#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ns1 s ALA 3 N 0.00 1.27 0.54 1.79 0.00 -1.26 -5.15 121.76 118.95 3ns1 s ALA 3 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 3ns1 s ALA 3 Cb 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 3ns1 s ALA 3 CO 0.00 0.21 1.06 -0.51 0.00 0.00 0.00 175.76 176.52 3ns1 s ASP 4 N 0.17 6.01 0.22 0.00 1.01 -1.26 -5.04 116.67 117.78 3ns1 s ASP 4 Ca -0.05 1.91 -0.30 0.00 0.71 0.00 0.00 52.55 54.82 3ns1 s ASP 4 Cb -0.11 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 3ns1 s ASP 4 CO 0.02 -1.01 0.96 -1.61 0.21 0.00 0.00 175.17 173.74 3ns1 s GLU 5 N -3.62 4.81 -0.15 8.23 2.02 -1.26 -4.81 118.70 123.91 3ns1 s GLU 5 Ca 0.66 1.52 -0.15 0.00 0.02 0.00 0.00 54.97 57.02 3ns1 s GLU 5 Cb -0.17 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 3ns1 s GLU 5 CO 0.28 0.44 0.36 -1.17 0.02 0.00 0.00 175.26 175.20 3ns1 s LEU 6 N -1.02 4.24 -0.14 1.80 2.96 -0.06 -4.95 118.68 121.52 3ns1 s LEU 6 Ca 0.42 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 3ns1 s LEU 6 Cb -0.26 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3ns1 s LEU 6 CO 0.33 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.58 3ns1 s VAL 7 N 0.64 1.43 0.33 1.68 1.01 -1.26 0.89 120.40 125.12 3ns1 s VAL 7 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3ns1 s VAL 7 Cb -0.14 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3ns1 s VAL 7 CO 0.06 0.43 0.39 0.72 0.00 0.00 0.00 175.10 176.71 3ns1 s PHE 8 N 1.49 1.31 -0.04 5.22 -0.12 -0.72 -1.02 117.98 124.10 3ns1 s PHE 8 Ca 0.04 -1.42 0.05 0.00 -0.05 0.00 0.00 56.93 55.54 3ns1 s PHE 8 Cb -0.13 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 3ns1 s PHE 8 CO -0.09 -1.02 -0.18 -0.06 -0.05 0.00 0.00 175.22 173.82 3ns1 s PHE 9 N -3.26 1.78 -0.16 3.49 0.40 -0.78 -1.00 117.98 118.46 3ns1 s PHE 9 Ca 0.34 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 3ns1 s PHE 9 Cb 0.01 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.40 3ns1 s PHE 9 CO 0.22 -0.13 -0.08 0.08 0.70 0.00 0.00 175.22 176.01 3ns1 s VAL 10 N -0.13 1.30 -1.44 -0.44 1.01 -0.64 0.32 120.40 120.39 3ns1 s VAL 10 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3ns1 s VAL 10 Cb -0.10 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.93 3ns1 s VAL 10 CO 0.01 0.23 0.71 0.59 0.00 0.00 0.00 175.10 176.64 3ns1 n ASN 11 N 4.82 -2.16 -0.03 3.32 3.02 0.10 -2.53 115.26 121.80 3ns1 n ASN 11 Ca -0.13 -0.88 -0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3ns1 n ASN 11 Cb 0.48 -3.61 -0.00 0.00 -0.61 0.00 0.00 39.78 36.04 3ns1 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ns1 n GLY 12 N -1.70 0.45 3.23 7.41 0.00 -1.26 -5.02 105.19 108.30 3ns1 n GLY 12 Ca -0.17 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 3ns1 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ns1 s LYS 13 N -0.55 1.56 0.06 1.61 2.20 -1.05 -5.12 119.74 118.45 3ns1 s LYS 13 Ca 0.00 -0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 54.53 3ns1 s LYS 13 Cb 0.00 -1.57 -0.05 0.00 -1.51 0.00 0.00 37.83 34.70 3ns1 s LYS 13 CO 0.00 0.42 0.85 0.21 -0.36 0.00 0.00 175.35 176.47 3ns1 s LYS 14 N -0.74 4.57 -0.19 4.03 2.20 -1.26 -1.62 119.74 126.73 3ns1 s LYS 14 Ca 0.08 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 3ns1 s LYS 14 Cb -0.08 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 3ns1 s LYS 14 CO 0.00 0.21 -0.16 0.08 -0.36 0.00 0.00 175.35 175.12 3ns1 s VAL 15 N 0.12 2.35 -0.45 4.02 1.01 -0.17 -4.97 120.40 122.31 3ns1 s VAL 15 Ca 0.43 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 3ns1 s VAL 15 Cb -0.21 -2.03 0.12 0.00 0.00 0.00 0.00 36.38 34.26 3ns1 s VAL 15 CO 0.25 0.48 0.27 -0.69 0.00 0.00 0.00 175.10 175.42 3ns1 s VAL 16 N 1.32 3.60 -0.37 2.92 1.01 -1.26 -1.75 120.40 125.87 3ns1 s VAL 16 Ca 0.04 -2.05 -0.18 0.00 0.00 0.00 0.00 61.98 59.79 3ns1 s VAL 16 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3ns1 s VAL 16 CO -0.11 -0.73 0.51 -0.70 0.00 0.00 0.00 175.10 174.08 3ns1 s GLU 17 N 1.10 3.51 0.09 2.72 2.56 0.26 -4.93 118.70 124.01 3ns1 s GLU 17 Ca 0.08 -0.27 0.13 0.00 0.00 0.00 0.00 54.97 54.91 3ns1 s GLU 17 Cb -0.23 -3.84 -0.14 0.00 2.00 0.00 0.00 34.13 31.91 3ns1 s GLU 17 CO -0.03 -0.71 1.03 0.87 -0.56 0.00 0.00 175.26 175.86 3ns1 h LYS 18 N 8.54 0.00 -1.77 4.30 1.57 -1.91 -0.11 116.57 127.19 3ns1 h LYS 18 Ca -0.27 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.96 3ns1 h LYS 18 Cb 1.12 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.01 3ns1 h LYS 18 CO 0.79 0.58 -0.81 0.09 -0.57 0.00 0.00 179.45 179.53 3ns1 n ASN 19 N -3.13 3.79 -4.68 0.86 3.02 -1.26 -4.67 115.26 109.20 3ns1 n ASN 19 Ca -0.07 -3.50 -0.45 0.00 -0.03 0.00 0.00 54.58 50.54 3ns1 n ASN 19 Cb 0.91 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3ns1 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ns1 n ALA 20 N -0.26 1.43 -2.75 5.41 0.00 -1.26 -4.99 120.51 118.08 3ns1 n ALA 20 Ca 0.31 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.81 3ns1 n ALA 20 Cb 0.59 -2.33 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 3ns1 n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ns1 s ASP 21 N 0.55 6.00 0.65 0.00 -1.08 -1.26 -5.00 116.67 116.52 3ns1 s ASP 21 Ca 0.71 0.15 0.43 0.00 -0.52 0.00 0.00 52.55 53.32 3ns1 s ASP 21 Cb -0.64 -2.05 2.30 0.00 -1.46 0.00 0.00 42.92 41.07 3ns1 s ASP 21 CO 0.45 0.15 2.32 -0.65 0.52 0.00 0.00 175.17 177.95 3ns1 h PRO 22 N 6.91 0.00 0.00 4.34 0.11 -2.02 -1.00 132.00 140.34 3ns1 h PRO 22 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ns1 h PRO 22 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ns1 h PRO 22 CO 0.72 0.00 -0.04 0.39 -0.21 0.00 0.00 178.00 178.85 3ns1 n GLU 23 N -3.06 0.25 -2.25 1.05 1.02 -1.26 -4.82 120.64 111.58 3ns1 n GLU 23 Ca -0.03 0.20 -0.43 0.00 -0.02 0.00 0.00 57.16 56.89 3ns1 n GLU 23 Cb 0.09 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.71 3ns1 n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ns1 s THR 24 N -3.10 3.97 0.72 2.62 2.01 -0.38 -5.01 115.64 116.46 3ns1 s THR 24 Ca 0.11 1.15 -0.11 0.00 0.31 0.00 0.00 61.69 63.14 3ns1 s THR 24 Cb 0.13 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3ns1 s THR 24 CO 0.60 -0.18 1.07 0.42 -0.69 0.00 0.00 174.62 175.84 3ns1 s THR 25 N 4.06 3.82 0.18 -0.82 -4.23 -1.26 -2.06 115.64 115.33 3ns1 s THR 25 Ca 0.63 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.66 3ns1 s THR 25 Cb -0.25 -3.29 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 3ns1 s THR 25 CO 0.22 -0.77 1.55 0.25 -0.54 0.00 0.00 174.62 175.32 3ns1 h LEU 26 N -0.82 0.85 0.04 4.79 5.85 -0.86 -2.66 115.31 122.49 3ns1 h LEU 26 Ca -0.44 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 57.94 3ns1 h LEU 26 Cb 1.22 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3ns1 h LEU 26 CO 0.56 1.11 -0.22 0.25 -0.34 0.00 0.00 178.44 179.80 3ns1 h LEU 27 N 0.67 -0.64 -1.79 2.25 5.85 -1.60 0.10 115.31 120.15 3ns1 h LEU 27 Ca 0.07 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3ns1 h LEU 27 Cb 0.90 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3ns1 h LEU 27 CO 0.08 -0.29 0.23 0.00 -0.34 0.00 0.00 178.44 178.11 3ns1 h ALA 28 N 0.47 1.98 0.03 1.25 0.00 -1.84 -2.32 119.26 118.84 3ns1 h ALA 28 Ca 0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3ns1 h ALA 28 Cb 0.43 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ns1 h ALA 28 CO -0.17 -0.04 -0.69 -0.92 0.00 0.00 0.00 179.25 177.43 3ns1 h TYR 29 N 0.26 0.64 -0.12 0.00 3.20 -0.85 -0.67 116.97 119.43 3ns1 h TYR 29 Ca 0.14 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3ns1 h TYR 29 Cb 0.24 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3ns1 h TYR 29 CO -0.00 1.20 0.08 -0.07 -1.64 0.00 0.00 178.16 177.73 3ns1 h LEU 30 N -0.11 0.13 0.19 2.82 3.38 -0.94 -0.95 115.31 119.83 3ns1 h LEU 30 Ca -0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3ns1 h LEU 30 Cb 1.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ns1 h LEU 30 CO 0.13 0.10 -0.09 0.03 0.09 0.00 0.00 178.44 178.70 3ns1 h ARG 31 N 0.16 -0.25 0.00 1.13 3.08 -1.48 -0.36 114.38 116.65 3ns1 h ARG 31 Ca 0.04 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3ns1 h ARG 31 Cb -0.02 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3ns1 h ARG 31 CO -0.01 0.16 -2.03 0.54 -1.07 0.00 0.00 179.97 177.56 3ns1 n ARG 32 N -4.98 0.66 -0.11 0.04 1.74 -0.26 -3.00 116.66 110.75 3ns1 n ARG 32 Ca -0.08 -0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 56.69 3ns1 n ARG 32 Cb 0.26 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 3ns1 n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3ns1 n LYS 33 N -2.44 0.66 0.00 5.56 0.00 -0.83 -4.67 118.16 116.45 3ns1 n LYS 33 Ca -0.12 0.18 0.10 0.00 0.00 0.00 0.00 58.31 58.47 3ns1 n LYS 33 Cb 0.74 -1.55 -0.05 0.00 0.00 0.00 0.00 35.03 34.17 3ns1 n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3ns1 n LEU 34 N -3.36 1.47 -0.78 3.14 4.77 -0.42 -5.00 117.00 116.82 3ns1 n LEU 34 Ca -0.45 -0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 54.79 3ns1 n LEU 34 Cb 0.99 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.04 3ns1 n LEU 34 CO 0.27 0.30 -0.10 0.61 -1.33 0.00 0.00 177.39 177.14 3ns1 n GLY 35 N 1.40 1.10 3.32 -0.72 0.00 -0.93 -4.99 105.19 104.37 3ns1 n GLY 35 Ca 0.06 -0.57 -0.46 0.00 0.00 0.00 0.00 46.02 45.05 3ns1 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ns1 s LEU 36 N -2.29 6.27 -0.03 0.99 1.43 -0.19 -4.94 118.68 119.91 3ns1 s LEU 36 Ca 0.00 -2.00 0.17 0.00 -1.03 0.00 0.00 54.13 51.27 3ns1 s LEU 36 Cb 0.00 -2.22 0.54 0.00 0.03 0.00 0.00 46.19 44.54 3ns1 s LEU 36 CO 0.00 -0.81 1.44 0.54 0.23 0.00 0.00 176.35 177.76 3ns1 n ARG 37 N 5.01 2.64 -0.27 1.70 1.74 -1.26 -3.95 116.66 122.28 3ns1 n ARG 37 Ca -0.06 -2.18 0.03 0.00 -0.77 0.00 0.00 57.85 54.87 3ns1 n ARG 37 Cb 0.42 -1.56 0.17 0.00 -1.02 0.00 0.00 32.46 30.46 3ns1 n ARG 37 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ns1 h GLY 38 N 4.64 1.18 -4.47 -0.13 0.00 -1.96 -3.41 103.07 98.91 3ns1 h GLY 38 Ca 0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 47.33 46.55 3ns1 h GLY 38 CO 0.06 0.03 0.43 -1.59 0.00 0.00 0.00 176.54 175.48 3ns1 s THR 39 N -6.03 4.73 0.16 4.70 2.01 -1.26 -4.80 115.64 115.14 3ns1 s THR 39 Ca -0.12 1.96 0.08 0.00 0.31 0.00 0.00 61.69 63.92 3ns1 s THR 39 Cb 0.19 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3ns1 s THR 39 CO 0.77 0.13 -0.08 -0.54 -0.69 0.00 0.00 174.62 174.21 3ns1 s LYS 40 N 1.19 2.13 -0.34 4.92 -0.14 -1.03 -4.92 119.74 121.55 3ns1 s LYS 40 Ca 0.53 -1.19 -0.17 0.00 -1.36 0.00 0.00 55.97 53.77 3ns1 s LYS 40 Cb -0.22 -2.22 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 3ns1 s LYS 40 CO 0.27 0.45 0.47 -1.17 -0.76 0.00 0.00 175.35 174.61 3ns1 s LEU 41 N -2.72 4.34 -0.11 3.17 2.96 -1.26 -3.05 118.68 122.01 3ns1 s LEU 41 Ca 0.25 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3ns1 s LEU 41 Cb -0.09 -2.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.97 3ns1 s LEU 41 CO 0.15 -0.43 -0.05 0.61 -1.32 0.00 0.00 176.35 175.32 3ns1 n GLY 42 N 4.81 -0.31 0.00 7.98 0.00 -1.26 -4.99 105.19 111.42 3ns1 n GLY 42 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ns1 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 n GLY 44 N -0.08 0.98 0.07 0.00 0.00 -1.26 -4.84 105.19 100.06 3ns1 n GLY 44 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3ns1 n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ns1 n GLU 45 N -2.03 1.62 -0.48 1.61 0.28 -1.26 -4.83 120.64 115.56 3ns1 n GLU 45 Ca 0.00 -1.43 0.00 0.00 -0.16 0.00 0.00 57.16 55.57 3ns1 n GLU 45 Cb 0.00 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 31.94 3ns1 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ns1 n GLY 46 N -0.52 0.74 0.07 -1.84 0.00 -1.26 -4.96 105.19 97.42 3ns1 n GLY 46 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3ns1 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 47 N -2.06 -1.33 0.03 -0.02 0.00 -1.26 -4.68 105.19 95.86 3ns1 n GLY 47 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 3ns1 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 n GLY 49 N 2.11 0.92 0.34 0.00 0.00 -0.97 -1.06 105.19 106.53 3ns1 n GLY 49 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3ns1 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 h ALA 50 N 0.00 1.48 -0.36 4.61 0.00 -1.85 -0.81 119.26 122.32 3ns1 h ALA 50 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ns1 h ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ns1 h ALA 50 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3ns1 s THR 52 N -2.31 2.77 0.36 0.00 2.01 -0.31 -2.27 115.64 115.88 3ns1 s THR 52 Ca 0.41 0.56 0.04 0.00 0.31 0.00 0.00 61.69 63.01 3ns1 s THR 52 Cb 0.30 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 3ns1 s THR 52 CO 0.13 0.05 0.06 0.68 -0.69 0.00 0.00 174.62 174.85 3ns1 s VAL 53 N 0.95 1.23 -0.15 3.82 -7.23 -0.30 -4.72 120.40 114.00 3ns1 s VAL 53 Ca 0.67 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 3ns1 s VAL 53 Cb -0.42 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 3ns1 s VAL 53 CO 0.33 0.00 0.06 -0.32 -0.31 0.00 0.00 175.10 174.86 3ns1 s MET 54 N -3.84 3.69 -0.08 4.82 1.75 -0.70 -1.54 119.30 123.39 3ns1 s MET 54 Ca 0.33 -0.33 -0.01 0.00 -1.25 0.00 0.00 55.69 54.43 3ns1 s MET 54 Cb 0.08 -3.12 -0.03 0.00 2.84 0.00 0.00 34.83 34.60 3ns1 s MET 54 CO 0.15 0.44 -0.00 -0.51 -0.65 0.00 0.00 175.02 174.44 3ns1 s LEU 55 N -0.10 3.54 -0.05 4.11 1.43 0.15 -1.35 118.68 126.40 3ns1 s LEU 55 Ca 0.07 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3ns1 s LEU 55 Cb -0.12 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3ns1 s LEU 55 CO 0.01 0.38 -0.15 -0.44 0.23 0.00 0.00 176.35 176.38 3ns1 s SER 56 N -0.89 1.95 0.06 2.29 0.01 0.60 -1.30 113.70 116.41 3ns1 s SER 56 Ca 0.13 -0.32 -0.08 0.00 1.31 0.00 0.00 55.95 56.99 3ns1 s SER 56 Cb -0.11 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.46 3ns1 s SER 56 CO 0.02 0.11 0.16 -1.59 0.41 0.00 0.00 173.24 172.35 3ns1 s LYS 57 N 0.24 0.74 -0.26 12.44 -2.85 -0.91 -1.26 119.74 127.88 3ns1 s LYS 57 Ca -0.07 -0.85 -0.26 0.00 -1.00 0.00 0.00 55.97 53.79 3ns1 s LYS 57 Cb -0.12 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 3ns1 s LYS 57 CO 0.03 -0.21 0.90 -0.47 0.10 0.00 0.00 175.35 175.69 3ns1 s TYR 58 N -3.26 3.28 -0.71 1.78 5.04 -1.26 -0.77 117.35 121.45 3ns1 s TYR 58 Ca 0.00 1.16 -0.24 0.00 -2.44 0.00 0.00 57.07 55.55 3ns1 s TYR 58 Cb 0.02 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.19 3ns1 s TYR 58 CO -0.08 -0.49 1.11 0.34 -1.34 0.00 0.00 175.55 175.09 3ns1 s ASP 59 N 1.39 6.19 0.39 4.32 -1.08 0.96 -4.91 116.67 123.93 3ns1 s ASP 59 Ca 0.38 -0.81 0.23 0.00 -0.52 0.00 0.00 52.55 51.82 3ns1 s ASP 59 Cb -0.15 -2.48 1.27 0.00 -1.46 0.00 0.00 42.92 40.11 3ns1 s ASP 59 CO 0.09 -1.60 1.65 0.03 0.52 0.00 0.00 175.17 175.86 3ns1 h ARG 60 N 9.74 0.18 0.00 4.34 2.47 -1.94 -0.60 114.38 128.57 3ns1 h ARG 60 Ca -0.26 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 3ns1 h ARG 60 Cb 1.06 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 3ns1 h ARG 60 CO 1.23 0.12 0.00 -0.11 0.56 0.00 0.00 179.97 181.77 3ns1 n LEU 61 N -4.88 1.25 -0.57 3.04 7.94 -1.26 -4.38 117.00 118.14 3ns1 n LEU 61 Ca 0.34 0.21 0.45 0.00 -1.11 0.00 0.00 56.01 55.90 3ns1 n LEU 61 Cb 1.21 0.00 0.72 0.00 0.53 0.00 0.00 43.42 45.87 3ns1 n LEU 61 CO 0.15 0.00 1.29 0.00 -1.11 0.00 0.00 177.39 177.72 3ns1 n GLN 62 N -0.42 -0.02 0.00 1.96 6.02 -1.05 -4.79 117.38 119.08 3ns1 n GLN 62 Ca 0.00 1.12 0.00 0.00 -0.01 0.00 0.00 57.00 58.11 3ns1 n GLN 62 Cb 0.00 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 28.88 3ns1 n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ns1 n ASP 63 N -4.22 0.00 -4.95 1.08 -0.08 -0.26 -5.06 116.55 103.05 3ns1 n ASP 63 Ca 0.41 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.45 3ns1 n ASP 63 Cb 1.72 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 45.18 3ns1 n ASP 63 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 3ns1 s LYS 64 N -0.34 3.30 0.06 -0.67 2.20 -1.26 -4.82 119.74 118.21 3ns1 s LYS 64 Ca 0.00 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 3ns1 s LYS 64 Cb 0.00 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 3ns1 s LYS 64 CO 0.00 -0.03 1.14 0.42 -0.36 0.00 0.00 175.35 176.52 3ns1 s ILE 65 N -2.41 4.22 0.04 5.43 1.01 -1.26 -0.03 121.20 128.19 3ns1 s ILE 65 Ca 0.44 1.62 0.07 0.00 0.00 0.00 0.00 60.65 62.77 3ns1 s ILE 65 Cb -0.10 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3ns1 s ILE 65 CO 0.37 0.14 -0.16 0.27 0.00 0.00 0.00 174.94 175.56 3ns1 s ILE 66 N 0.90 2.92 -0.15 2.92 -4.36 0.05 -4.95 121.20 118.54 3ns1 s ILE 66 Ca 0.56 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.83 3ns1 s ILE 66 Cb -0.27 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.22 3ns1 s ILE 66 CO 0.30 0.34 -0.17 -1.00 0.24 0.00 0.00 174.94 174.64 3ns1 s HIS 67 N -0.94 2.38 0.02 1.37 3.76 -1.26 -2.13 115.29 118.49 3ns1 s HIS 67 Ca 0.15 -1.31 -0.01 0.00 -0.15 0.00 0.00 55.06 53.74 3ns1 s HIS 67 Cb -0.11 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 3ns1 s HIS 67 CO 0.06 -0.67 -0.00 -0.59 -0.85 0.00 0.00 174.74 172.68 3ns1 s PHE 68 N 1.27 0.27 0.53 1.40 -0.12 -0.42 -4.87 117.98 116.04 3ns1 s PHE 68 Ca 0.02 -0.56 -0.10 0.00 -0.05 0.00 0.00 56.93 56.24 3ns1 s PHE 68 Cb -0.14 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.01 3ns1 s PHE 68 CO -0.09 -0.24 0.91 -1.54 -0.05 0.00 0.00 175.22 174.21 3ns1 s SER 69 N -1.70 6.33 0.07 1.98 1.04 -1.26 0.31 113.70 120.47 3ns1 s SER 69 Ca -0.12 1.23 -0.26 0.00 0.48 0.00 0.00 55.95 57.28 3ns1 s SER 69 Cb -0.07 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 63.75 3ns1 s SER 69 CO -0.02 -0.67 0.65 0.00 0.98 0.00 0.00 173.24 174.17 3ns1 s ALA 70 N -2.86 -1.67 -0.55 5.32 0.00 -0.59 -4.84 121.76 116.58 3ns1 s ALA 70 Ca 0.52 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 3ns1 s ALA 70 Cb -0.11 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.58 3ns1 s ALA 70 CO 0.45 -0.62 1.01 -0.80 0.00 0.00 0.00 175.76 175.80 3ns1 s ASN 71 N -2.16 6.39 0.53 0.00 0.01 -1.26 -1.15 114.94 117.29 3ns1 s ASN 71 Ca -0.03 -0.17 0.25 0.00 -0.71 0.00 0.00 52.86 52.20 3ns1 s ASN 71 Cb -0.01 -2.47 1.39 0.00 0.41 0.00 0.00 41.25 40.58 3ns1 s ASN 71 CO -0.05 -1.28 2.01 0.00 -1.51 0.00 0.00 177.10 176.28 3ns1 h ALA 72 N 9.35 2.44 0.00 0.60 0.00 -1.81 -2.25 119.26 127.59 3ns1 h ALA 72 Ca -0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3ns1 h ALA 72 Cb 1.07 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ns1 h ALA 72 CO 1.11 -0.60 -0.08 0.00 0.00 0.00 0.00 179.25 179.68 3ns1 n LEU 74 N -3.32 0.25 -4.64 0.00 4.77 -0.87 -4.85 117.00 108.33 3ns1 n LEU 74 Ca -0.01 -0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.29 3ns1 n LEU 74 Cb 0.27 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3ns1 n LEU 74 CO 0.28 0.06 1.10 0.00 -1.33 0.00 0.00 177.39 177.51 3ns1 s ALA 75 N -2.39 3.50 0.23 -1.18 0.00 -1.04 -4.95 121.76 115.93 3ns1 s ALA 75 Ca -0.00 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3ns1 s ALA 75 Cb 0.08 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 3ns1 s ALA 75 CO 0.45 -1.50 1.17 -2.14 0.00 0.00 0.00 175.76 173.74 3ns1 s PRO 76 N 3.85 4.54 0.50 0.00 0.02 -1.26 -0.97 135.00 141.69 3ns1 s PRO 76 Ca 0.55 1.87 0.23 0.00 0.02 0.00 0.00 61.00 63.67 3ns1 s PRO 76 Cb -0.19 -3.21 1.31 0.00 0.02 0.00 0.00 34.50 32.43 3ns1 s PRO 76 CO 0.19 0.02 1.97 -0.84 -0.33 0.00 0.00 177.00 178.01 3ns1 h ILE 77 N 3.46 0.74 0.00 2.83 3.07 -1.68 -2.26 117.51 123.68 3ns1 h ILE 77 Ca -0.46 -0.04 -0.01 0.00 1.55 0.00 0.00 64.86 65.91 3ns1 h ILE 77 Cb 1.21 0.62 -0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3ns1 h ILE 77 CO 0.71 0.02 -0.02 0.00 -1.05 0.00 0.00 178.15 177.80 3ns1 n THR 79 N -3.54 0.00 -0.24 0.00 -2.24 -0.85 -4.42 114.28 102.99 3ns1 n THR 79 Ca -0.03 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 3ns1 n THR 79 Cb 0.12 -0.46 0.19 0.00 -2.10 0.00 0.00 70.33 68.09 3ns1 n THR 79 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ns1 n LEU 80 N -0.92 3.18 -4.70 3.22 4.77 0.12 -4.93 117.00 117.75 3ns1 n LEU 80 Ca 0.19 -2.03 -0.43 0.00 -0.03 0.00 0.00 56.01 53.70 3ns1 n LEU 80 Cb 0.09 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3ns1 n LEU 80 CO 0.14 0.78 1.39 1.57 -1.33 0.00 0.00 177.39 179.95 3ns1 n HIS 81 N 0.72 2.59 -2.24 -1.77 -0.00 -1.26 -0.74 115.22 112.52 3ns1 n HIS 81 Ca 0.15 -0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.14 3ns1 n HIS 81 Cb 0.48 -2.68 -0.02 0.00 -0.12 0.00 0.00 29.99 27.66 3ns1 n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3ns1 n HIS 82 N 4.74 -0.94 -4.06 1.57 8.25 -0.19 -5.02 115.22 119.58 3ns1 n HIS 82 Ca 0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 3ns1 n HIS 82 Cb 0.34 -3.51 -0.07 0.00 1.12 0.00 0.00 29.99 27.87 3ns1 n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ns1 s VAL 83 N -2.84 4.91 -0.24 1.59 1.01 0.08 -4.76 120.40 120.15 3ns1 s VAL 83 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 3ns1 s VAL 83 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3ns1 s VAL 83 CO 0.00 0.40 0.14 0.00 0.00 0.00 0.00 175.10 175.64 3ns1 s ALA 84 N -1.17 3.48 -0.20 5.51 0.00 -0.39 -1.86 121.76 127.13 3ns1 s ALA 84 Ca 0.22 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 3ns1 s ALA 84 Cb -0.12 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 3ns1 s ALA 84 CO 0.13 -0.29 0.14 0.08 0.00 0.00 0.00 175.76 175.81 3ns1 s VAL 85 N 1.25 5.41 -0.17 0.00 1.01 0.15 -0.29 120.40 127.76 3ns1 s VAL 85 Ca 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3ns1 s VAL 85 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3ns1 s VAL 85 CO 0.06 0.44 -0.09 -0.89 0.00 0.00 0.00 175.10 174.61 3ns1 s THR 86 N 0.37 3.18 0.52 3.92 2.01 -0.46 0.01 115.64 125.18 3ns1 s THR 86 Ca 0.08 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.55 3ns1 s THR 86 Cb -0.11 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.04 3ns1 s THR 86 CO -0.02 0.49 0.34 0.42 -0.69 0.00 0.00 174.62 175.16 3ns1 s THR 87 N 0.82 1.74 0.34 -0.82 -4.23 -1.26 -1.72 115.64 110.51 3ns1 s THR 87 Ca -0.03 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3ns1 s THR 87 Cb -0.15 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.67 3ns1 s THR 87 CO 0.01 0.00 1.98 1.62 -0.54 0.00 0.00 174.62 177.69 3ns1 h VAL 88 N 0.90 1.12 0.00 2.29 3.04 -1.90 -0.16 116.25 121.54 3ns1 h VAL 88 Ca -0.38 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3ns1 h VAL 88 Cb 1.30 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3ns1 h VAL 88 CO 0.60 0.16 0.00 -1.84 -1.01 0.00 0.00 177.57 175.48 3ns1 n GLU 89 N -4.45 0.20 0.15 4.17 0.00 -1.26 -2.67 120.64 116.78 3ns1 n GLU 89 Ca 0.09 0.43 0.13 0.00 0.00 0.00 0.00 57.16 57.81 3ns1 n GLU 89 Cb 0.10 -1.88 0.32 0.00 0.00 0.00 0.00 31.44 29.98 3ns1 n GLU 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3ns1 h GLY 90 N 2.20 0.00 -0.00 -1.84 0.00 -1.40 -3.35 103.07 98.67 3ns1 h GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ns1 h GLY 90 CO 0.00 0.00 -0.82 0.29 0.00 0.00 0.00 176.54 176.01 3ns1 n ILE 91 N -2.59 0.00 0.00 2.60 -5.35 -1.09 -4.97 119.36 107.96 3ns1 n ILE 91 Ca 0.05 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3ns1 n ILE 91 Cb 0.46 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3ns1 n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ns1 n GLY 92 N 1.41 3.00 3.43 3.28 0.00 -1.26 -4.08 105.19 110.98 3ns1 n GLY 92 Ca 0.03 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 3ns1 n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ns1 s SER 93 N 0.00 -0.52 0.18 1.61 0.15 -0.92 -4.70 113.70 109.50 3ns1 s SER 93 Ca 0.00 0.52 0.20 0.00 0.70 0.00 0.00 55.95 57.36 3ns1 s SER 93 Cb 0.00 0.47 0.85 0.00 -1.71 0.00 0.00 66.02 65.63 3ns1 s SER 93 CO 0.00 -0.57 1.60 0.35 1.20 0.00 0.00 173.24 175.82 3ns1 n THR 94 N 0.99 0.95 0.13 6.45 -2.24 -1.26 -1.81 114.28 117.48 3ns1 n THR 94 Ca -0.20 0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3ns1 n THR 94 Cb 0.57 -1.18 0.03 0.00 -2.10 0.00 0.00 70.33 67.65 3ns1 n THR 94 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ns1 h LYS 95 N 0.00 0.00 0.00 -0.78 1.57 -2.04 -3.44 116.57 111.88 3ns1 h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ns1 h LYS 95 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ns1 h LYS 95 CO 0.00 0.25 0.00 0.25 -0.57 0.00 0.00 179.45 179.38 3ns1 n THR 96 N -3.02 0.00 -3.69 -0.16 -2.24 -1.09 -5.14 114.28 98.94 3ns1 n THR 96 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3ns1 n THR 96 Cb 0.68 -0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 3ns1 n THR 96 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ns1 s ARG 97 N 0.00 0.62 0.32 -0.78 3.52 -0.75 -4.95 118.95 116.93 3ns1 s ARG 97 Ca 0.00 0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 56.03 3ns1 s ARG 97 Cb 0.00 0.30 -0.09 0.00 -1.56 0.00 0.00 34.95 33.60 3ns1 s ARG 97 CO 0.00 -0.08 1.09 -0.51 -0.81 0.00 0.00 175.30 174.99 3ns1 s LEU 98 N 0.23 4.43 0.47 -0.88 1.43 -1.19 -2.17 118.68 121.00 3ns1 s LEU 98 Ca -0.00 2.20 -0.22 0.00 -1.03 0.00 0.00 54.13 55.08 3ns1 s LEU 98 Cb -0.04 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 3ns1 s LEU 98 CO 0.01 -0.26 1.14 -2.28 0.23 0.00 0.00 176.35 175.19 3ns1 s HIS 99 N -1.31 2.88 0.42 0.29 5.65 -1.26 -4.78 115.29 117.18 3ns1 s HIS 99 Ca 0.49 1.55 0.19 0.00 0.25 0.00 0.00 55.06 57.54 3ns1 s HIS 99 Cb -0.29 -3.31 1.12 0.00 -1.18 0.00 0.00 32.58 28.92 3ns1 s HIS 99 CO 0.37 -1.38 1.81 -1.35 -0.65 0.00 0.00 174.74 173.54 3ns1 h PRO 100 N 1.86 0.37 -0.32 2.88 0.11 -1.96 0.19 132.00 135.12 3ns1 h PRO 100 Ca -0.49 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.65 3ns1 h PRO 100 Cb 1.25 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3ns1 h PRO 100 CO 0.60 0.24 0.03 0.28 -0.21 0.00 0.00 178.00 178.94 3ns1 h VAL 101 N 0.38 0.80 -0.02 3.15 2.07 -1.96 -0.27 116.25 120.40 3ns1 h VAL 101 Ca 0.54 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 68.01 3ns1 h VAL 101 Cb 1.40 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3ns1 h VAL 101 CO -0.22 0.03 0.01 1.56 0.02 0.00 0.00 177.57 178.96 3ns1 h GLN 102 N 0.14 0.03 -0.29 1.57 4.20 -1.38 -2.91 115.11 116.45 3ns1 h GLN 102 Ca 0.15 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.93 3ns1 h GLN 102 Cb 0.19 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 3ns1 h GLN 102 CO -0.23 0.18 -0.18 1.49 -0.67 0.00 0.00 178.83 179.42 3ns1 h GLU 103 N -0.13 -0.15 -0.43 1.46 4.81 -0.94 -2.53 114.58 116.68 3ns1 h GLU 103 Ca 0.01 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 3ns1 h GLU 103 Cb 0.16 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3ns1 h GLU 103 CO -0.00 -0.10 -0.26 0.00 -0.73 0.00 0.00 179.01 177.92 3ns1 h ARG 104 N -0.15 0.93 -0.51 1.92 2.47 -0.98 -1.73 114.38 116.33 3ns1 h ARG 104 Ca 0.16 -0.43 -0.02 0.00 -1.26 0.00 0.00 59.98 58.42 3ns1 h ARG 104 Cb 0.39 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 3ns1 h ARG 104 CO -0.39 1.09 0.22 0.97 0.56 0.00 0.00 179.97 182.42 3ns1 h ILE 105 N 0.76 1.20 0.32 2.04 2.10 -1.49 -1.85 117.51 120.59 3ns1 h ILE 105 Ca 0.09 -0.61 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 3ns1 h ILE 105 Cb 0.84 0.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 3ns1 h ILE 105 CO 0.07 0.23 -0.24 0.00 -1.08 0.00 0.00 178.15 177.13 3ns1 h ALA 106 N 1.07 -0.56 0.00 0.18 0.00 -1.23 -1.97 119.26 116.75 3ns1 h ALA 106 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ns1 h ALA 106 Cb 0.16 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ns1 h ALA 106 CO -0.02 -0.83 -0.04 0.87 0.00 0.00 0.00 179.25 179.23 3ns1 h LYS 107 N -0.57 0.00 -0.10 0.00 1.57 -1.30 -3.02 116.57 113.14 3ns1 h LYS 107 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ns1 h LYS 107 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ns1 h LYS 107 CO -0.00 0.04 0.00 0.43 -0.57 0.00 0.00 179.45 179.35 3ns1 n SER 108 N -3.13 0.73 -2.96 0.86 7.64 -0.70 -4.92 113.62 111.15 3ns1 n SER 108 Ca 0.02 -1.73 -0.22 0.00 1.01 0.00 0.00 58.87 57.94 3ns1 n SER 108 Cb 0.42 -0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.58 3ns1 n SER 108 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ns1 n HIS 109 N -0.22 -1.87 1.16 1.43 8.25 -1.14 -4.80 115.22 118.03 3ns1 n HIS 109 Ca 0.11 0.46 0.09 0.00 -0.26 0.00 0.00 57.72 58.12 3ns1 n HIS 109 Cb 0.15 -4.44 0.31 0.00 1.12 0.00 0.00 29.99 27.13 3ns1 n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ns1 n GLY 110 N -1.47 0.34 2.89 -1.41 0.00 -0.74 -4.78 105.19 100.01 3ns1 n GLY 110 Ca -0.13 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3ns1 n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ns1 s SER 111 N -1.39 2.12 0.00 1.61 0.15 -1.26 -4.80 113.70 110.14 3ns1 s SER 111 Ca 0.29 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3ns1 s SER 111 Cb 0.15 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 3ns1 s SER 111 CO 0.23 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.54 3ns1 n GLN 112 N 4.97 0.00 0.22 5.44 6.02 -1.26 -4.78 117.38 127.99 3ns1 n GLN 112 Ca -0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.95 3ns1 n GLN 112 Cb 0.50 0.00 0.53 0.00 1.02 0.00 0.00 30.24 32.28 3ns1 n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ns1 n GLY 114 N -0.44 1.45 0.16 0.00 0.00 -1.26 -4.95 105.19 100.14 3ns1 n GLY 114 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3ns1 n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ns1 h PHE 115 N 0.00 0.00 -0.00 1.61 3.57 -2.01 -2.94 116.94 117.16 3ns1 h PHE 115 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ns1 h PHE 115 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3ns1 h PHE 115 CO 0.00 0.51 -0.44 0.00 -2.23 0.00 0.00 178.31 176.15 3ns1 h THR 117 N 0.65 1.23 -0.69 0.00 2.02 -1.90 -1.78 112.91 112.44 3ns1 h THR 117 Ca 0.00 -0.77 0.14 0.00 0.77 0.00 0.00 66.41 66.55 3ns1 h THR 117 Cb 0.52 1.32 -0.10 0.00 -1.74 0.00 0.00 68.15 68.15 3ns1 h THR 117 CO 0.00 0.24 0.19 -0.65 0.37 0.00 0.00 175.52 175.67 3ns1 h PRO 118 N 0.16 0.30 -0.46 6.66 0.11 -1.79 -0.19 132.00 136.78 3ns1 h PRO 118 Ca 0.07 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 3ns1 h PRO 118 Cb 0.33 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3ns1 h PRO 118 CO 0.01 0.20 -0.14 0.78 -0.21 0.00 0.00 178.00 178.63 3ns1 h GLY 119 N 0.31 0.95 1.01 -0.55 0.00 -1.70 -1.76 103.07 101.32 3ns1 h GLY 119 Ca 0.38 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3ns1 h GLY 119 CO -0.45 0.70 0.22 -2.22 0.00 0.00 0.00 176.54 174.79 3ns1 h ILE 120 N 0.78 1.24 -0.70 2.60 2.04 -0.99 -2.68 117.51 119.79 3ns1 h ILE 120 Ca 0.12 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.29 3ns1 h ILE 120 Cb 0.67 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 3ns1 h ILE 120 CO 0.05 0.30 0.34 0.58 0.00 0.00 0.00 178.15 179.42 3ns1 h VAL 121 N 0.87 0.84 0.00 1.67 2.07 -0.75 -2.17 116.25 118.79 3ns1 h VAL 121 Ca 0.20 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 3ns1 h VAL 121 Cb 0.25 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ns1 h VAL 121 CO -0.01 0.11 -0.54 0.24 0.02 0.00 0.00 177.57 177.38 3ns1 h MET 122 N 0.58 0.00 -0.33 1.57 2.86 -1.23 -1.92 114.93 116.46 3ns1 h MET 122 Ca 0.35 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.89 3ns1 h MET 122 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3ns1 h MET 122 CO -0.27 0.54 -0.16 0.77 1.06 0.00 0.00 176.91 178.85 3ns1 h SER 123 N 0.00 0.71 -0.47 1.22 0.02 -1.08 -2.11 113.55 111.85 3ns1 h SER 123 Ca -0.01 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 3ns1 h SER 123 Cb 1.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3ns1 h SER 123 CO 0.07 0.96 0.01 -0.03 -1.14 0.00 0.00 176.83 176.70 3ns1 h MET 124 N 0.47 0.82 -0.52 3.45 -1.53 -1.34 -2.67 114.93 113.60 3ns1 h MET 124 Ca 0.07 -0.26 -0.07 0.00 -3.44 0.00 0.00 59.70 56.01 3ns1 h MET 124 Cb 0.69 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.64 3ns1 h MET 124 CO 0.05 0.87 0.06 -0.92 0.14 0.00 0.00 176.91 177.11 3ns1 h TYR 125 N 0.68 0.94 -0.45 1.39 3.20 -1.37 -1.39 116.97 119.97 3ns1 h TYR 125 Ca 0.13 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3ns1 h TYR 125 Cb 0.49 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3ns1 h TYR 125 CO 0.04 0.85 0.29 1.15 -1.64 0.00 0.00 178.16 178.85 3ns1 h THR 126 N 0.76 1.10 -0.37 1.81 2.02 -1.34 -1.73 112.91 115.16 3ns1 h THR 126 Ca 0.16 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3ns1 h THR 126 Cb 0.43 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3ns1 h THR 126 CO 0.01 0.11 0.17 0.25 0.37 0.00 0.00 175.52 176.43 3ns1 h LEU 127 N 0.60 0.23 -1.27 2.58 5.85 -1.11 -2.45 115.31 119.73 3ns1 h LEU 127 Ca 0.17 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3ns1 h LEU 127 Cb -0.06 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3ns1 h LEU 127 CO -0.04 0.17 0.16 -0.07 -0.34 0.00 0.00 178.44 178.31 3ns1 h LEU 128 N 0.35 0.60 -1.04 2.25 3.38 -0.89 -0.78 115.31 119.18 3ns1 h LEU 128 Ca 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ns1 h LEU 128 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ns1 h LEU 128 CO -0.13 0.56 0.00 0.03 0.09 0.00 0.00 178.44 178.99 3ns1 h ARG 129 N 0.65 0.00 0.00 1.13 2.47 -0.90 -2.53 114.38 115.20 3ns1 h ARG 129 Ca 0.15 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.58 3ns1 h ARG 129 Cb 0.17 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.44 3ns1 h ARG 129 CO -0.01 0.00 -1.72 0.09 0.56 0.00 0.00 179.97 178.89 3ns1 n ASN 130 N -3.03 0.89 -3.31 7.04 3.02 -0.95 -4.81 115.26 114.11 3ns1 n ASN 130 Ca 0.02 0.41 -0.11 0.00 -0.03 0.00 0.00 54.58 54.87 3ns1 n ASN 130 Cb 0.36 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 3ns1 n ASN 130 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3ns1 s GLN 131 N -2.60 0.67 0.63 3.52 2.00 -0.34 -5.03 119.66 118.52 3ns1 s GLN 131 Ca -0.05 -0.57 0.31 0.00 -2.00 0.00 0.00 55.36 53.05 3ns1 s GLN 131 Cb 0.08 -0.44 1.70 0.00 0.80 0.00 0.00 33.01 35.16 3ns1 s GLN 131 CO 0.82 -1.18 2.01 -1.35 -0.50 0.00 0.00 175.29 175.10 3ns1 h PRO 132 N 7.16 0.00 -2.51 1.67 0.11 -1.71 -3.31 132.00 133.42 3ns1 h PRO 132 Ca 0.04 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.56 3ns1 h PRO 132 Cb 1.10 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.82 3ns1 h PRO 132 CO 0.18 0.00 -0.90 -1.83 -0.21 0.00 0.00 178.00 175.24 3ns1 s GLU 133 N -4.32 0.89 0.70 1.05 -1.05 -1.26 -5.03 118.70 109.68 3ns1 s GLU 133 Ca -0.04 -1.91 -0.07 0.00 -0.15 0.00 0.00 54.97 52.80 3ns1 s GLU 133 Cb 0.12 -1.53 0.06 0.00 -0.44 0.00 0.00 34.13 32.33 3ns1 s GLU 133 CO 0.40 -1.31 1.02 -1.25 0.95 0.00 0.00 175.26 175.07 3ns1 s PRO 134 N 0.34 2.25 0.53 -4.83 0.04 -1.24 -4.78 135.00 127.31 3ns1 s PRO 134 Ca 0.27 -0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.08 3ns1 s PRO 134 Cb -0.07 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.31 3ns1 s PRO 134 CO -0.12 -1.21 0.79 0.95 0.04 0.00 0.00 177.00 177.46 3ns1 s THR 135 N -3.25 3.63 0.29 1.26 -4.23 -1.26 -2.53 115.64 109.55 3ns1 s THR 135 Ca 0.60 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 3ns1 s THR 135 Cb -0.11 -3.39 0.28 0.00 1.34 0.00 0.00 72.50 70.62 3ns1 s THR 135 CO 0.45 -0.34 1.73 0.58 -0.54 0.00 0.00 174.62 176.50 3ns1 h VAL 136 N 0.07 0.59 -0.26 2.29 2.07 -1.96 -2.34 116.25 116.72 3ns1 h VAL 136 Ca -0.45 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3ns1 h VAL 136 Cb 1.26 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3ns1 h VAL 136 CO 0.58 0.10 0.04 -0.33 0.02 0.00 0.00 177.57 177.99 3ns1 h GLU 137 N 0.54 0.42 -0.95 1.57 3.07 -2.00 -1.75 114.58 115.47 3ns1 h GLU 137 Ca 0.54 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 59.34 3ns1 h GLU 137 Cb 0.93 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.73 3ns1 h GLU 137 CO -0.45 0.54 0.62 0.93 -1.40 0.00 0.00 179.01 179.25 3ns1 h GLU 138 N 0.24 1.12 0.56 2.33 5.08 -1.88 -2.51 114.58 119.52 3ns1 h GLU 138 Ca 0.08 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3ns1 h GLU 138 Cb 0.32 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ns1 h GLU 138 CO 0.00 0.74 -0.33 0.82 -1.00 0.00 0.00 179.01 179.25 3ns1 h ILE 139 N 1.16 0.00 -0.88 3.13 2.04 -1.02 -2.55 117.51 119.39 3ns1 h ILE 139 Ca 0.40 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.49 3ns1 h ILE 139 Cb 0.08 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.02 3ns1 h ILE 139 CO -0.15 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.14 3ns1 h GLU 140 N -0.83 0.18 0.00 2.37 4.57 -1.32 -1.97 114.58 117.58 3ns1 h GLU 140 Ca -0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3ns1 h GLU 140 Cb 0.66 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3ns1 h GLU 140 CO 0.08 0.12 0.00 -0.44 -1.18 0.00 0.00 179.01 177.59 3ns1 h ASP 141 N 0.19 0.00 0.00 1.04 5.19 -1.29 -3.08 116.42 118.47 3ns1 h ASP 141 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 3ns1 h ASP 141 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3ns1 h ASP 141 CO -0.67 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.45 3ns1 n ALA 142 N -1.99 2.49 -0.17 3.45 0.00 -0.74 -3.61 120.51 119.95 3ns1 n ALA 142 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ns1 n ALA 142 Cb 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3ns1 n ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ns1 n PHE 143 N -0.91 0.00 0.13 0.00 0.99 -1.16 -4.72 117.46 111.78 3ns1 n PHE 143 Ca 0.17 -0.32 0.19 0.00 -0.00 0.00 0.00 57.45 57.49 3ns1 n PHE 143 Cb 0.08 -0.03 0.77 0.00 -1.00 0.00 0.00 39.48 39.30 3ns1 n PHE 143 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3ns1 h GLN 144 N 0.00 0.00 -0.62 -1.08 4.20 -1.76 -1.23 115.11 114.62 3ns1 h GLN 144 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3ns1 h GLN 144 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3ns1 h GLN 144 CO 0.00 0.00 0.01 0.41 -0.67 0.00 0.00 178.83 178.58 3ns1 n GLY 145 N -1.47 2.92 2.96 3.46 0.00 -1.26 -4.91 105.19 106.88 3ns1 n GLY 145 Ca 0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3ns1 n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ns1 s ASN 146 N -0.73 2.53 -0.12 1.61 0.01 -0.47 -2.30 114.94 115.47 3ns1 s ASN 146 Ca 0.51 -0.45 -0.06 0.00 -0.71 0.00 0.00 52.86 52.15 3ns1 s ASN 146 Cb 0.39 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 3ns1 s ASN 146 CO 0.15 -0.10 0.08 -0.76 -1.51 0.00 0.00 177.10 174.96 3ns1 s LEU 147 N 1.59 4.04 -0.06 0.60 1.43 -0.22 -4.99 118.68 121.07 3ns1 s LEU 147 Ca 0.04 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3ns1 s LEU 147 Cb -0.13 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3ns1 s LEU 147 CO -0.09 0.36 -0.11 0.00 0.23 0.00 0.00 176.35 176.74 3ns1 n ARG 149 N 3.80 0.27 -0.09 0.00 3.00 -1.26 -4.64 116.66 117.74 3ns1 n ARG 149 Ca -0.23 -0.07 -0.23 0.00 -0.00 0.00 0.00 57.85 57.31 3ns1 n ARG 149 Cb 0.52 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.36 3ns1 n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ns1 n THR 151 N -4.11 0.41 -1.83 0.00 -2.24 -1.26 -4.96 114.28 100.29 3ns1 n THR 151 Ca -0.38 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 60.80 3ns1 n THR 151 Cb 0.82 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 3ns1 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 152 N 1.28 1.31 4.56 3.38 0.00 -1.26 -4.41 105.19 110.04 3ns1 n GLY 152 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ns1 n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ns1 n TYR 153 N -2.84 0.00 -0.35 1.61 4.02 -1.26 -4.74 117.16 113.59 3ns1 n TYR 153 Ca -0.22 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.73 3ns1 n TYR 153 Cb 0.69 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.15 3ns1 n TYR 153 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ns1 h ARG 154 N 0.00 0.00 0.00 -0.72 1.12 -2.01 -0.57 114.38 112.20 3ns1 h ARG 154 Ca 0.00 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.82 3ns1 h ARG 154 Cb 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 3ns1 h ARG 154 CO 0.00 0.00 -0.25 -1.00 -3.11 0.00 0.00 179.97 175.61 3ns1 h PRO 155 N 0.00 0.00 -0.07 0.20 0.13 -1.85 -1.44 132.00 128.98 3ns1 h PRO 155 Ca 0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.52 3ns1 h PRO 155 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3ns1 h PRO 155 CO -1.00 0.25 -0.27 0.82 -0.23 0.00 0.00 178.00 177.57 3ns1 h ILE 156 N 0.00 1.43 -0.76 -3.56 2.04 -1.43 -2.23 117.51 113.01 3ns1 h ILE 156 Ca -0.00 -1.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 3ns1 h ILE 156 Cb 0.88 2.33 -0.04 0.00 -0.74 0.00 0.00 36.82 39.26 3ns1 h ILE 156 CO 0.03 0.48 0.39 -0.07 0.00 0.00 0.00 178.15 178.99 3ns1 h LEU 157 N -0.21 0.95 -0.34 1.44 3.38 -1.27 -1.02 115.31 118.23 3ns1 h LEU 157 Ca -0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3ns1 h LEU 157 Cb 0.92 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ns1 h LEU 157 CO 0.06 0.78 -0.03 -0.61 0.09 0.00 0.00 178.44 178.73 3ns1 h GLN 158 N 1.06 0.63 -0.01 1.13 4.15 -1.29 0.23 115.11 121.01 3ns1 h GLN 158 Ca 0.27 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 3ns1 h GLN 158 Cb 0.06 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 3ns1 h GLN 158 CO -0.04 0.76 0.01 0.78 -1.93 0.00 0.00 178.83 178.41 3ns1 h GLY 159 N 0.43 0.02 2.00 2.39 0.00 -1.27 -3.21 103.07 103.43 3ns1 h GLY 159 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 3ns1 h GLY 159 CO 0.02 0.01 -0.39 0.74 0.00 0.00 0.00 176.54 176.92 3ns1 h PHE 160 N -0.05 0.00 0.00 5.60 0.04 -1.02 -3.17 116.94 118.34 3ns1 h PHE 160 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ns1 h PHE 160 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3ns1 h PHE 160 CO -0.05 0.39 0.00 -0.09 -0.60 0.00 0.00 178.31 177.95 3ns1 h ARG 161 N 0.00 0.00 0.00 1.51 2.43 -0.54 -1.39 114.38 116.39 3ns1 h ARG 161 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ns1 h ARG 161 Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3ns1 h ARG 161 CO 0.05 0.00 0.00 -2.37 -1.51 0.00 0.00 179.97 176.14 3ns1 n THR 162 N -2.43 1.21 1.01 0.20 5.66 -1.20 -2.40 114.28 116.34 3ns1 n THR 162 Ca -0.01 0.66 0.12 0.00 -3.05 0.00 0.00 64.05 61.77 3ns1 n THR 162 Cb 0.07 -1.66 0.29 0.00 -1.55 0.00 0.00 70.33 67.49 3ns1 n THR 162 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3ns1 n PHE 163 N -2.10 0.17 -2.53 1.09 3.01 -0.52 -5.02 117.46 111.54 3ns1 n PHE 163 Ca -0.01 -0.08 -0.22 0.00 1.01 0.00 0.00 57.45 58.15 3ns1 n PHE 163 Cb 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.62 3ns1 n PHE 163 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ns1 n ALA 164 N 0.87 0.08 0.00 4.37 0.00 -1.01 -4.21 120.51 120.61 3ns1 n ALA 164 Ca 0.17 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.82 3ns1 n ALA 164 Cb 0.48 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.20 3ns1 n ALA 164 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13