2.12 -0.58 -4.56 118.70 115.94 1n1i s GLU 56 Ca -0.04 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1n1i s GLU 56 Cb 0.14 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1n1i s GLU 56 CO 0.74 0.58 0.00 -1.71 -0.54 0.00 0.00 175.26 174.33 1n1i n ASN 57 N 2.46 -2.22 -3.86 -1.70 4.05 -1.26 0.32 115.26 113.04 1n1i n ASN 57 Ca -0.17 0.31 -0.28 0.00 0.45 0.00 0.00 54.58 54.88 1n1i n ASN 57 Cb 0.52 -2.03 0.03 0.00 1.23 0.00 0.00 39.78 39.53 1n1i n ASN 57 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1n1i n ASN 58 N -1.25 -4.30 0.00 1.20 5.15 -1.25 -0.94 115.26 113.87 1n1i n ASN 58 Ca -0.07 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1n1i n ASN 58 Cb 0.48 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 35.75 1n1i n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n1i n GLY 59 N -1.70 0.19 0.48 8.20 0.00 0.15 -1.22 105.19 111.29 1n1i n GLY 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1n1i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1i n GLY 60 N -0.67 0.53 3.79 -0.02 0.00 -0.11 -4.77 105.19 103.93 1n1i n GLY 60 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1n1i n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1i n ALA 62 N -3.36 0.77 -0.21 0.00 0.00 -0.65 -4.75 120.51 112.31 1n1i n ALA 62 Ca 0.08 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.67 1n1i n ALA 62 Cb 0.53 -2.26 0.52 0.00 0.00 0.00 0.00 19.45 18.24 1n1i n ALA 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n1i h PRO 63 N 0.33 0.37 -0.68 0.00 0.11 -1.92 -0.68 132.00 129.52 1n1i h PRO 63 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n1i h PRO 63 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1n1i h PRO 63 CO 0.51 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1n1i n GLU 64 N -4.48 3.85 -4.30 1.05 0.00 -1.26 -4.93 120.64 110.57 1n1i n GLU 64 Ca 0.17 -2.33 -0.23 0.00 0.00 0.00 0.00 57.16 54.77 1n1i n GLU 64 Cb 0.65 -2.05 -0.07 0.00 0.00 0.00 0.00 31.44 29.97 1n1i n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n1i s ALA 65 N -2.27 3.14 -0.18 -1.84 0.00 -0.26 -4.58 121.76 115.77 1n1i s ALA 65 Ca 0.40 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1n1i s ALA 65 Cb 0.31 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1n1i s ALA 65 CO 0.12 0.25 0.19 -2.00 0.00 0.00 0.00 175.76 174.32 1n1i s GLU 66 N -3.67 4.20 -0.08 0.00 2.12 0.60 -4.85 118.70 117.02 1n1i s GLU 66 Ca 0.32 -0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.50 1n1i s GLU 66 Cb -0.06 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1n1i s GLU 66 CO 0.20 0.29 0.08 0.00 -0.54 0.00 0.00 175.26 175.28 1n1i s THR 68 N -1.02 -0.06 0.06 0.00 -4.23 -0.99 -5.01 115.64 104.38 1n1i s THR 68 Ca 0.16 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 1n1i s THR 68 Cb -0.12 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.40 1n1i s THR 68 CO 0.06 0.07 0.07 0.23 -0.54 0.00 0.00 174.62 174.51 1n1i n MET 69 N 4.30 1.03 -3.72 3.99 2.81 -1.26 -1.60 117.12 122.67 1n1i n MET 69 Ca -0.25 -0.31 -0.09 0.00 -1.81 0.00 0.00 57.70 55.25 1n1i n MET 69 Cb 0.52 -0.01 -0.02 0.00 -0.71 0.00 0.00 33.22 33.00 1n1i n MET 69 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1n1i s ASP 70 N -1.35 -0.36 0.57 7.83 1.01 -1.22 -4.93 116.67 118.22 1n1i s ASP 70 Ca 0.06 -0.41 0.30 0.00 0.71 0.00 0.00 52.55 53.20 1n1i s ASP 70 Cb -0.00 0.69 1.44 0.00 1.01 0.00 0.00 42.92 46.06 1n1i s ASP 70 CO 0.04 -1.23 1.85 0.44 0.21 0.00 0.00 175.17 176.48 1n1i h ASP 71 N 2.00 0.00 -0.05 0.27 3.32 -2.01 1.64 116.42 121.59 1n1i h ASP 71 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1n1i h ASP 71 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1n1i h ASP 71 CO 0.28 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.09 1n1i n LYS 72 N -3.85 1.37 -1.37 3.56 4.76 -1.26 -4.93 118.16 116.45 1n1i n LYS 72 Ca 0.13 -0.55 -0.13 0.00 -2.87 0.00 0.00 58.31 54.89 1n1i n LYS 72 Cb 0.84 -1.42 -0.05 0.00 -1.84 0.00 0.00 35.03 32.56 1n1i n LYS 72 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1n1i n LYS 73 N -0.28 -1.56 -4.02 1.97 5.02 0.56 -5.00 118.16 114.85 1n1i n LYS 73 Ca 0.18 0.94 -0.31 0.00 -2.02 0.00 0.00 58.31 57.10 1n1i n LYS 73 Cb 0.22 -5.30 -0.06 0.00 -0.02 0.00 0.00 35.03 29.87 1n1i n LYS 73 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1n1i s GLU 74 N -3.04 3.01 0.05 1.97 -1.05 -1.26 -4.85 118.70 113.53 1n1i s GLU 74 Ca 0.00 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1n1i s GLU 74 Cb 0.00 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 1n1i s GLU 74 CO 0.00 0.58 0.15 0.14 0.95 0.00 0.00 175.26 177.08 1n1i s VAL 75 N -1.40 5.08 -0.01 1.83 -7.23 -1.26 -3.45 120.40 113.97 1n1i s VAL 75 Ca 0.30 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 1n1i s VAL 75 Cb -0.12 -3.44 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 1n1i s VAL 75 CO 0.23 0.19 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.43 1n1i s GLU 76 N -2.29 0.72 -0.03 4.82 2.12 -0.62 -5.02 118.70 118.39 1n1i s GLU 76 Ca 0.31 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.41 1n1i s GLU 76 Cb -0.13 -0.69 -0.02 0.00 0.26 0.00 0.00 34.13 33.56 1n1i s GLU 76 CO 0.23 0.17 -0.25 0.00 -0.54 0.00 0.00 175.26 174.87 1n1i s LYS 78 N -0.46 0.70 -0.88 0.00 1.02 -0.57 -4.68 119.74 114.88 1n1i s LYS 78 Ca 0.05 -0.15 -0.16 0.00 0.02 0.00 0.00 55.97 55.73 1n1i s LYS 78 Cb -0.11 -0.70 0.17 0.00 -0.52 0.00 0.00 37.83 36.67 1n1i s LYS 78 CO 0.01 0.01 0.95 0.00 -0.92 0.00 0.00 175.35 175.39 1n1i h THR 80 N 5.32 0.94 -2.02 0.00 1.35 -1.88 -3.44 112.91 113.18 1n1i h THR 80 Ca 0.13 -0.31 -0.63 0.00 -0.55 0.00 0.00 66.41 65.05 1n1i h THR 80 Cb 1.03 -0.04 0.05 0.00 -1.73 0.00 0.00 68.15 67.46 1n1i h THR 80 CO 0.93 0.16 0.78 1.17 -0.25 0.00 0.00 175.52 178.32 1n1i n LYS 81 N -4.55 1.83 -2.12 4.72 3.00 -1.26 -4.86 118.16 114.91 1n1i n LYS 81 Ca 0.16 0.66 -0.42 0.00 -0.00 0.00 0.00 58.31 58.71 1n1i n LYS 81 Cb 0.33 -2.41 -0.03 0.00 0.00 0.00 0.00 35.03 32.93 1n1i n LYS 81 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1n1i s GLU 82 N 1.59 4.21 0.00 1.64 2.12 -1.26 -2.48 118.70 124.52 1n1i s GLU 82 Ca 0.84 2.05 0.00 0.00 0.36 0.00 0.00 54.97 58.22 1n1i s GLU 82 Cb -0.78 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 29.75 1n1i s GLU 82 CO 0.45 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 1n1i n GLY 83 N 3.94 2.29 3.56 -1.50 0.00 -1.26 -4.83 105.19 107.40 1n1i n GLY 83 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1n1i n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n1i s SER 84 N -1.80 5.02 0.19 1.61 1.04 -1.04 -4.42 113.70 114.31 1n1i s SER 84 Ca 0.00 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.47 1n1i s SER 84 Cb 0.00 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1n1i s SER 84 CO 0.00 0.22 0.04 -1.61 0.98 0.00 0.00 173.24 172.87 1n1i s GLU 85 N 0.04 2.51 0.20 4.02 0.41 -1.26 -4.77 118.70 119.85 1n1i s GLU 85 Ca 0.01 -1.12 -0.29 0.00 -0.41 0.00 0.00 54.97 53.17 1n1i s GLU 85 Cb -0.13 -2.39 -0.08 0.00 -1.78 0.00 0.00 34.13 29.75 1n1i s GLU 85 CO 0.02 0.44 0.92 -1.25 -0.49 0.00 0.00 175.26 174.90 1n1i s PRO 86 N -3.17 4.78 -0.05 0.39 0.04 -1.26 -0.58 135.00 135.15 1n1i s PRO 86 Ca 0.29 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.82 1n1i s PRO 86 Cb -0.09 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1n1i s PRO 86 CO 0.20 0.46 -0.25 -0.51 0.04 0.00 0.00 177.00 176.94 1n1i s LEU 87 N -0.91 2.05 -1.17 -3.56 1.02 0.15 -4.62 118.68 111.65 1n1i s LEU 87 Ca 0.41 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 1n1i s LEU 87 Cb -0.25 -1.33 -0.02 0.00 0.02 0.00 0.00 46.19 44.61 1n1i s LEU 87 CO 0.30 0.26 0.92 0.49 0.02 0.00 0.00 176.35 178.35 1n1i n PHE 88 N 2.82 -2.22 -1.83 0.29 3.72 -1.26 -1.70 117.46 117.27 1n1i n PHE 88 Ca -0.17 0.88 -0.20 0.00 -0.05 0.00 0.00 57.45 57.91 1n1i n PHE 88 Cb 0.52 -4.62 -0.06 0.00 -0.94 0.00 0.00 39.48 34.38 1n1i n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1n1i n GLU 89 N -3.88 -1.54 -0.25 -1.08 1.02 -1.26 -2.06 120.64 111.60 1n1i n GLU 89 Ca -0.21 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1n1i n GLU 89 Cb 0.65 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.52 1n1i n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n1i n GLY 90 N -0.56 0.87 0.28 0.62 0.00 -0.71 -4.14 105.19 101.54 1n1i n GLY 90 Ca -0.21 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.99 1n1i n GLY 90 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n1i h VAL 91 N 0.00 0.00 -3.94 1.61 2.07 -0.74 -1.72 116.25 113.54 1n1i h VAL 91 Ca 0.00 -0.49 -0.32 0.00 0.82 0.00 0.00 66.70 66.70 1n1i h VAL 91 Cb 0.00 1.49 -0.27 0.00 -1.52 0.00 0.00 31.29 30.99 1n1i h VAL 91 CO 0.00 0.00 -0.75 -0.36 0.02 0.00 0.00 177.57 176.48 1n1i s PHE 92 N -3.67 0.57 -0.08 1.57 0.08 -0.72 -3.49 117.98 112.23 1n1i s PHE 92 Ca 0.01 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 56.91 1n1i s PHE 92 Cb 0.09 -0.36 -0.00 0.00 -0.57 0.00 0.00 43.02 42.18 1n1i s PHE 92 CO 0.54 -0.02 -0.24 0.00 -0.10 0.00 0.00 175.22 175.39 1n1i s SER 94 N 0.15 0.62 -0.12 0.00 1.04 0.25 -4.92 113.70 110.72 1n1i s SER 94 Ca -0.13 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.06 1n1i s SER 94 Cb -0.16 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.62 1n1i s SER 94 CO 0.07 -4.34 0.26 -0.44 0.98 0.00 0.00 173.24 169.77 1n1i s SER 95 N -3.45 6.47 0.42 7.02 0.01 -1.26 -4.57 113.70 118.34 1n1i s SER 95 Ca 0.69 0.55 -0.23 0.00 1.31 0.00 0.00 55.95 58.27 1n1i s SER 95 Cb -0.14 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.85 1n1i s SER 95 CO 0.58 0.23 1.04 -0.55 0.41 0.00 0.00 173.24 174.95 1n1i s SER 96 N -0.22 6.66 0.00 2.44 0.15 -1.26 -4.70 113.70 116.77 1n1i s SER 96 Ca 0.16 2.00 0.30 0.00 0.70 0.00 0.00 55.95 59.11 1n1i s SER 96 Cb -0.13 -2.58 1.51 0.00 -1.71 0.00 0.00 66.02 63.11 1n1i s SER 96 CO 0.05 -0.56 2.03 -0.24 1.20 0.00 0.00 173.24 175.73 1n1i n SER 97 N -0.30 0.15 0.00 5.45 2.88 -1.26 -5.02 113.62 115.52 1n1i n SER 97 Ca 0.06 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1n1i n SER 97 Cb 0.50 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1n1i n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n1i n GLY 98 N 1.23 -0.53 0.11 0.46 0.00 -1.26 -4.42 105.19 100.77 1n1i n GLY 98 Ca 0.16 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1n1i n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n1i h PRO 99 N 0.00 0.28 0.00 1.61 0.13 -1.96 -3.42 132.00 128.64 1n1i h PRO 99 Ca 0.00 -0.48 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 1n1i h PRO 99 Cb 0.00 0.18 -0.06 0.00 0.13 0.00 0.00 31.00 31.24 1n1i h PRO 99 CO 0.00 1.23 -2.29 0.72 -0.23 0.00 0.00 178.00 177.42 1n1i n HIS 100 N -3.54 0.00 1.79 1.56 8.25 -1.26 -5.22 115.22 116.80 1n1i n HIS 100 Ca -0.09 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.53 1n1i n HIS 100 Cb 1.02 -0.91 0.77 0.00 1.12 0.00 0.00 29.99 32.00 1n1i n HIS 100 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70