#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 0.79 0.67 1.79 0.00 -1.26 -5.15 121.76 118.59 3ns1 s ALA 3 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 3ns1 s ALA 3 Cb 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3ns1 s ALA 3 CO 0.00 0.04 1.06 -0.51 0.00 0.00 0.00 175.76 176.35 3ns1 s ASP 4 N 0.74 5.53 0.16 0.00 1.01 -1.26 -5.04 116.67 117.81 3ns1 s ASP 4 Ca -0.11 1.64 -0.22 0.00 0.71 0.00 0.00 52.55 54.57 3ns1 s ASP 4 Cb -0.14 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 3ns1 s ASP 4 CO 0.01 -1.34 0.70 -1.61 0.21 0.00 0.00 175.17 173.14 3ns1 s GLU 5 N -4.85 4.37 -0.16 8.23 2.02 -1.26 -4.80 118.70 122.25 3ns1 s GLU 5 Ca 0.59 0.96 -0.12 0.00 0.02 0.00 0.00 54.97 56.42 3ns1 s GLU 5 Cb -0.14 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 3ns1 s GLU 5 CO 0.51 0.54 0.22 -1.17 0.02 0.00 0.00 175.26 175.38 3ns1 s LEU 6 N -1.40 4.25 -0.13 1.80 2.96 0.16 -4.97 118.68 121.36 3ns1 s LEU 6 Ca 0.36 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 3ns1 s LEU 6 Cb -0.20 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.27 3ns1 s LEU 6 CO 0.23 0.17 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.68 3ns1 s VAL 7 N 0.22 1.00 0.18 1.68 1.01 -1.26 -0.11 120.40 123.11 3ns1 s VAL 7 Ca 0.13 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3ns1 s VAL 7 Cb -0.12 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3ns1 s VAL 7 CO 0.02 0.27 0.15 2.22 0.00 0.00 0.00 175.10 177.77 3ns1 n PHE 8 N 4.94 -0.44 -4.64 5.22 1.16 -0.61 -0.96 117.46 122.12 3ns1 n PHE 8 Ca -0.12 -1.51 -0.24 0.00 -1.87 0.00 0.00 57.45 53.71 3ns1 n PHE 8 Cb 0.49 0.16 -0.16 0.00 -1.61 0.00 0.00 39.48 38.36 3ns1 n PHE 8 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3ns1 s PHE 9 N -2.75 1.40 -0.15 2.97 0.40 -0.80 -1.10 117.98 117.95 3ns1 s PHE 9 Ca 0.21 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 3ns1 s PHE 9 Cb 0.01 -0.97 0.03 0.00 0.51 0.00 0.00 43.02 42.59 3ns1 s PHE 9 CO 0.15 -0.16 -0.11 0.08 0.70 0.00 0.00 175.22 175.89 3ns1 s VAL 10 N 0.20 1.35 -1.55 -0.44 1.01 -0.53 0.87 120.40 121.31 3ns1 s VAL 10 Ca -0.05 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3ns1 s VAL 10 Cb -0.11 -1.35 0.09 0.00 0.00 0.00 0.00 36.38 35.01 3ns1 s VAL 10 CO 0.02 0.35 0.83 0.59 0.00 0.00 0.00 175.10 176.89 3ns1 n ASN 11 N 4.83 -3.44 0.00 3.32 3.02 0.93 -1.83 115.26 122.09 3ns1 n ASN 11 Ca -0.15 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3ns1 n ASN 11 Cb 0.49 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 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 -1.63 0.67 3.32 7.41 0.00 -1.26 -5.03 105.19 108.68 3ns1 n GLY 12 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.01 2.18 -0.01 1.61 2.20 -0.76 -5.10 119.74 119.84 3ns1 s LYS 13 Ca 0.00 -0.91 -0.27 0.00 -0.36 0.00 0.00 55.97 54.43 3ns1 s LYS 13 Cb 0.00 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 3ns1 s LYS 13 CO 0.00 0.55 0.86 0.21 -0.36 0.00 0.00 175.35 176.62 3ns1 s LYS 14 N -0.59 4.52 -0.23 4.03 2.20 -1.26 -1.45 119.74 126.96 3ns1 s LYS 14 Ca 0.09 1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 56.89 3ns1 s LYS 14 Cb -0.10 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3ns1 s LYS 14 CO -0.01 0.03 -0.07 0.08 -0.36 0.00 0.00 175.35 175.03 3ns1 s VAL 15 N 0.80 2.99 -0.48 4.02 1.01 -0.26 -4.98 120.40 123.50 3ns1 s VAL 15 Ca 0.46 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3ns1 s VAL 15 Cb -0.20 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 33.88 3ns1 s VAL 15 CO 0.24 0.33 0.29 -0.69 0.00 0.00 0.00 175.10 175.28 3ns1 s VAL 16 N 1.39 3.52 -0.30 2.92 1.01 -1.26 -1.58 120.40 126.10 3ns1 s VAL 16 Ca 0.03 -2.32 -0.20 0.00 0.00 0.00 0.00 61.98 59.49 3ns1 s VAL 16 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3ns1 s VAL 16 CO -0.05 -0.76 0.63 -0.70 0.00 0.00 0.00 175.10 174.22 3ns1 s GLU 17 N 0.78 3.94 0.15 2.72 2.56 0.84 -4.92 118.70 124.76 3ns1 s GLU 17 Ca 0.11 0.35 0.22 0.00 0.00 0.00 0.00 54.97 55.65 3ns1 s GLU 17 Cb -0.22 -3.71 -0.07 0.00 2.00 0.00 0.00 34.13 32.13 3ns1 s GLU 17 CO -0.04 -0.55 0.93 1.63 -0.56 0.00 0.00 175.26 176.67 3ns1 n LYS 18 N 5.86 0.60 -2.59 4.30 5.02 -1.26 -0.67 118.16 129.42 3ns1 n LYS 18 Ca -0.01 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 3ns1 n LYS 18 Cb 0.49 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3ns1 n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ns1 n ASN 19 N -2.56 2.61 -4.65 4.39 3.02 -1.26 -4.72 115.26 112.09 3ns1 n ASN 19 Ca -0.01 -3.05 -0.45 0.00 -0.03 0.00 0.00 54.58 51.03 3ns1 n ASN 19 Cb 0.55 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.23 0.71 -2.82 5.41 0.00 -1.26 -4.99 120.51 117.33 3ns1 n ALA 20 Ca 0.20 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.70 3ns1 n ALA 20 Cb 0.77 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.89 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 0.20 5.65 0.60 0.00 -1.08 -1.26 -5.01 116.67 115.76 3ns1 s ASP 21 Ca 0.69 0.02 0.29 0.00 -0.52 0.00 0.00 52.55 53.03 3ns1 s ASP 21 Cb -0.69 -1.99 1.64 0.00 -1.46 0.00 0.00 42.92 40.42 3ns1 s ASP 21 CO 0.51 0.09 2.05 -0.65 0.52 0.00 0.00 175.17 177.69 3ns1 h PRO 22 N 7.32 0.00 0.00 4.34 0.11 -2.02 -1.16 132.00 140.58 3ns1 h PRO 22 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ns1 h PRO 22 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ns1 h PRO 22 CO 0.65 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 3ns1 n GLU 23 N -3.69 0.01 -2.45 1.05 1.02 -1.26 -4.80 120.64 110.52 3ns1 n GLU 23 Ca 0.03 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 3ns1 n GLU 23 Cb 0.39 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.99 4.30 0.59 2.62 2.01 -0.44 -5.01 115.64 116.72 3ns1 s THR 24 Ca 0.14 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.59 3ns1 s THR 24 Cb 0.18 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3ns1 s THR 24 CO 0.50 -0.09 1.02 0.42 -0.69 0.00 0.00 174.62 175.78 3ns1 s THR 25 N 3.05 4.38 0.16 -0.82 -4.23 -1.26 -2.13 115.64 114.79 3ns1 s THR 25 Ca 0.54 0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 61.90 3ns1 s THR 25 Cb -0.22 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 70.00 3ns1 s THR 25 CO 0.17 -0.83 1.63 0.25 -0.54 0.00 0.00 174.62 175.30 3ns1 h LEU 26 N 0.19 0.90 -0.30 4.79 5.85 -0.83 -2.11 115.31 123.80 3ns1 h LEU 26 Ca -0.45 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.04 3ns1 h LEU 26 Cb 1.20 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 3ns1 h LEU 26 CO 0.60 0.97 -0.15 0.25 -0.34 0.00 0.00 178.44 179.77 3ns1 h LEU 27 N 0.81 -0.52 -1.52 2.25 5.85 -1.48 0.52 115.31 121.23 3ns1 h LEU 27 Ca 0.16 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3ns1 h LEU 27 Cb 0.49 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3ns1 h LEU 27 CO 0.02 -0.19 0.11 0.00 -0.34 0.00 0.00 178.44 178.05 3ns1 h ALA 28 N 1.12 1.62 -0.17 1.25 0.00 -1.80 -2.45 119.26 118.82 3ns1 h ALA 28 Ca 0.16 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3ns1 h ALA 28 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ns1 h ALA 28 CO -0.37 0.30 -0.44 -0.92 0.00 0.00 0.00 179.25 177.82 3ns1 h TYR 29 N 0.43 0.78 -0.43 0.00 3.20 -0.27 -1.66 116.97 119.02 3ns1 h TYR 29 Ca 0.11 -0.30 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 3ns1 h TYR 29 Cb 0.11 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3ns1 h TYR 29 CO 0.00 1.06 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.44 3ns1 h LEU 30 N 0.27 0.81 -0.02 2.82 3.38 -1.01 -1.56 115.31 120.00 3ns1 h LEU 30 Ca -0.01 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3ns1 h LEU 30 Cb 1.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ns1 h LEU 30 CO 0.09 0.97 -0.19 0.03 0.09 0.00 0.00 178.44 179.44 3ns1 h ARG 31 N 0.64 0.16 0.00 1.13 3.08 -1.49 0.25 114.38 118.14 3ns1 h ARG 31 Ca 0.11 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ns1 h ARG 31 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3ns1 h ARG 31 CO 0.04 0.84 -1.69 0.54 -1.07 0.00 0.00 179.97 178.64 3ns1 n ARG 32 N -4.57 0.58 -0.12 0.04 1.74 -0.62 -3.22 116.66 110.48 3ns1 n ARG 32 Ca -0.09 -0.14 -0.17 0.00 -0.77 0.00 0.00 57.85 56.67 3ns1 n ARG 32 Cb 0.45 -1.38 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.03 0.58 -0.00 5.56 0.00 -0.67 -4.72 118.16 116.88 3ns1 n LYS 33 Ca -0.03 0.15 0.07 0.00 0.00 0.00 0.00 58.31 58.50 3ns1 n LYS 33 Cb 0.42 -1.46 -0.08 0.00 0.00 0.00 0.00 35.03 33.91 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 -3.30 0.65 -0.62 3.14 4.77 -0.72 -5.01 117.00 115.93 3ns1 n LEU 34 Ca -0.42 -0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 55.02 3ns1 n LEU 34 Cb 0.93 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 3ns1 n LEU 34 CO 0.21 0.16 -0.07 0.61 -1.33 0.00 0.00 177.39 176.97 3ns1 n GLY 35 N 1.36 0.55 3.32 -0.72 0.00 -0.77 -4.99 105.19 103.93 3ns1 n GLY 35 Ca 0.02 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.68 6.29 -0.05 0.99 1.43 0.80 -4.93 118.68 121.53 3ns1 s LEU 36 Ca 0.00 -1.98 0.13 0.00 -1.03 0.00 0.00 54.13 51.25 3ns1 s LEU 36 Cb 0.00 -2.21 0.46 0.00 0.03 0.00 0.00 46.19 44.46 3ns1 s LEU 36 CO 0.00 -0.80 1.33 0.54 0.23 0.00 0.00 176.35 177.65 3ns1 n ARG 37 N 5.00 2.58 -0.16 1.70 1.74 -1.26 -3.90 116.66 122.36 3ns1 n ARG 37 Ca -0.08 -1.82 -0.03 0.00 -0.77 0.00 0.00 57.85 55.15 3ns1 n ARG 37 Cb 0.42 -1.58 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 4.77 0.64 -4.36 -0.13 0.00 -1.95 -3.42 103.07 98.62 3ns1 h GLY 38 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 47.33 46.71 3ns1 h GLY 38 CO 0.11 0.01 0.47 -1.59 0.00 0.00 0.00 176.54 175.53 3ns1 s THR 39 N -6.13 4.32 0.21 4.70 2.01 -1.26 -4.82 115.64 114.67 3ns1 s THR 39 Ca -0.13 1.74 0.10 0.00 0.31 0.00 0.00 61.69 63.71 3ns1 s THR 39 Cb 0.14 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3ns1 s THR 39 CO 0.73 0.17 -0.14 -0.54 -0.69 0.00 0.00 174.62 174.16 3ns1 s LYS 40 N 0.71 1.89 -0.33 4.92 -0.14 -0.87 -4.91 119.74 121.02 3ns1 s LYS 40 Ca 0.54 -1.43 -0.12 0.00 -1.36 0.00 0.00 55.97 53.60 3ns1 s LYS 40 Cb -0.26 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.85 3ns1 s LYS 40 CO 0.30 0.40 0.22 -1.17 -0.76 0.00 0.00 175.35 174.34 3ns1 s LEU 41 N -3.00 4.37 -0.09 3.17 2.96 -1.26 -3.25 118.68 121.59 3ns1 s LEU 41 Ca 0.25 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3ns1 s LEU 41 Cb -0.08 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.41 3ns1 s LEU 41 CO 0.14 -0.20 -0.00 0.61 -1.32 0.00 0.00 176.35 175.58 3ns1 n GLY 42 N 5.08 -0.33 0.00 7.98 0.00 -1.26 -4.98 105.19 111.67 3ns1 n GLY 42 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.02 0.60 0.54 0.00 0.00 -1.26 -4.85 105.19 100.19 3ns1 n GLY 44 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.13 0.45 -0.75 1.61 0.28 -1.26 -4.85 120.64 113.99 3ns1 n GLU 45 Ca 0.00 -1.72 0.00 0.00 -0.16 0.00 0.00 57.16 55.28 3ns1 n GLU 45 Cb 0.05 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.15 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 -0.38 0.74 0.11 -1.84 0.00 -1.26 -4.94 105.19 97.61 3ns1 n GLY 46 Ca 0.06 0.00 0.08 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 -2.39 -0.44 0.02 -0.02 0.00 -1.26 -4.69 105.19 96.41 3ns1 n GLY 47 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 2.40 1.55 0.11 0.00 0.00 -1.07 -1.51 105.19 106.67 3ns1 n GLY 49 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3ns1 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 n ALA 50 N 0.64 0.52 -0.71 4.61 0.00 -1.26 -0.92 120.51 123.38 3ns1 n ALA 50 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.58 3ns1 n ALA 50 Cb 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 19.45 19.02 3ns1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ns1 s THR 52 N -2.21 2.53 0.31 0.00 2.01 -0.10 -2.34 115.64 115.84 3ns1 s THR 52 Ca 0.31 0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.75 3ns1 s THR 52 Cb 0.24 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3ns1 s THR 52 CO 0.08 0.03 0.02 0.68 -0.69 0.00 0.00 174.62 174.75 3ns1 s VAL 53 N 0.98 1.35 -0.13 3.82 -7.23 -0.31 -4.72 120.40 114.15 3ns1 s VAL 53 Ca 0.69 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 3ns1 s VAL 53 Cb -0.44 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 3ns1 s VAL 53 CO 0.33 -0.10 0.06 -0.32 -0.31 0.00 0.00 175.10 174.76 3ns1 s MET 54 N -3.84 3.49 -0.10 4.82 1.75 -0.74 -1.69 119.30 123.00 3ns1 s MET 54 Ca 0.34 -0.32 -0.01 0.00 -1.25 0.00 0.00 55.69 54.45 3ns1 s MET 54 Cb 0.07 -3.05 -0.03 0.00 2.84 0.00 0.00 34.83 34.66 3ns1 s MET 54 CO 0.14 0.55 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.52 3ns1 s LEU 55 N -0.42 3.37 -0.06 4.11 1.43 0.49 -1.21 118.68 126.38 3ns1 s LEU 55 Ca 0.09 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3ns1 s LEU 55 Cb -0.12 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3ns1 s LEU 55 CO 0.02 0.32 -0.16 -0.44 0.23 0.00 0.00 176.35 176.32 3ns1 s SER 56 N -0.56 2.15 0.04 2.29 0.01 0.94 -1.65 113.70 116.92 3ns1 s SER 56 Ca 0.09 -0.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.88 3ns1 s SER 56 Cb -0.12 -0.84 0.01 0.00 0.21 0.00 0.00 66.02 65.28 3ns1 s SER 56 CO 0.02 0.10 0.22 -1.59 0.41 0.00 0.00 173.24 172.40 3ns1 s LYS 57 N 0.36 0.71 -0.20 12.44 -2.85 -0.91 -0.81 119.74 128.49 3ns1 s LYS 57 Ca -0.11 -0.59 -0.25 0.00 -1.00 0.00 0.00 55.97 54.02 3ns1 s LYS 57 Cb -0.15 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.91 3ns1 s LYS 57 CO 0.04 -0.21 0.82 -0.47 0.10 0.00 0.00 175.35 175.64 3ns1 s TYR 58 N -2.51 3.38 -0.82 1.78 5.04 -1.26 -0.99 117.35 121.96 3ns1 s TYR 58 Ca -0.05 1.20 -0.22 0.00 -2.44 0.00 0.00 57.07 55.56 3ns1 s TYR 58 Cb -0.01 -3.02 0.08 0.00 0.35 0.00 0.00 41.96 39.36 3ns1 s TYR 58 CO -0.03 -0.29 1.15 0.34 -1.34 0.00 0.00 175.55 175.37 3ns1 s ASP 59 N 1.22 6.37 0.35 4.32 -1.08 0.17 -4.89 116.67 123.13 3ns1 s ASP 59 Ca 0.37 -1.32 0.16 0.00 -0.52 0.00 0.00 52.55 51.24 3ns1 s ASP 59 Cb -0.16 -2.46 1.19 0.00 -1.46 0.00 0.00 42.92 40.03 3ns1 s ASP 59 CO 0.10 -1.40 1.53 0.54 0.52 0.00 0.00 175.17 176.47 3ns1 n ARG 60 N 7.82 -0.06 0.00 4.34 5.12 -1.26 -0.46 116.66 132.15 3ns1 n ARG 60 Ca 0.13 1.37 0.00 0.00 -1.93 0.00 0.00 57.85 57.41 3ns1 n ARG 60 Cb 0.48 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.39 3ns1 n ARG 60 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3ns1 n LEU 61 N -5.25 1.10 -0.26 0.55 7.94 -1.26 -4.29 117.00 115.52 3ns1 n LEU 61 Ca 0.34 0.14 0.32 0.00 -1.11 0.00 0.00 56.01 55.70 3ns1 n LEU 61 Cb 1.15 0.00 0.63 0.00 0.53 0.00 0.00 43.42 45.73 3ns1 n LEU 61 CO -0.01 0.00 1.30 1.56 -1.11 0.00 0.00 177.39 179.13 3ns1 h GLN 62 N 0.00 0.00 0.00 1.96 4.20 -1.85 -3.44 115.11 115.98 3ns1 h GLN 62 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ns1 h GLN 62 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3ns1 h GLN 62 CO 0.00 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.69 3ns1 n ASP 63 N -3.63 0.00 -4.97 1.46 -0.08 0.39 -5.05 116.55 104.68 3ns1 n ASP 63 Ca 0.24 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.31 3ns1 n ASP 63 Cb 1.37 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.84 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 -0.30 3.08 -0.12 -0.67 2.20 -1.26 -4.80 119.74 117.87 3ns1 s LYS 64 Ca 0.00 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 3ns1 s LYS 64 Cb 0.00 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3ns1 s LYS 64 CO 0.00 -0.14 1.01 0.42 -0.36 0.00 0.00 175.35 176.28 3ns1 s ILE 65 N -2.40 4.77 -0.05 5.43 1.01 -1.26 0.44 121.20 129.15 3ns1 s ILE 65 Ca 0.47 2.03 0.02 0.00 0.00 0.00 0.00 60.65 63.17 3ns1 s ILE 65 Cb -0.10 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 3ns1 s ILE 65 CO 0.35 -0.02 -0.07 0.27 0.00 0.00 0.00 174.94 175.47 3ns1 s ILE 66 N 2.15 3.63 -0.17 2.92 -4.36 -0.16 -4.97 121.20 120.25 3ns1 s ILE 66 Ca 0.48 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 3ns1 s ILE 66 Cb -0.18 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.03 3ns1 s ILE 66 CO 0.16 0.54 -0.16 -1.00 0.24 0.00 0.00 174.94 174.72 3ns1 s HIS 67 N -0.86 2.78 0.03 1.37 3.76 -1.26 -2.14 115.29 118.98 3ns1 s HIS 67 Ca 0.14 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 3ns1 s HIS 67 Cb -0.11 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 3ns1 s HIS 67 CO 0.03 -0.59 -0.04 -0.59 -0.85 0.00 0.00 174.74 172.70 3ns1 s PHE 68 N 1.02 0.38 0.57 1.40 -0.12 -0.66 -4.87 117.98 115.70 3ns1 s PHE 68 Ca -0.02 -0.63 -0.08 0.00 -0.05 0.00 0.00 56.93 56.16 3ns1 s PHE 68 Cb -0.15 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 3ns1 s PHE 68 CO -0.04 -0.21 0.92 -1.54 -0.05 0.00 0.00 175.22 174.30 3ns1 s SER 69 N -1.77 6.06 -0.15 1.98 1.04 -1.26 -0.38 113.70 119.23 3ns1 s SER 69 Ca -0.10 1.08 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 3ns1 s SER 69 Cb -0.06 -2.20 0.11 0.00 0.10 0.00 0.00 66.02 63.97 3ns1 s SER 69 CO -0.02 -0.83 0.93 0.00 0.98 0.00 0.00 173.24 174.29 3ns1 s ALA 70 N -2.99 -1.90 -0.52 5.32 0.00 -0.68 -4.86 121.76 116.13 3ns1 s ALA 70 Ca 0.52 1.56 -0.25 0.00 0.00 0.00 0.00 51.96 53.79 3ns1 s ALA 70 Cb -0.11 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.43 3ns1 s ALA 70 CO 0.49 -0.32 0.96 -0.80 0.00 0.00 0.00 175.76 176.09 3ns1 s ASN 71 N -1.02 6.41 0.60 0.00 0.01 -1.26 -1.17 114.94 118.51 3ns1 s ASN 71 Ca -0.03 -0.13 0.30 0.00 -0.71 0.00 0.00 52.86 52.28 3ns1 s ASN 71 Cb -0.01 -2.45 1.74 0.00 0.41 0.00 0.00 41.25 40.94 3ns1 s ASN 71 CO 0.03 -1.18 2.13 0.00 -1.51 0.00 0.00 177.10 176.56 3ns1 h ALA 72 N 9.24 1.68 0.00 0.60 0.00 -1.83 -2.28 119.26 126.68 3ns1 h ALA 72 Ca -0.25 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ns1 h ALA 72 Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ns1 h ALA 72 CO 1.07 -0.25 -0.18 0.00 0.00 0.00 0.00 179.25 179.90 3ns1 n LEU 74 N -3.34 0.50 -4.62 0.00 4.77 -0.89 -4.84 117.00 108.58 3ns1 n LEU 74 Ca 0.00 -0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 55.14 3ns1 n LEU 74 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3ns1 n LEU 74 CO 0.32 0.12 1.02 0.00 -1.33 0.00 0.00 177.39 177.53 3ns1 s ALA 75 N -2.33 3.30 0.21 -1.18 0.00 -1.01 -4.97 121.76 115.78 3ns1 s ALA 75 Ca 0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 3ns1 s ALA 75 Cb 0.09 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 3ns1 s ALA 75 CO 0.53 -1.93 1.35 -2.14 0.00 0.00 0.00 175.76 173.56 3ns1 s PRO 76 N 4.15 4.35 0.59 0.00 0.02 -1.26 -0.95 135.00 141.91 3ns1 s PRO 76 Ca 0.48 2.12 0.29 0.00 0.02 0.00 0.00 61.00 63.91 3ns1 s PRO 76 Cb -0.10 -3.17 1.70 0.00 0.02 0.00 0.00 34.50 32.95 3ns1 s PRO 76 CO 0.25 -0.30 2.15 -0.84 -0.33 0.00 0.00 177.00 177.93 3ns1 h ILE 77 N 3.70 0.50 0.00 2.83 3.07 -1.71 -1.56 117.51 124.34 3ns1 h ILE 77 Ca -0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3ns1 h ILE 77 Cb 1.21 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3ns1 h ILE 77 CO 0.78 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.88 3ns1 n THR 79 N -2.48 0.15 -0.53 0.00 -2.24 -0.59 -4.44 114.28 104.15 3ns1 n THR 79 Ca 0.01 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 3ns1 n THR 79 Cb 0.21 0.16 0.19 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.02 3.25 -4.69 3.22 4.77 -0.62 -4.92 117.00 117.98 3ns1 n LEU 80 Ca 0.15 -2.45 -0.43 0.00 -0.03 0.00 0.00 56.01 53.25 3ns1 n LEU 80 Cb 0.24 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3ns1 n LEU 80 CO 0.12 0.69 1.48 1.57 -1.33 0.00 0.00 177.39 179.92 3ns1 n HIS 81 N -0.03 2.60 -2.50 -1.77 -0.00 -1.26 -0.46 115.22 111.80 3ns1 n HIS 81 Ca 0.15 -0.15 -0.20 0.00 0.46 0.00 0.00 57.72 57.97 3ns1 n HIS 81 Cb 0.61 -2.73 -0.00 0.00 -0.12 0.00 0.00 29.99 27.75 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 5.76 -1.19 -3.94 1.57 8.25 -0.14 -5.02 115.22 120.52 3ns1 n HIS 82 Ca 0.18 0.08 -0.30 0.00 -0.26 0.00 0.00 57.72 57.42 3ns1 n HIS 82 Cb 0.37 -3.92 -0.04 0.00 1.12 0.00 0.00 29.99 27.52 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 -3.02 5.26 -0.19 1.59 1.01 0.40 -4.80 120.40 120.64 3ns1 s VAL 83 Ca 0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3ns1 s VAL 83 Cb -0.02 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3ns1 s VAL 83 CO 0.06 0.11 0.06 0.00 0.00 0.00 0.00 175.10 175.34 3ns1 s ALA 84 N -1.52 3.39 -0.14 5.51 0.00 0.00 -1.91 121.76 127.10 3ns1 s ALA 84 Ca 0.34 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 3ns1 s ALA 84 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3ns1 s ALA 84 CO 0.27 0.13 0.04 0.08 0.00 0.00 0.00 175.76 176.28 3ns1 s VAL 85 N 0.46 4.65 -0.15 0.00 1.01 0.25 -0.04 120.40 126.58 3ns1 s VAL 85 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3ns1 s VAL 85 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3ns1 s VAL 85 CO 0.01 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 3ns1 s THR 86 N -0.25 2.54 0.54 3.92 2.01 -0.35 -0.05 115.64 124.00 3ns1 s THR 86 Ca 0.07 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.32 3ns1 s THR 86 Cb -0.12 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.36 3ns1 s THR 86 CO 0.02 0.52 0.41 0.42 -0.69 0.00 0.00 174.62 175.30 3ns1 s THR 87 N 0.80 1.73 0.32 -0.82 -4.23 -1.26 -1.78 115.64 110.38 3ns1 s THR 87 Ca -0.06 -1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3ns1 s THR 87 Cb -0.15 -2.20 0.26 0.00 1.34 0.00 0.00 72.50 71.74 3ns1 s THR 87 CO -0.00 0.00 1.98 1.62 -0.54 0.00 0.00 174.62 177.68 3ns1 h VAL 88 N 0.76 1.19 0.00 2.29 3.04 -1.90 -1.43 116.25 120.21 3ns1 h VAL 88 Ca -0.37 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3ns1 h VAL 88 Cb 1.30 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3ns1 h VAL 88 CO 0.57 0.19 0.00 -1.84 -1.01 0.00 0.00 177.57 175.48 3ns1 n GLU 89 N -4.41 0.14 0.18 4.17 0.00 -1.26 -2.83 120.64 116.63 3ns1 n GLU 89 Ca 0.08 0.33 0.14 0.00 0.00 0.00 0.00 57.16 57.71 3ns1 n GLU 89 Cb 0.04 -1.75 0.45 0.00 0.00 0.00 0.00 31.44 30.18 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 2.71 0.00 -0.60 -1.84 0.00 -1.64 -3.37 103.07 98.32 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 -0.26 0.29 0.00 0.00 0.00 176.54 176.57 3ns1 n ILE 91 N -2.66 0.00 0.00 2.60 -5.35 -1.13 -4.97 119.36 107.84 3ns1 n ILE 91 Ca 0.03 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3ns1 n ILE 91 Cb 0.37 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 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 1.00 3.03 3.49 3.28 0.00 -1.26 -3.80 105.19 110.93 3ns1 n GLY 92 Ca 0.05 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.60 0.42 1.61 0.15 -0.90 -4.68 113.70 109.71 3ns1 s SER 93 Ca 0.00 0.78 0.30 0.00 0.70 0.00 0.00 55.95 57.73 3ns1 s SER 93 Cb 0.00 0.71 1.40 0.00 -1.71 0.00 0.00 66.02 66.42 3ns1 s SER 93 CO 0.00 -0.49 1.89 0.71 1.20 0.00 0.00 173.24 176.55 3ns1 h THR 94 N 3.40 0.00 0.00 6.45 1.35 -2.00 -2.23 112.91 119.88 3ns1 h THR 94 Ca -0.28 -0.20 -0.12 0.00 -0.55 0.00 0.00 66.41 65.27 3ns1 h THR 94 Cb 1.15 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 3ns1 h THR 94 CO 0.32 0.00 -0.56 0.11 -0.25 0.00 0.00 175.52 175.14 3ns1 h LYS 95 N 0.00 0.00 0.00 4.72 1.57 -2.05 -3.45 116.57 117.37 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3ns1 h LYS 95 CO 0.00 0.56 0.00 0.25 -0.57 0.00 0.00 179.45 179.69 3ns1 n THR 96 N -3.37 0.00 -3.72 -0.16 -2.24 -1.03 -5.13 114.28 98.63 3ns1 n THR 96 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3ns1 n THR 96 Cb 0.70 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.56 0.42 -0.78 3.52 -0.87 -4.95 118.95 116.85 3ns1 s ARG 97 Ca 0.00 0.54 -0.25 0.00 -0.13 0.00 0.00 55.73 55.89 3ns1 s ARG 97 Cb 0.00 0.27 -0.08 0.00 -1.56 0.00 0.00 34.95 33.58 3ns1 s ARG 97 CO 0.00 -0.08 1.22 -0.51 -0.81 0.00 0.00 175.30 175.11 3ns1 s LEU 98 N 0.04 4.15 0.49 -0.88 1.43 -1.20 -2.11 118.68 120.61 3ns1 s LEU 98 Ca -0.02 2.45 -0.21 0.00 -1.03 0.00 0.00 54.13 55.32 3ns1 s LEU 98 Cb -0.03 -4.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 3ns1 s LEU 98 CO 0.01 -0.81 1.11 -2.28 0.23 0.00 0.00 176.35 174.61 3ns1 s HIS 99 N -1.38 2.87 0.40 0.29 5.65 -1.25 -4.84 115.29 117.02 3ns1 s HIS 99 Ca 0.59 1.56 0.18 0.00 0.25 0.00 0.00 55.06 57.64 3ns1 s HIS 99 Cb -0.33 -3.25 1.09 0.00 -1.18 0.00 0.00 32.58 28.91 3ns1 s HIS 99 CO 0.41 -1.29 1.78 -1.35 -0.65 0.00 0.00 174.74 173.65 3ns1 h PRO 100 N 1.67 0.40 -0.15 2.88 0.11 -1.96 -0.69 132.00 134.27 3ns1 h PRO 100 Ca -0.50 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3ns1 h PRO 100 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3ns1 h PRO 100 CO 0.59 0.26 -0.02 0.28 -0.21 0.00 0.00 178.00 178.90 3ns1 h VAL 101 N 0.41 0.87 0.32 3.15 2.07 -1.96 0.03 116.25 121.13 3ns1 h VAL 101 Ca 0.58 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 68.08 3ns1 h VAL 101 Cb 1.44 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3ns1 h VAL 101 CO -0.28 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 178.72 3ns1 h GLN 102 N 0.02 -0.41 -0.45 1.57 4.20 -1.55 -2.73 115.11 115.78 3ns1 h GLN 102 Ca 0.07 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.90 3ns1 h GLN 102 Cb 0.10 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 27.88 3ns1 h GLN 102 CO -0.14 -0.26 -0.27 1.49 -0.67 0.00 0.00 178.83 178.98 3ns1 h GLU 103 N -0.43 -0.17 -0.35 1.46 4.81 -1.12 -2.43 114.58 116.34 3ns1 h GLU 103 Ca -0.04 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3ns1 h GLU 103 Cb 0.33 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3ns1 h GLU 103 CO 0.07 -0.11 -0.00 0.00 -0.73 0.00 0.00 179.01 178.24 3ns1 h ARG 104 N -0.18 0.61 -0.74 1.92 2.47 -0.85 -1.74 114.38 115.87 3ns1 h ARG 104 Ca 0.20 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3ns1 h ARG 104 Cb 0.50 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 3ns1 h ARG 104 CO -0.55 0.73 0.33 0.97 0.56 0.00 0.00 179.97 182.01 3ns1 h ILE 105 N 0.42 1.25 0.91 2.04 2.10 -1.45 -1.80 117.51 120.98 3ns1 h ILE 105 Ca 0.10 -0.73 -0.04 0.00 1.08 0.00 0.00 64.86 65.27 3ns1 h ILE 105 Cb 0.46 0.35 0.01 0.00 -1.09 0.00 0.00 36.82 36.54 3ns1 h ILE 105 CO 0.02 0.30 -0.44 0.00 -1.08 0.00 0.00 178.15 176.95 3ns1 h ALA 106 N 1.16 -1.22 0.00 0.18 0.00 -1.16 -1.65 119.26 116.58 3ns1 h ALA 106 Ca 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ns1 h ALA 106 Cb 0.16 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ns1 h ALA 106 CO -0.03 -1.18 0.00 0.87 0.00 0.00 0.00 179.25 178.91 3ns1 h LYS 107 N -1.22 0.00 -0.22 0.00 1.57 -1.29 -2.65 116.57 112.76 3ns1 h LYS 107 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3ns1 h LYS 107 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3ns1 h LYS 107 CO 0.20 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.51 3ns1 n SER 108 N -2.65 1.60 -2.20 0.86 7.64 -0.68 -4.95 113.62 113.23 3ns1 n SER 108 Ca 0.01 -1.82 -0.19 0.00 1.01 0.00 0.00 58.87 57.89 3ns1 n SER 108 Cb 0.27 -0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.31 -1.01 1.27 1.43 8.25 -1.00 -4.79 115.22 119.68 3ns1 n HIS 109 Ca 0.14 0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.73 3ns1 n HIS 109 Cb 0.29 -3.72 0.21 0.00 1.12 0.00 0.00 29.99 27.89 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 -1.08 0.11 2.84 -1.41 0.00 -0.62 -4.76 105.19 100.27 3ns1 n GLY 110 Ca -0.20 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.18 1.08 0.00 1.61 0.15 -1.26 -4.78 113.70 109.32 3ns1 s SER 111 Ca 0.22 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.77 3ns1 s SER 111 Cb 0.11 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 3ns1 s SER 111 CO 0.16 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.49 3ns1 n GLN 112 N 4.42 0.00 0.22 5.44 6.02 -1.26 -4.81 117.38 127.41 3ns1 n GLN 112 Ca -0.19 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.88 3ns1 n GLN 112 Cb 0.50 0.00 0.49 0.00 1.02 0.00 0.00 30.24 32.26 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 -0.21 1.01 0.14 0.00 0.00 -1.26 -4.94 105.19 99.92 3ns1 n GLY 114 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.29 -0.00 1.61 3.57 -2.01 -3.13 116.94 117.27 3ns1 h PHE 115 Ca 0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3ns1 h PHE 115 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3ns1 h PHE 115 CO 0.00 0.90 -0.44 0.00 -2.23 0.00 0.00 178.31 176.53 3ns1 h THR 117 N 0.01 1.05 -0.80 0.00 2.02 -1.92 -2.18 112.91 111.08 3ns1 h THR 117 Ca 0.00 -0.10 0.16 0.00 0.77 0.00 0.00 66.41 67.24 3ns1 h THR 117 Cb 0.50 0.72 -0.10 0.00 -1.74 0.00 0.00 68.15 67.52 3ns1 h THR 117 CO 0.00 0.06 0.32 -0.65 0.37 0.00 0.00 175.52 175.62 3ns1 h PRO 118 N 0.30 0.42 -0.33 6.66 0.11 -1.80 -0.14 132.00 137.23 3ns1 h PRO 118 Ca 0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3ns1 h PRO 118 Cb -0.03 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3ns1 h PRO 118 CO -0.03 0.28 -0.15 0.78 -0.21 0.00 0.00 178.00 178.68 3ns1 h GLY 119 N 0.44 0.74 1.01 -0.55 0.00 -1.73 -1.76 103.07 101.22 3ns1 h GLY 119 Ca 0.46 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3ns1 h GLY 119 CO -0.44 0.60 0.24 -2.22 0.00 0.00 0.00 176.54 174.72 3ns1 h ILE 120 N 0.46 1.24 -0.91 2.60 2.04 -1.14 -2.04 117.51 119.76 3ns1 h ILE 120 Ca 0.08 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.23 3ns1 h ILE 120 Cb 0.67 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3ns1 h ILE 120 CO 0.05 0.30 0.56 0.58 0.00 0.00 0.00 178.15 179.64 3ns1 h VAL 121 N 0.91 1.03 0.00 1.67 2.07 -0.86 -1.62 116.25 119.44 3ns1 h VAL 121 Ca 0.21 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3ns1 h VAL 121 Cb 0.23 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3ns1 h VAL 121 CO -0.01 0.18 -0.47 0.24 0.02 0.00 0.00 177.57 177.53 3ns1 h MET 122 N 1.01 0.00 -0.30 1.57 2.86 -1.04 -1.60 114.93 117.43 3ns1 h MET 122 Ca 0.40 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.90 3ns1 h MET 122 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3ns1 h MET 122 CO -0.19 0.47 -0.40 0.77 1.06 0.00 0.00 176.91 178.62 3ns1 h SER 123 N 0.00 0.77 -0.19 1.22 0.02 -0.90 -2.07 113.55 112.40 3ns1 h SER 123 Ca -0.00 -0.35 -0.21 0.00 -0.84 0.00 0.00 61.79 60.39 3ns1 h SER 123 Cb 1.15 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.48 3ns1 h SER 123 CO 0.06 1.08 -0.68 -0.03 -1.14 0.00 0.00 176.83 176.12 3ns1 h MET 124 N 0.59 0.80 -0.39 3.45 -1.53 -1.14 -2.86 114.93 113.86 3ns1 h MET 124 Ca 0.05 -0.60 -0.09 0.00 -3.44 0.00 0.00 59.70 55.62 3ns1 h MET 124 Cb 0.94 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 32.09 3ns1 h MET 124 CO 0.09 1.22 -0.12 -0.92 0.14 0.00 0.00 176.91 177.32 3ns1 h TYR 125 N 0.54 0.75 -0.11 1.39 3.20 -1.33 -0.38 116.97 121.03 3ns1 h TYR 125 Ca -0.03 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3ns1 h TYR 125 Cb 1.31 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 3ns1 h TYR 125 CO 0.09 0.77 0.02 1.15 -1.64 0.00 0.00 178.16 178.54 3ns1 h THR 126 N 0.62 1.22 -0.48 1.81 2.02 -1.37 -2.09 112.91 114.64 3ns1 h THR 126 Ca 0.11 -0.68 0.09 0.00 0.77 0.00 0.00 66.41 66.70 3ns1 h THR 126 Cb 0.56 1.46 -0.08 0.00 -1.74 0.00 0.00 68.15 68.35 3ns1 h THR 126 CO 0.04 0.20 -0.04 0.25 0.37 0.00 0.00 175.52 176.33 3ns1 h LEU 127 N -0.05 -0.28 -1.03 2.58 5.85 -1.26 -2.44 115.31 118.69 3ns1 h LEU 127 Ca 0.03 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ns1 h LEU 127 Cb 0.29 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3ns1 h LEU 127 CO 0.00 -0.10 0.44 -0.07 -0.34 0.00 0.00 178.44 178.37 3ns1 h LEU 128 N 0.08 1.00 -1.82 2.25 3.38 -0.83 -1.06 115.31 118.30 3ns1 h LEU 128 Ca 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ns1 h LEU 128 Cb 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ns1 h LEU 128 CO -0.43 0.81 0.00 0.03 0.09 0.00 0.00 178.44 178.93 3ns1 h ARG 129 N 1.12 0.00 0.01 1.13 2.47 -0.90 -2.48 114.38 115.73 3ns1 h ARG 129 Ca 0.28 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.66 3ns1 h ARG 129 Cb 0.03 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.29 3ns1 h ARG 129 CO -0.05 0.00 -2.14 0.09 0.56 0.00 0.00 179.97 178.44 3ns1 n ASN 130 N -2.93 0.65 -3.32 7.04 3.02 -1.01 -4.83 115.26 113.88 3ns1 n ASN 130 Ca -0.00 0.14 -0.16 0.00 -0.03 0.00 0.00 54.58 54.53 3ns1 n ASN 130 Cb 0.21 0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.54 0.70 0.55 3.52 2.00 -0.43 -5.03 119.66 118.43 3ns1 s GLN 131 Ca -0.12 -0.96 0.25 0.00 -2.00 0.00 0.00 55.36 52.53 3ns1 s GLN 131 Cb 0.07 -0.71 1.45 0.00 0.80 0.00 0.00 33.01 34.62 3ns1 s GLN 131 CO 0.80 -1.22 2.05 -1.35 -0.50 0.00 0.00 175.29 175.07 3ns1 h PRO 132 N 6.82 0.00 -2.94 1.67 0.11 -1.70 -3.25 132.00 132.71 3ns1 h PRO 132 Ca 0.07 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.57 3ns1 h PRO 132 Cb 1.05 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.76 3ns1 h PRO 132 CO 0.19 0.00 -0.73 -1.83 -0.21 0.00 0.00 178.00 175.43 3ns1 s GLU 133 N -4.90 1.59 0.65 1.05 -1.05 -1.26 -5.01 118.70 109.76 3ns1 s GLU 133 Ca -0.05 -2.42 -0.05 0.00 -0.15 0.00 0.00 54.97 52.30 3ns1 s GLU 133 Cb 0.18 -2.55 0.04 0.00 -0.44 0.00 0.00 34.13 31.36 3ns1 s GLU 133 CO 0.66 -1.23 0.95 -1.25 0.95 0.00 0.00 175.26 175.34 3ns1 s PRO 134 N -0.22 2.45 0.54 -4.83 0.04 -1.23 -4.82 135.00 126.93 3ns1 s PRO 134 Ca 0.22 -0.25 -0.04 0.00 0.04 0.00 0.00 61.00 60.97 3ns1 s PRO 134 Cb -0.15 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 3ns1 s PRO 134 CO -0.07 -1.02 0.82 0.95 0.04 0.00 0.00 177.00 177.72 3ns1 s THR 135 N -3.11 3.95 0.31 1.26 -4.23 -1.26 -2.89 115.64 109.67 3ns1 s THR 135 Ca 0.58 -0.10 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 3ns1 s THR 135 Cb -0.11 -3.53 0.30 0.00 1.34 0.00 0.00 72.50 70.51 3ns1 s THR 135 CO 0.44 -0.49 1.79 0.58 -0.54 0.00 0.00 174.62 176.40 3ns1 h VAL 136 N 0.04 0.75 -0.35 2.29 2.07 -1.96 -2.26 116.25 116.83 3ns1 h VAL 136 Ca -0.46 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3ns1 h VAL 136 Cb 1.25 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3ns1 h VAL 136 CO 0.60 0.14 -0.02 -0.33 0.02 0.00 0.00 177.57 177.98 3ns1 h GLU 137 N 0.79 0.63 -0.60 1.57 3.07 -2.01 -1.95 114.58 116.08 3ns1 h GLU 137 Ca 0.56 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 3ns1 h GLU 137 Cb 0.84 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 3ns1 h GLU 137 CO -0.35 0.76 0.33 0.93 -1.40 0.00 0.00 179.01 179.29 3ns1 h GLU 138 N 0.43 0.82 0.65 2.33 5.08 -1.85 -2.92 114.58 119.12 3ns1 h GLU 138 Ca 0.10 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3ns1 h GLU 138 Cb 0.50 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.58 3ns1 h GLU 138 CO 0.02 0.60 -0.31 0.82 -1.00 0.00 0.00 179.01 179.14 3ns1 h ILE 139 N 0.83 0.27 -0.91 3.13 2.04 -0.90 -2.63 117.51 119.35 3ns1 h ILE 139 Ca 0.21 -0.21 0.17 0.00 1.00 0.00 0.00 64.86 66.03 3ns1 h ILE 139 Cb 0.01 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.33 3ns1 h ILE 139 CO -0.04 0.02 0.50 -0.08 0.00 0.00 0.00 178.15 178.56 3ns1 h GLU 140 N -1.04 0.65 0.00 2.37 4.81 -1.33 -2.10 114.58 117.95 3ns1 h GLU 140 Ca -0.09 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3ns1 h GLU 140 Cb 0.71 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3ns1 h GLU 140 CO 0.15 0.43 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.25 3ns1 h ASP 141 N 0.67 0.00 0.00 1.04 5.19 -1.45 -2.97 116.42 118.90 3ns1 h ASP 141 Ca 0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 3ns1 h ASP 141 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 3ns1 h ASP 141 CO -0.38 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 175.91 3ns1 n ALA 142 N -2.23 2.17 -0.19 3.45 0.00 -0.79 -3.41 120.51 119.51 3ns1 n ALA 142 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ns1 n ALA 142 Cb 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.88 0.00 0.24 0.00 0.99 -1.12 -4.75 117.46 111.94 3ns1 n PHE 143 Ca 0.11 -0.44 0.16 0.00 -0.00 0.00 0.00 57.45 57.28 3ns1 n PHE 143 Cb 0.05 -0.05 0.86 0.00 -1.00 0.00 0.00 39.48 39.34 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 -0.49 -1.08 4.20 -1.75 -1.45 115.11 114.53 3ns1 h GLN 144 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3ns1 h GLN 144 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3ns1 h GLN 144 CO 0.00 0.00 0.03 0.41 -0.67 0.00 0.00 178.83 178.60 3ns1 n GLY 145 N -1.38 3.44 3.05 3.46 0.00 -1.26 -4.91 105.19 107.59 3ns1 n GLY 145 Ca -0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.21 3.10 -0.04 1.61 0.01 -0.55 -2.58 114.94 115.28 3ns1 s ASN 146 Ca 0.51 -0.68 -0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3ns1 s ASN 146 Cb 0.40 -1.31 -0.04 0.00 0.41 0.00 0.00 41.25 40.71 3ns1 s ASN 146 CO 0.13 -0.06 0.06 -0.76 -1.51 0.00 0.00 177.10 174.95 3ns1 s LEU 147 N 1.38 3.82 -0.03 0.60 1.43 -0.57 -5.01 118.68 120.29 3ns1 s LEU 147 Ca 0.03 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3ns1 s LEU 147 Cb -0.14 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.01 3ns1 s LEU 147 CO -0.11 0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.79 3ns1 n ARG 149 N 4.13 0.43 -0.11 0.00 3.00 -1.26 -4.61 116.66 118.24 3ns1 n ARG 149 Ca -0.27 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.85 57.32 3ns1 n ARG 149 Cb 0.50 -1.44 -0.11 0.00 0.00 0.00 0.00 32.46 31.41 3ns1 n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ns1 h THR 151 N -0.77 0.00 -0.78 0.00 1.35 -1.95 -3.48 112.91 107.28 3ns1 h THR 151 Ca -0.52 -0.99 -0.33 0.00 -0.55 0.00 0.00 66.41 64.01 3ns1 h THR 151 Cb 1.57 1.56 -0.13 0.00 -1.73 0.00 0.00 68.15 69.42 3ns1 h THR 151 CO -0.25 0.00 -0.30 0.61 -0.25 0.00 0.00 175.52 175.33 3ns1 n GLY 152 N 1.17 1.59 4.45 5.82 0.00 -1.26 -4.56 105.19 112.40 3ns1 n GLY 152 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.39 0.00 -0.31 1.61 4.02 -1.26 -4.79 117.16 114.05 3ns1 n TYR 153 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.72 3ns1 n TYR 153 Cb 0.61 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.96 3ns1 n TYR 153 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3ns1 n ARG 154 N 0.00 -0.19 0.21 -0.72 0.00 -1.26 -1.33 116.66 113.38 3ns1 n ARG 154 Ca 0.00 1.23 0.09 0.00 -0.00 0.00 0.00 57.85 59.17 3ns1 n ARG 154 Cb 0.00 -1.83 0.45 0.00 0.00 0.00 0.00 32.46 31.08 3ns1 n ARG 154 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3ns1 h PRO 155 N 0.00 0.00 -0.11 -0.14 0.13 -1.86 -0.28 132.00 129.73 3ns1 h PRO 155 Ca 0.28 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.28 3ns1 h PRO 155 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3ns1 h PRO 155 CO -0.80 0.26 -0.43 0.82 -0.23 0.00 0.00 178.00 177.63 3ns1 h ILE 156 N 0.00 1.37 -0.33 -3.56 2.04 -1.51 -2.17 117.51 113.35 3ns1 h ILE 156 Ca -0.00 -1.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.06 3ns1 h ILE 156 Cb 0.74 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3ns1 h ILE 156 CO 0.03 0.52 -0.00 -0.07 0.00 0.00 0.00 178.15 178.63 3ns1 h LEU 157 N 0.09 0.57 -0.78 1.44 3.38 -1.15 -1.68 115.31 117.18 3ns1 h LEU 157 Ca -0.02 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3ns1 h LEU 157 Cb 1.06 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3ns1 h LEU 157 CO 0.09 0.74 0.46 -0.61 0.09 0.00 0.00 178.44 179.21 3ns1 h GLN 158 N 0.39 0.81 -0.39 1.13 4.15 -1.11 0.16 115.11 120.24 3ns1 h GLN 158 Ca 0.09 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 3ns1 h GLN 158 Cb 0.45 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3ns1 h GLN 158 CO 0.02 0.54 -0.12 0.78 -1.93 0.00 0.00 178.83 178.11 3ns1 h GLY 159 N 0.83 0.84 2.00 2.39 0.00 -1.30 -3.24 103.07 104.59 3ns1 h GLY 159 Ca 0.35 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3ns1 h GLY 159 CO -0.18 0.65 -0.53 0.74 0.00 0.00 0.00 176.54 177.22 3ns1 h PHE 160 N 0.58 0.00 0.00 5.60 0.04 -0.85 -3.23 116.94 119.08 3ns1 h PHE 160 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3ns1 h PHE 160 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 3ns1 h PHE 160 CO 0.05 0.53 0.03 -0.09 -0.60 0.00 0.00 178.31 178.23 3ns1 h ARG 161 N 0.00 0.00 0.00 1.51 2.43 -0.72 -0.66 114.38 116.94 3ns1 h ARG 161 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ns1 h ARG 161 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3ns1 h ARG 161 CO 0.07 0.00 0.14 -2.37 -1.51 0.00 0.00 179.97 176.29 3ns1 n THR 162 N -2.99 0.90 1.03 0.20 5.66 -1.22 -1.99 114.28 115.88 3ns1 n THR 162 Ca -0.03 0.72 0.12 0.00 -3.05 0.00 0.00 64.05 61.82 3ns1 n THR 162 Cb 0.10 -1.72 0.28 0.00 -1.55 0.00 0.00 70.33 67.44 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 0.14 -3.00 1.09 3.01 -0.25 -5.02 117.46 111.32 3ns1 n PHE 163 Ca -0.01 -0.07 -0.20 0.00 1.01 0.00 0.00 57.45 58.18 3ns1 n PHE 163 Cb 0.16 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.70 3ns1 n PHE 163 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ns1 s ALA 164 N -1.86 4.65 0.00 4.37 0.00 -0.84 -4.17 121.76 123.91 3ns1 s ALA 164 Ca 0.34 -2.15 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3ns1 s ALA 164 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3ns1 s ALA 164 CO 0.31 -0.95 0.00 1.63 0.00 0.00 0.00 175.76 176.74