#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s LYS 15 N 0.00 4.34 -0.19 1.09 2.36 -1.26 -4.83 119.74 121.24 1s1i s LYS 15 Ca 0.00 2.19 -0.29 0.00 -2.55 0.00 0.00 55.97 55.33 1s1i s LYS 15 Cb 0.00 -3.13 -0.05 0.00 -1.05 0.00 0.00 37.83 33.61 1s1i s LYS 15 CO 0.00 -0.29 2.00 -1.59 1.55 0.00 0.00 175.35 177.02 1s1i s LYS 16 N -0.72 3.45 0.42 4.03 0.00 -1.26 -4.88 119.74 120.78 1s1i s LYS 16 Ca 0.55 1.96 -0.24 0.00 0.00 0.00 0.00 55.97 58.24 1s1i s LYS 16 Cb -0.39 -4.25 -0.08 0.00 0.00 0.00 0.00 37.83 33.10 1s1i s LYS 16 CO 0.44 -1.73 1.15 -0.59 0.00 0.00 0.00 175.35 174.62 1s1i s PHE 17 N 6.90 3.04 -0.12 1.78 -0.71 -1.26 -5.00 117.98 122.61 1s1i s PHE 17 Ca 0.90 1.56 -0.17 0.00 -1.04 0.00 0.00 56.93 58.18 1s1i s PHE 17 Cb -0.31 -3.35 0.04 0.00 -1.21 0.00 0.00 43.02 38.19 1s1i s PHE 17 CO 0.35 -1.27 0.44 0.15 -1.34 0.00 0.00 175.22 173.55 1s1i s LYS 18 N -2.44 0.62 0.37 1.99 -0.14 -1.26 -4.85 119.74 114.03 1s1i s LYS 18 Ca 0.59 0.37 -0.26 0.00 -1.36 0.00 0.00 55.97 55.32 1s1i s LYS 18 Cb -0.29 0.29 -0.09 0.00 -1.68 0.00 0.00 37.83 36.07 1s1i s LYS 18 CO 0.36 -0.12 1.10 0.50 -0.76 0.00 0.00 175.35 176.43 1s1i s ARG 19 N -0.33 4.23 0.53 1.68 3.00 -0.83 -4.83 118.95 122.40 1s1i s ARG 19 Ca -0.05 1.69 -0.22 0.00 -1.00 0.00 0.00 55.73 56.15 1s1i s ARG 19 Cb -0.03 -2.73 -0.06 0.00 0.00 0.00 0.00 34.95 32.13 1s1i s ARG 19 CO 0.03 -0.13 1.33 -2.39 0.00 0.00 0.00 175.30 174.14 1s1i n HIS 20 N 0.25 2.21 -2.41 5.12 1.44 -1.26 -2.27 115.22 118.30 1s1i n HIS 20 Ca 0.03 0.44 -0.19 0.00 -2.01 0.00 0.00 57.72 56.00 1s1i n HIS 20 Cb 0.47 -2.36 -0.01 0.00 0.12 0.00 0.00 29.99 28.22 1s1i n HIS 20 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1s1i n HIS 21 N -0.95 -1.11 0.03 -1.40 8.25 -1.26 -4.82 115.22 113.96 1s1i n HIS 21 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 1s1i n HIS 21 Cb 0.44 -3.65 0.11 0.00 1.12 0.00 0.00 29.99 28.00 1s1i n HIS 21 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1s1i h SER 22 N 0.00 0.48 -0.63 0.41 4.64 -1.75 -2.45 113.55 114.26 1s1i h SER 22 Ca -0.44 -0.24 -0.39 0.00 -0.47 0.00 0.00 61.79 60.24 1s1i h SER 22 Cb 1.33 -0.14 -0.19 0.00 -0.31 0.00 0.00 62.40 63.09 1s1i h SER 22 CO 0.52 0.91 0.51 0.47 -0.87 0.00 0.00 176.83 178.36 1s1i n ASP 23 N -3.97 5.69 0.02 4.97 8.00 -1.26 -4.09 116.55 125.92 1s1i n ASP 23 Ca -0.02 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1s1i n ASP 23 Cb 0.57 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1s1i n ASP 23 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1s1i n ARG 24 N -0.20 0.00 -3.55 -1.24 0.00 -0.93 -4.97 116.66 105.78 1s1i n ARG 24 Ca 0.39 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.83 1s1i n ARG 24 Cb 0.82 -0.11 -0.11 0.00 0.00 0.00 0.00 32.46 33.07 1s1i n ARG 24 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1s1i s TYR 25 N -1.29 3.24 0.00 -0.14 1.13 -1.16 -4.97 117.35 114.15 1s1i s TYR 25 Ca 0.00 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1s1i s TYR 25 Cb 0.00 -2.49 0.00 0.00 -1.10 0.00 0.00 41.96 38.37 1s1i s TYR 25 CO 0.00 -0.58 0.00 1.58 -2.51 0.00 0.00 175.55 174.04 1s1i n HIS 26 N 5.07 0.00 0.17 -3.49 -0.00 -1.26 -0.18 115.22 115.53 1s1i n HIS 26 Ca -0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.68 1s1i n HIS 26 Cb 0.47 0.00 0.59 0.00 -0.00 0.00 0.00 29.99 31.05 1s1i n HIS 26 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1s1i h ARG 27 N 0.00 0.14 -6.85 1.57 0.11 -1.93 -3.40 114.38 104.01 1s1i h ARG 27 Ca 0.00 -0.01 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 1s1i h ARG 27 Cb 0.00 -0.03 0.14 0.00 1.11 0.00 0.00 29.97 31.19 1s1i h ARG 27 CO 0.00 0.09 0.37 1.33 0.10 0.00 0.00 179.97 181.86 1s1i n VAL 28 N -4.51 3.16 -4.39 0.08 0.24 0.74 -4.96 118.33 108.70 1s1i n VAL 28 Ca -0.01 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.51 1s1i n VAL 28 Cb 0.12 -1.42 -0.07 0.00 -1.47 0.00 0.00 33.84 31.00 1s1i n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s1i s ALA 29 N -1.32 3.75 0.43 2.33 0.00 -1.26 -4.86 121.76 120.83 1s1i s ALA 29 Ca 0.68 -1.56 0.12 0.00 0.00 0.00 0.00 51.96 51.19 1s1i s ALA 29 Cb -0.47 -0.19 0.92 0.00 0.00 0.00 0.00 23.12 23.39 1s1i s ALA 29 CO 0.53 -0.16 1.98 1.05 0.00 0.00 0.00 175.76 179.17 1s1i h GLU 30 N 1.39 0.17 -6.24 0.00 9.09 -1.90 -3.40 114.58 113.69 1s1i h GLU 30 Ca -0.43 -0.03 -0.68 0.00 0.05 0.00 0.00 59.36 58.28 1s1i h GLU 30 Cb 1.27 -0.03 0.03 0.00 -1.65 0.00 0.00 28.75 28.37 1s1i h GLU 30 CO 0.72 0.27 0.89 0.27 0.05 0.00 0.00 179.01 181.21 1s1i n ASN 31 N -4.35 2.69 -4.87 3.06 6.94 -1.26 -1.96 115.26 115.51 1s1i n ASN 31 Ca -0.01 1.05 -0.32 0.00 -0.02 0.00 0.00 54.58 55.28 1s1i n ASN 31 Cb 0.22 -1.25 -0.05 0.00 -2.36 0.00 0.00 39.78 36.33 1s1i n ASN 31 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1s1i s TRP 32 N 3.04 3.41 0.14 -2.53 -0.00 -1.26 -4.04 118.94 117.70 1s1i s TRP 32 Ca 0.93 1.01 -0.02 0.00 -0.00 0.00 0.00 56.10 58.02 1s1i s TRP 32 Cb -0.90 -2.38 0.01 0.00 -0.00 0.00 0.00 33.47 30.20 1s1i s TRP 32 CO 0.56 0.15 0.22 2.89 -0.00 0.00 0.00 176.95 180.76 1s1i n ARG 33 N -0.43 0.31 -1.41 5.86 1.85 -1.26 -4.82 116.66 116.75 1s1i n ARG 33 Ca 0.02 -1.07 -0.29 0.00 -1.00 0.00 0.00 57.85 55.51 1s1i n ARG 33 Cb 0.53 1.08 0.15 0.00 -1.05 0.00 0.00 32.46 33.17 1s1i n ARG 33 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1s1i s LYS 34 N -2.27 0.87 0.26 2.89 -0.14 -1.26 -4.80 119.74 115.29 1s1i s LYS 34 Ca 0.11 0.35 -0.03 0.00 -1.36 0.00 0.00 55.97 55.04 1s1i s LYS 34 Cb -0.01 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 1s1i s LYS 34 CO 0.08 -2.40 0.48 1.14 -0.76 0.00 0.00 175.35 173.89 1s1i s GLN 35 N -5.18 3.57 0.50 1.68 1.03 -1.26 -4.94 119.66 115.06 1s1i s GLN 35 Ca 0.64 -0.17 -0.20 0.00 0.04 0.00 0.00 55.36 55.67 1s1i s GLN 35 Cb -0.16 -2.73 -0.07 0.00 0.03 0.00 0.00 33.01 30.08 1s1i s GLN 35 CO 0.55 0.29 1.08 0.21 -2.54 0.00 0.00 175.29 174.87 1s1i s LYS 36 N -3.53 3.64 0.27 9.60 2.47 -1.26 -4.92 119.74 126.01 1s1i s LYS 36 Ca 0.41 1.49 -0.02 0.00 -1.56 0.00 0.00 55.97 56.29 1s1i s LYS 36 Cb -0.11 -2.10 0.37 0.00 -1.46 0.00 0.00 37.83 34.53 1s1i s LYS 36 CO 0.30 -0.59 1.81 0.78 0.16 0.00 0.00 175.35 177.82 1s1i h GLY 37 N 1.49 0.92 -2.68 5.54 0.00 -1.98 -3.39 103.07 102.97 1s1i h GLY 37 Ca -0.50 -0.54 -0.57 0.00 0.00 0.00 0.00 47.33 45.72 1s1i h GLY 37 CO 0.58 0.50 0.02 4.51 0.00 0.00 0.00 176.54 182.16 1s1i n ILE 38 N -4.27 3.50 -1.51 2.60 3.06 -1.26 -4.56 119.36 116.92 1s1i n ILE 38 Ca 0.04 -0.50 -0.40 0.00 -2.50 0.00 0.00 62.75 59.39 1s1i n ILE 38 Cb 0.23 -1.05 -0.11 0.00 0.54 0.00 0.00 39.64 39.25 1s1i n ILE 38 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1s1i n ASP 39 N -0.59 1.00 -2.61 9.51 8.00 -1.26 -4.74 116.55 125.85 1s1i n ASP 39 Ca 0.14 -0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 1s1i n ASP 39 Cb 0.48 -1.14 0.01 0.00 -0.02 0.00 0.00 41.12 40.45 1s1i n ASP 39 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s1i n SER 40 N 12.16 2.95 0.00 -2.24 3.41 -1.26 -5.03 113.62 123.60 1s1i n SER 40 Ca 0.56 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1s1i n SER 40 Cb 0.20 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1s1i n SER 40 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1s1i n VAL 41 N -0.24 0.00 -0.24 -3.33 3.14 -1.26 -2.76 118.33 113.65 1s1i n VAL 41 Ca 0.23 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.55 1s1i n VAL 41 Cb 0.73 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.55 1s1i n VAL 41 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 1s1i h VAL 42 N 0.00 1.22 -4.25 1.55 3.04 -1.88 -3.38 116.25 112.55 1s1i h VAL 42 Ca 0.00 -0.64 -0.51 0.00 -1.01 0.00 0.00 66.70 64.54 1s1i h VAL 42 Cb 0.00 0.42 0.12 0.00 -2.01 0.00 0.00 31.29 29.82 1s1i h VAL 42 CO 0.00 0.26 0.35 -0.60 -1.01 0.00 0.00 177.57 176.57 1s1i s ARG 43 N -5.70 2.48 -0.31 4.17 6.06 -1.11 -3.02 118.95 121.52 1s1i s ARG 43 Ca -0.13 1.31 -0.04 0.00 -2.50 0.00 0.00 55.73 54.37 1s1i s ARG 43 Cb 0.14 -1.92 0.01 0.00 0.06 0.00 0.00 34.95 33.24 1s1i s ARG 43 CO 0.80 -1.49 0.14 0.54 -2.50 0.00 0.00 175.30 172.79 1s1i n ARG 44 N -2.96 -2.97 0.07 5.12 1.74 -1.26 -4.24 116.66 112.15 1s1i n ARG 44 Ca 0.10 2.46 0.21 0.00 -0.77 0.00 0.00 57.85 59.84 1s1i n ARG 44 Cb 0.52 -4.99 0.67 0.00 -1.02 0.00 0.00 32.46 27.64 1s1i n ARG 44 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1s1i h ARG 45 N 2.87 0.00 0.00 5.56 0.11 -1.72 -3.43 114.38 117.76 1s1i h ARG 45 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1s1i h ARG 45 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1s1i h ARG 45 CO 0.12 0.00 0.00 1.97 0.10 0.00 0.00 179.97 182.16 1s1i n PHE 46 N -3.47 0.00 -1.48 4.08 1.16 -1.26 -4.61 117.46 111.88 1s1i n PHE 46 Ca 0.09 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.30 1s1i n PHE 46 Cb 0.78 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.71 1s1i n PHE 46 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1s1i n ARG 47 N 0.00 0.62 0.00 3.97 3.00 -1.26 -3.27 116.66 119.72 1s1i n ARG 47 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.09 1s1i n ARG 47 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.46 1s1i n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s1i n GLY 48 N 1.45 2.49 0.23 -0.13 0.00 -1.26 -4.84 105.19 103.13 1s1i n GLY 48 Ca 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1s1i n GLY 48 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1s1i h ASN 49 N 0.63 0.76 -3.28 1.61 -1.07 -1.80 -3.50 115.58 108.93 1s1i h ASN 49 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 56.30 55.99 1s1i h ASN 49 Cb 0.00 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.03 1s1i h ASN 49 CO 0.00 1.12 -0.19 2.30 0.07 0.00 0.00 177.43 180.73 1s1i n ILE 50 N -4.00 -2.54 0.00 6.14 -0.00 -1.26 -4.91 119.36 112.79 1s1i n ILE 50 Ca -0.03 0.67 0.00 0.00 -0.00 0.00 0.00 62.75 63.39 1s1i n ILE 50 Cb 0.58 -1.41 0.00 0.00 -0.00 0.00 0.00 39.64 38.81 1s1i n ILE 50 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1s1i n SER 51 N 1.48 0.00 -3.33 7.28 7.64 -1.26 -4.95 113.62 120.48 1s1i n SER 51 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1s1i n SER 51 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1s1i n SER 51 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1s1i n GLN 52 N 0.00 -1.87 -1.64 1.43 0.00 -1.26 -4.87 117.38 109.17 1s1i n GLN 52 Ca 0.00 0.87 -0.47 0.00 -0.00 0.00 0.00 57.00 57.40 1s1i n GLN 52 Cb 0.00 -5.38 -0.04 0.00 0.00 0.00 0.00 30.24 24.83 1s1i n GLN 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1s1i n PRO 53 N -3.21 1.72 -3.79 3.69 -0.04 -1.26 -4.97 135.00 127.15 1s1i n PRO 53 Ca -0.07 0.62 -0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1s1i n PRO 53 Cb 0.60 -2.24 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 1s1i n PRO 53 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1s1i s LYS 54 N -0.11 0.77 0.52 0.54 0.00 -1.26 -5.12 119.74 115.08 1s1i s LYS 54 Ca 0.73 -0.57 -0.22 0.00 0.00 0.00 0.00 55.97 55.90 1s1i s LYS 54 Cb -0.74 0.33 -0.06 0.00 0.00 0.00 0.00 37.83 37.36 1s1i s LYS 54 CO 0.48 -0.24 1.26 0.44 0.00 0.00 0.00 175.35 177.29 1s1i n ILE 55 N 0.58 3.47 0.00 3.79 -6.64 -1.26 -2.21 119.36 117.09 1s1i n ILE 55 Ca -0.18 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 60.30 1s1i n ILE 55 Cb 0.59 -1.53 0.00 0.00 -1.44 0.00 0.00 39.64 37.26 1s1i n ILE 55 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1s1i n GLY 56 N 0.88 1.76 3.36 3.28 0.00 -1.26 -5.05 105.19 108.17 1s1i n GLY 56 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1s1i n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s1i s TYR 57 N -2.13 3.13 0.00 1.61 1.13 -0.94 -5.01 117.35 115.14 1s1i s TYR 57 Ca 0.00 -0.87 0.00 0.00 -1.41 0.00 0.00 57.07 54.79 1s1i s TYR 57 Cb 0.00 -2.26 0.00 0.00 -1.10 0.00 0.00 41.96 38.60 1s1i s TYR 57 CO 0.00 -0.54 0.00 0.41 -2.51 0.00 0.00 175.55 172.91 1s1i n GLY 58 N 4.88 -0.12 3.54 5.49 0.00 -1.26 -4.97 105.19 112.74 1s1i n GLY 58 Ca -0.15 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1s1i n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s1i n SER 59 N -0.44 -5.08 -4.76 1.61 7.64 -1.26 -4.92 113.62 106.41 1s1i n SER 59 Ca 0.00 -0.88 -0.39 0.00 1.01 0.00 0.00 58.87 58.61 1s1i n SER 59 Cb 0.00 -4.13 0.01 0.00 -1.01 0.00 0.00 64.21 59.08 1s1i n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1s1i s ASN 60 N -3.59 5.95 0.64 6.43 2.20 -1.26 -4.89 114.94 120.41 1s1i s ASN 60 Ca 0.39 2.70 -0.15 0.00 -0.94 0.00 0.00 52.86 54.86 1s1i s ASN 60 Cb -0.10 -2.64 -0.01 0.00 -2.00 0.00 0.00 41.25 36.50 1s1i s ASN 60 CO 0.81 -1.10 1.08 -1.59 -2.94 0.00 0.00 177.10 173.35 1s1i s LYS 61 N -2.51 3.04 0.00 3.55 0.00 -1.26 -2.60 119.74 119.97 1s1i s LYS 61 Ca 0.62 1.23 0.00 0.00 0.00 0.00 0.00 55.97 57.82 1s1i s LYS 61 Cb -0.39 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.45 1s1i s LYS 61 CO 0.48 -1.03 0.00 0.36 0.00 0.00 0.00 175.35 175.16 1s1i n LYS 62 N -2.39 -0.78 -1.60 1.78 -0.00 -1.26 -4.56 118.16 109.35 1s1i n LYS 62 Ca 0.09 0.20 0.01 0.00 -0.00 0.00 0.00 58.31 58.61 1s1i n LYS 62 Cb 0.53 -4.34 0.01 0.00 -0.00 0.00 0.00 35.03 31.22 1s1i n LYS 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1s1i n THR 63 N -2.10 0.15 0.17 0.58 -1.04 -1.17 -4.93 114.28 105.95 1s1i n THR 63 Ca 0.00 -1.01 -0.14 0.00 -2.04 0.00 0.00 64.05 60.86 1s1i n THR 63 Cb 0.20 0.93 -0.08 0.00 -1.82 0.00 0.00 70.33 69.55 1s1i n THR 63 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1s1i h LYS 64 N 0.97 -0.40 -4.84 -2.82 -0.00 -1.74 -3.38 116.57 104.37 1s1i h LYS 64 Ca -0.30 0.03 -0.68 0.00 -0.00 0.00 0.00 60.65 59.70 1s1i h LYS 64 Cb 1.69 0.09 -0.32 0.00 -0.00 0.00 0.00 32.23 33.69 1s1i h LYS 64 CO 0.01 -0.14 -0.72 -0.59 -0.00 0.00 0.00 179.45 178.01 1s1i s PHE 65 N -5.25 3.17 -0.08 0.07 -0.71 -1.26 -4.94 117.98 108.98 1s1i s PHE 65 Ca -0.15 -1.70 -0.16 0.00 -1.04 0.00 0.00 56.93 53.88 1s1i s PHE 65 Cb 0.03 -2.09 0.03 0.00 -1.21 0.00 0.00 43.02 39.79 1s1i s PHE 65 CO 0.59 -0.76 0.38 -1.17 -1.34 0.00 0.00 175.22 172.92 1s1i s LEU 66 N 1.29 0.54 0.61 -1.99 2.96 -1.26 -4.82 118.68 116.02 1s1i s LEU 66 Ca -0.03 0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 54.18 1s1i s LEU 66 Cb -0.18 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 47.91 1s1i s LEU 66 CO -0.03 -0.32 1.17 -0.55 -1.32 0.00 0.00 176.35 175.31 1s1i s SER 67 N -0.59 5.18 0.60 3.68 0.15 -0.98 -4.82 113.70 116.91 1s1i s SER 67 Ca -0.07 2.27 0.31 0.00 0.70 0.00 0.00 55.95 59.16 1s1i s SER 67 Cb -0.04 -2.59 1.87 0.00 -1.71 0.00 0.00 66.02 63.56 1s1i s SER 67 CO 0.03 -1.59 2.26 1.55 1.20 0.00 0.00 173.24 176.69 1s1i h PRO 68 N 0.67 0.00 0.00 5.44 0.13 -2.00 0.76 132.00 137.00 1s1i h PRO 68 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1s1i h PRO 68 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1s1i h PRO 68 CO 0.55 0.00 -0.13 0.77 -0.23 0.00 0.00 178.00 178.96 1s1i h SER 69 N 0.00 0.00 0.00 1.44 0.02 -2.05 -3.45 113.55 109.51 1s1i h SER 69 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s1i h SER 69 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1s1i h SER 69 CO -0.00 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1s1i n GLY 70 N -0.72 0.62 3.65 -3.77 0.00 0.26 -5.06 105.19 100.18 1s1i n GLY 70 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1s1i n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s1i s HIS 71 N -2.00 3.32 -0.00 1.61 3.76 -1.25 -4.74 115.29 115.98 1s1i s HIS 71 Ca 0.00 0.33 -0.31 0.00 -0.15 0.00 0.00 55.06 54.92 1s1i s HIS 71 Cb 0.00 -2.36 -0.10 0.00 1.11 0.00 0.00 32.58 31.23 1s1i s HIS 71 CO 0.00 0.01 1.95 1.63 -0.85 0.00 0.00 174.74 177.48 1s1i n LYS 72 N 4.46 2.66 -3.89 1.40 4.01 -1.26 -2.32 118.16 123.23 1s1i n LYS 72 Ca -0.13 0.97 -0.30 0.00 -0.51 0.00 0.00 58.31 58.34 1s1i n LYS 72 Cb 0.52 -2.91 -0.15 0.00 -0.51 0.00 0.00 35.03 31.98 1s1i n LYS 72 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1s1i s THR 73 N 4.41 1.68 0.24 -0.18 -4.23 -1.26 -2.23 115.64 114.08 1s1i s THR 73 Ca 0.90 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.25 1s1i s THR 73 Cb -0.51 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1s1i s THR 73 CO 0.45 -0.65 0.54 0.72 -0.54 0.00 0.00 174.62 175.14 1s1i s PHE 74 N 1.13 0.13 0.00 3.99 -0.71 0.58 -4.71 117.98 118.39 1s1i s PHE 74 Ca 0.11 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 1s1i s PHE 74 Cb -0.19 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 1s1i s PHE 74 CO -0.14 -1.03 0.00 1.28 -1.34 0.00 0.00 175.22 173.98 1s1i n LEU 75 N -0.39 0.00 -3.46 -1.99 4.77 -1.26 -4.45 117.00 110.22 1s1i n LEU 75 Ca -0.04 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.12 1s1i n LEU 75 Cb 0.61 -0.56 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1s1i n LEU 75 CO 0.19 -0.11 -0.21 -0.69 -1.33 0.00 0.00 177.39 175.25 1s1i s VAL 76 N -0.16 -0.33 -0.51 4.08 1.01 -0.46 -4.68 120.40 119.35 1s1i s VAL 76 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1s1i s VAL 76 Cb 0.00 -0.86 0.25 0.00 0.00 0.00 0.00 36.38 35.77 1s1i s VAL 76 CO 0.00 -0.39 0.63 0.00 0.00 0.00 0.00 175.10 175.34 1s1i n ALA 77 N 5.31 3.23 0.00 5.51 0.00 -1.26 -2.48 120.51 130.81 1s1i n ALA 77 Ca -0.04 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1s1i n ALA 77 Cb 0.47 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1s1i n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1s1i n ASN 78 N 1.11 0.00 -3.18 0.00 2.85 -1.26 -4.87 115.26 109.92 1s1i n ASN 78 Ca 0.25 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.51 1s1i n ASN 78 Cb 0.47 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.43 1s1i n ASN 78 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1s1i n VAL 79 N 9.00 -0.75 0.00 3.44 0.31 -1.26 -4.53 118.33 124.55 1s1i n VAL 79 Ca 0.00 -3.31 0.00 0.00 -0.01 0.00 0.00 64.34 61.02 1s1i n VAL 79 Cb 0.00 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1s1i n VAL 79 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1s1i n LYS 80 N 2.02 0.00 0.21 5.55 0.00 -1.26 -4.81 118.16 119.88 1s1i n LYS 80 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.59 1s1i n LYS 80 Cb 0.53 0.00 0.47 0.00 0.00 0.00 0.00 35.03 36.03 1s1i n LYS 80 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1s1i h ASP 81 N 0.00 0.00 -3.68 3.14 2.03 -1.89 -3.04 116.42 112.97 1s1i h ASP 81 Ca 0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.62 1s1i h ASP 81 Cb 0.00 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.29 1s1i h ASP 81 CO 0.00 0.28 -0.51 -1.48 -1.03 0.00 0.00 179.24 176.49 1s1i s LEU 82 N -7.91 4.35 0.00 0.15 0.05 -1.26 -4.87 118.68 109.19 1s1i s LEU 82 Ca -0.03 -0.50 0.00 0.00 0.05 0.00 0.00 54.13 53.66 1s1i s LEU 82 Cb 0.14 -2.07 0.00 0.00 -2.05 0.00 0.00 46.19 42.21 1s1i s LEU 82 CO 0.68 -0.23 0.00 -1.84 -0.55 0.00 0.00 176.35 174.42 1s1i n GLU 83 N 5.05 3.47 -2.05 1.48 0.00 -1.15 -4.90 120.64 122.54 1s1i n GLU 83 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.76 1s1i n GLU 83 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.88 1s1i n GLU 83 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1s1i s THR 84 N 3.36 3.46 -0.05 3.84 -1.32 -1.26 -4.86 115.64 118.81 1s1i s THR 84 Ca 0.00 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.07 1s1i s THR 84 Cb 0.00 -4.09 -0.02 0.00 -1.51 0.00 0.00 72.50 66.88 1s1i s THR 84 CO 0.00 -0.95 -0.17 -1.48 -2.21 0.00 0.00 174.62 169.81 1s1i s LEU 85 N 10.25 2.55 -0.12 9.08 2.34 -1.26 -4.97 118.68 136.55 1s1i s LEU 85 Ca 0.70 -0.28 -0.00 0.00 0.06 0.00 0.00 54.13 54.60 1s1i s LEU 85 Cb -0.06 -1.50 -0.02 0.00 -0.56 0.00 0.00 46.19 44.05 1s1i s LEU 85 CO 0.01 0.32 -0.11 0.28 -1.06 0.00 0.00 176.35 175.79 1s1i s THR 86 N -0.57 3.27 -1.05 5.48 -1.32 -1.26 -4.83 115.64 115.36 1s1i s THR 86 Ca 0.08 -0.60 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 1s1i s THR 86 Cb -0.11 -2.37 0.24 0.00 -1.51 0.00 0.00 72.50 68.75 1s1i s THR 86 CO 0.01 0.54 1.08 -0.32 -2.21 0.00 0.00 174.62 173.72 1s1i s MET 87 N 0.06 4.02 0.00 7.08 1.75 0.25 -3.62 119.30 128.84 1s1i s MET 87 Ca -0.04 -2.86 0.00 0.00 -1.25 0.00 0.00 55.69 51.54 1s1i s MET 87 Cb -0.14 -4.63 0.00 0.00 2.84 0.00 0.00 34.83 32.90 1s1i s MET 87 CO 0.04 -1.37 0.00 0.72 -0.65 0.00 0.00 175.02 173.76 1s1i n HIS 88 N 3.68 0.00 -3.00 4.11 8.25 -1.26 -4.69 115.22 122.30 1s1i n HIS 88 Ca 0.24 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.39 1s1i n HIS 88 Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1s1i n HIS 88 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1s1i n THR 89 N -0.98 3.65 -3.64 1.59 -2.24 -1.26 -4.94 114.28 106.47 1s1i n THR 89 Ca 0.00 -5.61 -0.27 0.00 -2.27 0.00 0.00 64.05 55.90 1s1i n THR 89 Cb 0.00 -1.64 -0.01 0.00 -2.10 0.00 0.00 70.33 66.58 1s1i n THR 89 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1s1i n LYS 90 N 0.15 -3.19 -0.08 -0.78 2.85 -1.25 -4.74 118.16 111.11 1s1i n LYS 90 Ca 0.33 0.40 -0.10 0.00 -1.05 0.00 0.00 58.31 57.89 1s1i n LYS 90 Cb 0.37 -5.10 -0.03 0.00 -0.65 0.00 0.00 35.03 29.61 1s1i n LYS 90 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1s1i h THR 91 N -1.08 1.18 -3.21 0.58 2.02 -1.83 -3.35 112.91 107.22 1s1i h THR 91 Ca -0.46 -0.55 -0.53 0.00 0.77 0.00 0.00 66.41 65.63 1s1i h THR 91 Cb 1.31 1.05 -0.40 0.00 -1.74 0.00 0.00 68.15 68.37 1s1i h THR 91 CO 0.60 0.19 -0.76 -0.31 0.37 0.00 0.00 175.52 175.60 1s1i s TYR 92 N -5.51 1.12 -0.34 3.16 1.51 -1.25 -4.92 117.35 111.12 1s1i s TYR 92 Ca -0.13 -1.05 -0.09 0.00 -1.01 0.00 0.00 57.07 54.78 1s1i s TYR 92 Cb 0.08 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1s1i s TYR 92 CO 0.72 -0.69 0.15 0.00 -1.11 0.00 0.00 175.55 174.62 1s1i s ALA 93 N 1.82 3.19 0.45 3.71 0.00 -0.95 -4.04 121.76 125.94 1s1i s ALA 93 Ca 0.02 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.17 1s1i s ALA 93 Cb -0.17 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 1s1i s ALA 93 CO -0.14 -1.17 1.04 0.00 0.00 0.00 0.00 175.76 175.49 1s1i s ALA 94 N 1.53 2.97 -0.03 0.00 0.00 -1.08 -0.31 121.76 124.84 1s1i s ALA 94 Ca 0.02 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 1s1i s ALA 94 Cb -0.18 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1s1i s ALA 94 CO 0.05 -0.27 0.08 -2.00 0.00 0.00 0.00 175.76 173.62 1s1i s GLU 95 N -2.90 0.04 0.07 0.00 2.12 -1.26 -2.22 118.70 114.54 1s1i s GLU 95 Ca 0.63 0.20 -0.23 0.00 0.36 0.00 0.00 54.97 55.93 1s1i s GLU 95 Cb -0.19 -0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.03 1s1i s GLU 95 CO 0.23 -0.10 0.69 -1.50 -0.54 0.00 0.00 175.26 174.04 1s1i s ILE 96 N 0.67 4.69 0.71 -3.70 1.10 -1.26 -1.35 121.20 122.06 1s1i s ILE 96 Ca -0.05 1.47 -0.11 0.00 -0.51 0.00 0.00 60.65 61.44 1s1i s ILE 96 Cb -0.07 -4.03 0.01 0.00 0.15 0.00 0.00 42.46 38.52 1s1i s ILE 96 CO -0.03 0.45 1.07 0.00 -2.11 0.00 0.00 174.94 174.33 1s1i s ALA 97 N -0.55 2.74 0.91 1.50 0.00 -1.04 -4.91 121.76 120.42 1s1i s ALA 97 Ca 0.34 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1s1i s ALA 97 Cb -0.20 -3.09 0.14 0.00 0.00 0.00 0.00 23.12 19.96 1s1i s ALA 97 CO 0.21 -1.20 1.12 -3.38 0.00 0.00 0.00 175.76 172.52 1s1i s HIS 98 N -3.20 2.47 -1.13 0.00 -3.43 -1.26 -3.46 115.29 105.29 1s1i s HIS 98 Ca 0.58 0.93 -0.01 0.00 -0.80 0.00 0.00 55.06 55.76 1s1i s HIS 98 Cb -0.12 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.71 1s1i s HIS 98 CO 0.54 -2.39 0.19 -1.71 -2.00 0.00 0.00 174.74 169.37 1s1i n ASN 99 N -3.80 -4.46 -4.80 7.38 5.15 -1.26 -5.00 115.26 108.47 1s1i n ASN 99 Ca 0.06 -0.10 -0.25 0.00 -0.60 0.00 0.00 54.58 53.69 1s1i n ASN 99 Cb 0.58 -3.48 -0.05 0.00 -0.53 0.00 0.00 39.78 36.30 1s1i n ASN 99 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1s1i s ILE 100 N -2.82 4.45 0.05 -1.44 -0.00 -1.22 -5.05 121.20 115.16 1s1i s ILE 100 Ca 0.10 -1.16 -0.19 0.00 -0.00 0.00 0.00 60.65 59.39 1s1i s ILE 100 Cb -0.04 -3.30 -0.09 0.00 -0.00 0.00 0.00 42.46 39.02 1s1i s ILE 100 CO 0.12 -0.16 1.30 0.28 -0.00 0.00 0.00 174.94 176.48 1s1i h SER 101 N 2.23 -0.76 0.00 4.36 0.02 -1.92 -3.49 113.55 113.98 1s1i h SER 101 Ca -0.48 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1s1i h SER 101 Cb 1.21 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1s1i h SER 101 CO 0.62 -0.36 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 1s1i n ALA 102 N -2.56 0.00 0.14 3.77 0.00 -1.26 -4.93 120.51 115.67 1s1i n ALA 102 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1s1i n ALA 102 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 1s1i n ALA 102 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1s1i h LYS 103 N 0.00 -0.28 -6.22 0.00 -0.00 -1.95 0.76 116.57 108.87 1s1i h LYS 103 Ca 0.00 0.02 -0.55 0.00 -0.00 0.00 0.00 60.65 60.12 1s1i h LYS 103 Cb 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 32.23 32.26 1s1i h LYS 103 CO 0.00 -0.12 1.26 -0.80 -0.00 0.00 0.00 179.45 179.78 1s1i s ASN 104 N -5.01 5.77 0.00 7.07 0.01 -1.26 -0.97 114.94 120.55 1s1i s ASN 104 Ca -0.15 0.84 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 1s1i s ASN 104 Cb 0.04 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1s1i s ASN 104 CO 0.64 -1.89 0.00 0.54 -1.51 0.00 0.00 177.10 174.88 1s1i n ARG 105 N 8.64 0.00 -1.95 -0.60 5.12 -1.25 -4.68 116.66 121.94 1s1i n ARG 105 Ca 0.20 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 1s1i n ARG 105 Cb 0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.78 1s1i n ARG 105 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1s1i n VAL 106 N 0.00 3.40 0.19 1.55 0.31 0.26 -2.24 118.33 121.81 1s1i n VAL 106 Ca 0.00 -3.18 0.00 0.00 -0.01 0.00 0.00 64.34 61.15 1s1i n VAL 106 Cb 0.00 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.44 1s1i n VAL 106 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1s1i n VAL 107 N 5.68 0.00 -3.27 2.52 0.24 -0.29 -4.22 118.33 119.00 1s1i n VAL 107 Ca 0.51 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 62.36 1s1i n VAL 107 Cb 0.42 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1s1i n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s1i n ILE 108 N -3.45 4.54 0.11 1.34 0.00 -0.95 -3.39 119.36 117.57 1s1i n ILE 108 Ca 0.00 -5.29 0.00 0.00 0.00 0.00 0.00 62.75 57.46 1s1i n ILE 108 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 39.64 37.08 1s1i n ILE 108 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1s1i n LEU 109 N 3.11 -1.92 -4.73 9.51 7.99 -1.17 -4.72 117.00 125.07 1s1i n LEU 109 Ca 0.26 0.62 -0.29 0.00 -0.01 0.00 0.00 56.01 56.59 1s1i n LEU 109 Cb 0.39 2.02 0.16 0.00 -0.11 0.00 0.00 43.42 45.89 1s1i n LEU 109 CO 0.50 0.11 0.68 0.00 -1.51 0.00 0.00 177.39 177.17 1s1i s ALA 110 N -1.85 1.32 -0.06 -1.18 0.00 -1.22 -2.54 121.76 116.24 1s1i s ALA 110 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1s1i s ALA 110 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1s1i s ALA 110 CO 0.00 -2.63 0.00 -2.13 0.00 0.00 0.00 175.76 171.00 1s1i n ARG 111 N -4.01 -0.88 -0.06 0.00 3.00 -1.25 -4.53 116.66 108.93 1s1i n ARG 111 Ca 0.06 0.26 -0.03 0.00 -0.00 0.00 0.00 57.85 58.14 1s1i n ARG 111 Cb 0.58 -3.94 0.20 0.00 0.00 0.00 0.00 32.46 29.30 1s1i n ARG 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s1i h ALA 112 N 0.00 1.17 -1.70 5.13 0.00 -1.80 -3.40 119.26 118.65 1s1i h ALA 112 Ca -0.01 -0.26 -0.70 0.00 0.00 0.00 0.00 54.91 53.94 1s1i h ALA 112 Cb 0.46 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1s1i h ALA 112 CO 0.02 0.54 0.97 0.36 0.00 0.00 0.00 179.25 181.14 1s1i n LYS 113 N -4.22 1.50 0.00 0.00 -0.00 -1.26 -3.11 118.16 111.07 1s1i n LYS 113 Ca 0.02 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 1s1i n LYS 113 Cb 0.30 -2.29 0.00 0.00 -0.00 0.00 0.00 35.03 33.05 1s1i n LYS 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i n ALA 114 N 5.84 0.00 -1.77 0.58 0.00 -1.26 -5.04 120.51 118.86 1s1i n ALA 114 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 1s1i n ALA 114 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 1s1i n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s1i n LEU 115 N 0.00 4.72 -4.57 0.00 7.99 -1.18 -4.77 117.00 119.20 1s1i n LEU 115 Ca 0.00 1.22 -0.39 0.00 -0.01 0.00 0.00 56.01 56.83 1s1i n LEU 115 Cb 0.00 -1.62 -0.03 0.00 -0.11 0.00 0.00 43.42 41.66 1s1i n LEU 115 CO 0.00 0.15 1.72 -0.83 -1.51 0.00 0.00 177.39 176.92 1s1i s GLY 116 N -0.08 0.19 -0.06 -0.72 0.00 -1.26 -4.87 107.32 100.52 1s1i s GLY 116 Ca 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 1s1i s GLY 116 CO 0.62 3.61 0.12 -0.26 0.00 0.00 0.00 173.10 177.19 1s1i s ILE 117 N 9.35 -0.07 -0.06 0.90 -0.00 -1.26 0.85 121.20 130.91 1s1i s ILE 117 Ca 0.81 0.21 -0.11 0.00 -0.00 0.00 0.00 60.65 61.55 1s1i s ILE 117 Cb -0.18 -0.21 -0.05 0.00 -0.00 0.00 0.00 42.46 42.03 1s1i s ILE 117 CO 0.26 0.09 0.28 -0.75 -0.00 0.00 0.00 174.94 174.82 1s1i s LYS 118 N 1.26 3.73 -0.00 0.37 2.47 -1.26 -4.32 119.74 121.99 1s1i s LYS 118 Ca -0.08 0.15 0.01 0.00 -1.56 0.00 0.00 55.97 54.49 1s1i s LYS 118 Cb -0.12 -3.22 -0.04 0.00 -1.46 0.00 0.00 37.83 32.99 1s1i s LYS 118 CO -0.05 0.70 0.04 0.54 0.16 0.00 0.00 175.35 176.74 1s1i s VAL 119 N -0.95 4.44 0.00 4.02 0.11 -1.26 -2.63 120.40 124.13 1s1i s VAL 119 Ca 0.19 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1s1i s VAL 119 Cb -0.14 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1s1i s VAL 119 CO 0.09 0.36 0.00 1.07 -3.33 0.00 0.00 175.10 173.28 1s1i n THR 120 N 1.27 0.00 -1.99 5.04 5.66 -0.94 -4.89 114.28 118.42 1s1i n THR 120 Ca -0.14 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.46 1s1i n THR 120 Cb 0.53 -1.80 -0.01 0.00 -1.55 0.00 0.00 70.33 67.50 1s1i n THR 120 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1s1i s ASN 121 N -1.10 6.55 0.00 1.09 4.22 -1.26 -4.81 114.94 119.62 1s1i s ASN 121 Ca 0.00 2.82 0.28 0.00 -2.14 0.00 0.00 52.86 53.82 1s1i s ASN 121 Cb 0.00 -2.65 1.15 0.00 1.28 0.00 0.00 41.25 41.03 1s1i s ASN 121 CO 0.00 -0.70 1.80 -0.81 -2.04 0.00 0.00 177.10 175.35