#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3np1 s THR 3 N -2.77 1.50 -0.72 0.00 2.01 -1.26 -5.00 115.64 109.39 3np1 s THR 3 Ca 0.62 -0.72 0.15 0.00 0.31 0.00 0.00 61.69 62.05 3np1 s THR 3 Cb -0.06 -1.31 0.55 0.00 0.01 0.00 0.00 72.50 71.69 3np1 s THR 3 CO 0.40 0.43 1.46 0.29 -0.69 0.00 0.00 174.62 176.51 3np1 n LYS 4 N 3.42 3.28 0.00 4.92 4.01 -1.26 -4.44 118.16 128.10 3np1 n LYS 4 Ca -0.20 -2.65 0.11 0.00 -0.51 0.00 0.00 58.31 55.07 3np1 n LYS 4 Cb 0.53 -1.72 0.14 0.00 -0.51 0.00 0.00 35.03 33.47 3np1 n LYS 4 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3np1 n ASN 5 N 0.39 0.63 -4.64 4.39 3.02 -1.26 -4.94 115.26 112.85 3np1 n ASN 5 Ca 0.20 -0.41 -0.49 0.00 -0.03 0.00 0.00 54.58 53.85 3np1 n ASN 5 Cb 0.77 0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 40.36 3np1 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3np1 n ALA 6 N -1.53 0.30 -2.56 5.41 0.00 -1.26 -4.92 120.51 115.94 3np1 n ALA 6 Ca 0.05 0.47 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 3np1 n ALA 6 Cb 0.34 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 3np1 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3np1 s LEU 7 N 0.90 4.38 0.65 0.00 1.43 -1.26 -4.99 118.68 119.79 3np1 s LEU 7 Ca 0.82 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 3np1 s LEU 7 Cb -0.81 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3np1 s LEU 7 CO 0.43 0.10 1.06 0.00 0.23 0.00 0.00 176.35 178.17 3np1 s ALA 8 N -0.06 2.67 0.40 4.21 0.00 -1.26 -4.15 121.76 123.56 3np1 s ALA 8 Ca 0.29 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 3np1 s ALA 8 Cb -0.17 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3np1 s ALA 8 CO 0.15 -1.08 1.31 -1.14 0.00 0.00 0.00 175.76 175.00 3np1 s GLN 9 N -4.56 4.00 -0.26 0.00 0.74 0.19 -4.86 119.66 114.91 3np1 s GLN 9 Ca 0.61 2.18 -0.24 0.00 0.05 0.00 0.00 55.36 57.96 3np1 s GLN 9 Cb -0.15 -2.79 -0.00 0.00 1.10 0.00 0.00 33.01 31.17 3np1 s GLN 9 CO 0.46 -0.48 0.81 0.99 -0.55 0.00 0.00 175.29 176.53 3np1 s THR 10 N -1.25 4.83 -0.09 -0.34 2.01 -1.26 -3.30 115.64 116.24 3np1 s THR 10 Ca 0.56 1.46 -0.00 0.00 0.31 0.00 0.00 61.69 64.01 3np1 s THR 10 Cb -0.39 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.01 3np1 s THR 10 CO 0.50 -0.11 0.05 0.61 -0.69 0.00 0.00 174.62 174.98 3np1 n GLY 11 N 3.88 0.70 3.69 4.40 0.00 -1.26 -4.99 105.19 111.61 3np1 n GLY 11 Ca 0.05 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3np1 n GLY 11 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3np1 s PHE 12 N -2.73 2.65 -0.49 1.61 5.36 -1.21 -4.98 117.98 118.19 3np1 s PHE 12 Ca 0.03 0.57 -0.19 0.00 -0.96 0.00 0.00 56.93 56.37 3np1 s PHE 12 Cb -0.01 -3.82 0.05 0.00 -0.34 0.00 0.00 43.02 38.90 3np1 s PHE 12 CO 0.03 -3.17 0.61 1.21 -1.46 0.00 0.00 175.22 172.43 3np1 s ASN 13 N 2.11 6.24 0.29 6.13 3.84 -1.26 -4.92 114.94 127.36 3np1 s ASN 13 Ca 0.69 -0.79 0.08 0.00 0.21 0.00 0.00 52.86 53.05 3np1 s ASN 13 Cb -0.36 -2.29 0.42 0.00 -0.55 0.00 0.00 41.25 38.47 3np1 s ASN 13 CO 0.30 -0.84 1.66 0.07 -2.79 0.00 0.00 177.10 175.50 3np1 h LYS 14 N 8.95 0.12 0.00 0.43 2.10 -2.00 -3.06 116.57 123.11 3np1 h LYS 14 Ca -0.27 -0.07 -0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3np1 h LYS 14 Cb 1.10 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3np1 h LYS 14 CO 0.93 0.61 -0.01 -0.44 -2.00 0.00 0.00 179.45 178.54 3np1 h ASP 15 N 0.10 0.00 0.05 7.07 3.32 -1.91 0.12 116.42 125.17 3np1 h ASP 15 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3np1 h ASP 15 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3np1 h ASP 15 CO 0.07 0.01 -0.80 0.11 -1.72 0.00 0.00 179.24 176.92 3np1 h LYS 16 N 0.00 0.11 0.25 3.56 1.79 -1.96 -3.35 116.57 116.96 3np1 h LYS 16 Ca -0.00 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 3np1 h LYS 16 Cb 0.02 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3np1 h LYS 16 CO 0.00 1.09 -0.12 -0.92 -1.08 0.00 0.00 179.45 178.42 3np1 h TYR 17 N -0.71 -0.31 -1.08 -1.35 3.20 -1.49 -3.27 116.97 111.95 3np1 h TYR 17 Ca -0.18 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 61.15 3np1 h TYR 17 Cb 1.38 0.10 -0.17 0.00 1.54 0.00 0.00 36.73 39.58 3np1 h TYR 17 CO 0.18 -0.05 0.61 1.19 -1.64 0.00 0.00 178.16 178.45 3np1 n PHE 18 N -5.15 1.71 0.30 -3.82 3.72 0.02 -4.56 117.46 109.67 3np1 n PHE 18 Ca -0.09 -2.04 0.11 0.00 -0.05 0.00 0.00 57.45 55.38 3np1 n PHE 18 Cb 0.22 -1.43 0.26 0.00 -0.94 0.00 0.00 39.48 37.59 3np1 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3np1 n ASN 19 N 0.96 3.21 0.00 4.37 6.94 -1.17 -4.18 115.26 125.39 3np1 n ASN 19 Ca 0.50 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 3np1 n ASN 19 Cb 0.52 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 3np1 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3np1 n GLY 20 N 1.46 0.73 3.97 4.83 0.00 0.15 -4.95 105.19 111.39 3np1 n GLY 20 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3np1 n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3np1 s ASP 21 N -2.38 5.72 0.35 1.61 1.11 -1.25 -4.76 116.67 117.08 3np1 s ASP 21 Ca 0.00 -0.34 -0.20 0.00 0.18 0.00 0.00 52.55 52.19 3np1 s ASP 21 Cb 0.00 -0.95 -0.10 0.00 1.07 0.00 0.00 42.92 42.94 3np1 s ASP 21 CO 0.00 -0.56 0.86 -0.69 1.18 0.00 0.00 175.17 175.97 3np1 s VAL 22 N -2.27 4.46 -0.04 -1.27 1.01 -1.26 -3.31 120.40 117.71 3np1 s VAL 22 Ca 0.48 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.88 3np1 s VAL 22 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3np1 s VAL 22 CO 0.31 -0.13 -0.14 0.26 0.00 0.00 0.00 175.10 175.40 3np1 s TRP 23 N -1.94 1.48 0.09 5.22 0.52 -0.42 -4.62 118.94 119.26 3np1 s TRP 23 Ca 0.55 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 56.27 3np1 s TRP 23 Cb -0.12 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.14 3np1 s TRP 23 CO 0.17 -0.16 0.10 0.71 0.02 0.00 0.00 176.95 177.79 3np1 s TYR 24 N 0.15 3.22 -0.32 -1.98 1.51 0.03 -2.20 117.35 117.77 3np1 s TYR 24 Ca -0.05 0.09 -0.18 0.00 -1.01 0.00 0.00 57.07 55.92 3np1 s TYR 24 Cb -0.11 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 3np1 s TYR 24 CO 0.02 0.53 0.50 0.08 -1.11 0.00 0.00 175.55 175.57 3np1 s VAL 25 N -1.44 5.04 -0.18 0.71 1.01 -1.03 -1.19 120.40 123.33 3np1 s VAL 25 Ca 0.30 0.50 0.11 0.00 0.00 0.00 0.00 61.98 62.90 3np1 s VAL 25 Cb -0.12 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 3np1 s VAL 25 CO 0.23 -0.11 0.12 0.35 0.00 0.00 0.00 175.10 175.69 3np1 n THR 26 N 5.34 1.48 -3.85 3.92 -2.24 0.83 -4.72 114.28 115.04 3np1 n THR 26 Ca -0.05 -0.76 -0.11 0.00 -2.27 0.00 0.00 64.05 60.86 3np1 n THR 26 Cb 0.49 -0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 67.74 3np1 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3np1 s ASP 27 N -5.96 0.02 0.09 3.42 1.11 -1.16 -0.98 116.67 113.21 3np1 s ASP 27 Ca -0.16 -0.28 -0.17 0.00 0.18 0.00 0.00 52.55 52.12 3np1 s ASP 27 Cb 0.07 0.26 0.04 0.00 1.07 0.00 0.00 42.92 44.35 3np1 s ASP 27 CO 0.77 -0.48 0.41 -0.72 1.18 0.00 0.00 175.17 176.33 3np1 s TYR 28 N -2.02 -0.24 -0.12 4.23 -0.85 0.39 0.07 117.35 118.80 3np1 s TYR 28 Ca -0.09 0.06 -0.00 0.00 -0.52 0.00 0.00 57.07 56.51 3np1 s TYR 28 Cb -0.04 0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.57 3np1 s TYR 28 CO -0.01 -0.64 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.12 3np1 s LEU 29 N -2.42 1.30 -0.25 -3.49 2.96 0.11 -0.33 118.68 116.56 3np1 s LEU 29 Ca -0.01 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 3np1 s LEU 29 Cb 0.01 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 3np1 s LEU 29 CO -0.07 -0.12 0.16 -0.62 -1.32 0.00 0.00 176.35 174.38 3np1 s ASP 30 N 1.67 6.03 0.21 3.68 -1.08 -1.26 -1.10 116.67 124.82 3np1 s ASP 30 Ca 0.04 0.06 0.18 0.00 -0.52 0.00 0.00 52.55 52.31 3np1 s ASP 30 Cb -0.13 -2.10 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 3np1 s ASP 30 CO -0.08 0.03 1.18 -0.07 0.52 0.00 0.00 175.17 176.75 3np1 h LEU 31 N 7.81 0.00 -6.46 -1.34 -0.00 -1.90 -3.37 115.31 110.05 3np1 h LEU 31 Ca -0.37 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 56.87 3np1 h LEU 31 Cb 1.18 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.44 3np1 h LEU 31 CO 0.62 0.40 -0.36 -0.62 -0.00 0.00 0.00 178.44 178.47 3np1 n GLU 32 N -3.01 2.74 -0.21 1.13 4.71 -1.26 -4.96 120.64 119.78 3np1 n GLU 32 Ca -0.02 -4.63 -0.06 0.00 -0.01 0.00 0.00 57.16 52.44 3np1 n GLU 32 Cb 0.72 -2.31 0.05 0.00 -1.01 0.00 0.00 31.44 28.90 3np1 n GLU 32 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3np1 n PRO 33 N 1.12 -1.49 -2.72 3.49 -0.05 -1.26 -5.02 135.00 129.07 3np1 n PRO 33 Ca 0.28 -0.36 -0.11 0.00 -0.05 0.00 0.00 63.50 63.26 3np1 n PRO 33 Cb 0.39 -0.34 -0.01 0.00 -0.05 0.00 0.00 33.50 33.49 3np1 n PRO 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3np1 n ASP 34 N -3.39 2.13 -0.03 3.54 8.00 -1.26 -5.03 116.55 120.52 3np1 n ASP 34 Ca 0.03 -1.79 0.04 0.00 0.71 0.00 0.00 54.79 53.78 3np1 n ASP 34 Cb 0.12 0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 3np1 n ASP 34 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3np1 n ASP 35 N -1.49 0.78 -4.16 -2.24 8.00 -1.26 -4.61 116.55 111.56 3np1 n ASP 35 Ca -0.05 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.07 3np1 n ASP 35 Cb 0.24 1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 42.83 3np1 n ASP 35 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3np1 s VAL 36 N -3.01 4.62 0.04 2.53 -7.23 -1.26 -5.07 120.40 111.03 3np1 s VAL 36 Ca -0.07 -3.55 -0.34 0.00 -1.81 0.00 0.00 61.98 56.21 3np1 s VAL 36 Cb 0.10 -3.86 -0.13 0.00 0.56 0.00 0.00 36.38 33.05 3np1 s VAL 36 CO 0.75 -1.07 1.75 -2.65 -0.31 0.00 0.00 175.10 173.57 3np1 n PRO 37 N 2.69 2.24 -4.38 4.82 -0.02 -1.26 -5.01 135.00 134.08 3np1 n PRO 37 Ca 0.19 0.81 -0.28 0.00 -2.02 0.00 0.00 63.50 62.20 3np1 n PRO 37 Cb 0.38 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.11 3np1 n PRO 37 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3np1 s LYS 38 N 2.56 1.52 -0.69 -0.52 1.02 -1.26 -5.09 119.74 117.27 3np1 s LYS 38 Ca 0.85 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 55.37 3np1 s LYS 38 Cb -0.66 -1.93 0.18 0.00 -0.52 0.00 0.00 37.83 34.90 3np1 s LYS 38 CO 0.44 0.44 0.60 -0.98 -0.92 0.00 0.00 175.35 174.93 3np1 s ARG 39 N -2.24 3.14 0.37 1.68 1.70 -1.26 -5.07 118.95 117.27 3np1 s ARG 39 Ca 0.17 -2.24 -0.11 0.00 -0.47 0.00 0.00 55.73 53.08 3np1 s ARG 39 Cb -0.10 -4.21 -0.07 0.00 -0.57 0.00 0.00 34.95 30.01 3np1 s ARG 39 CO 0.08 -1.26 0.73 0.71 -1.08 0.00 0.00 175.30 174.48 3np1 s TYR 40 N 0.55 3.45 -0.05 5.89 1.51 -1.26 -4.26 117.35 123.18 3np1 s TYR 40 Ca 0.13 1.04 0.03 0.00 -1.01 0.00 0.00 57.07 57.26 3np1 s TYR 40 Cb -0.18 -2.42 0.01 0.00 -0.11 0.00 0.00 41.96 39.26 3np1 s TYR 40 CO -0.05 -0.02 -0.12 0.00 -1.11 0.00 0.00 175.55 174.26 3np1 s ALA 42 N 0.42 -0.87 0.18 0.00 0.00 -1.26 -0.49 121.76 119.73 3np1 s ALA 42 Ca -0.09 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 3np1 s ALA 42 Cb -0.13 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.39 3np1 s ALA 42 CO 0.02 -0.45 0.54 0.00 0.00 0.00 0.00 175.76 175.88 3np1 s ALA 43 N -2.58 -1.16 0.20 0.00 0.00 -0.46 -2.45 121.76 115.30 3np1 s ALA 43 Ca -0.05 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 3np1 s ALA 43 Cb -0.01 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.96 3np1 s ALA 43 CO -0.03 -0.79 0.41 -0.48 0.00 0.00 0.00 175.76 174.87 3np1 s LEU 44 N -2.83 0.51 -0.03 0.00 0.05 -0.94 -0.58 118.68 114.86 3np1 s LEU 44 Ca 0.06 -0.76 -0.01 0.00 0.05 0.00 0.00 54.13 53.47 3np1 s LEU 44 Cb -0.01 1.65 0.03 0.00 -2.05 0.00 0.00 46.19 45.81 3np1 s LEU 44 CO -0.06 -1.01 0.05 0.00 -0.55 0.00 0.00 176.35 174.77 3np1 s ALA 45 N -3.95 0.12 -0.03 1.48 0.00 -0.21 -1.30 121.76 117.87 3np1 s ALA 45 Ca 0.16 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.48 3np1 s ALA 45 Cb 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3np1 s ALA 45 CO 0.01 -0.27 -0.26 0.00 0.00 0.00 0.00 175.76 175.25 3np1 s ALA 46 N 1.52 2.17 0.00 0.00 0.00 -1.21 -0.77 121.76 123.47 3np1 s ALA 46 Ca -0.03 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3np1 s ALA 46 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3np1 s ALA 46 CO -0.03 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.65 3np1 n GLY 47 N 2.52 1.74 3.28 0.00 0.00 -0.96 0.31 105.19 112.09 3np1 n GLY 47 Ca -0.16 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 3np1 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3np1 s THR 48 N -2.49 1.82 -0.11 2.61 -4.23 -1.26 -0.72 115.64 111.26 3np1 s THR 48 Ca 0.00 -1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3np1 s THR 48 Cb 0.00 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 72.31 3np1 s THR 48 CO 0.00 0.23 0.25 0.00 -0.54 0.00 0.00 174.62 174.56 3np1 s ALA 49 N -0.84 -0.57 -1.43 3.99 0.00 0.18 -4.86 121.76 118.23 3np1 s ALA 49 Ca 0.09 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 3np1 s ALA 49 Cb -0.09 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.33 3np1 s ALA 49 CO 0.02 -0.29 0.48 0.43 0.00 0.00 0.00 175.76 176.40 3np1 n SER 50 N 4.47 -5.09 0.00 0.00 7.64 -1.26 -1.44 113.62 117.94 3np1 n SER 50 Ca -0.21 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.40 3np1 n SER 50 Cb 0.52 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 3np1 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3np1 n GLY 51 N -1.31 0.85 3.58 0.23 0.00 -1.26 -5.02 105.19 102.26 3np1 n GLY 51 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3np1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3np1 s LYS 52 N -0.04 2.18 -0.51 1.61 1.02 -0.52 -5.07 119.74 118.41 3np1 s LYS 52 Ca 0.00 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 54.72 3np1 s LYS 52 Cb 0.00 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 3np1 s LYS 52 CO 0.00 0.52 1.10 -0.51 -0.92 0.00 0.00 175.35 175.54 3np1 s LEU 53 N -2.10 3.69 0.31 3.17 1.43 -1.26 -0.65 118.68 123.27 3np1 s LEU 53 Ca 0.21 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 3np1 s LEU 53 Cb -0.11 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 3np1 s LEU 53 CO 0.13 -1.27 0.30 -0.54 0.23 0.00 0.00 176.35 175.19 3np1 s LYS 54 N 4.42 2.88 -0.13 1.70 1.02 0.10 -0.35 119.74 129.39 3np1 s LYS 54 Ca 0.43 -1.16 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 3np1 s LYS 54 Cb -0.08 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 3np1 s LYS 54 CO 0.28 0.19 0.33 -2.00 -0.92 0.00 0.00 175.35 173.24 3np1 s GLU 55 N -3.98 0.39 -0.13 1.68 2.12 -0.76 -2.26 118.70 115.75 3np1 s GLU 55 Ca 0.39 0.47 0.02 0.00 0.36 0.00 0.00 54.97 56.20 3np1 s GLU 55 Cb -0.07 0.19 0.02 0.00 0.26 0.00 0.00 34.13 34.52 3np1 s GLU 55 CO 0.27 -0.05 -0.17 0.00 -0.54 0.00 0.00 175.26 174.77 3np1 s ALA 56 N 0.20 1.95 0.15 6.30 0.00 0.05 -0.51 121.76 129.89 3np1 s ALA 56 Ca -0.00 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3np1 s ALA 56 Cb -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3np1 s ALA 56 CO 0.00 -0.15 0.16 -0.51 0.00 0.00 0.00 175.76 175.27 3np1 s LEU 57 N 1.07 3.93 -0.07 0.00 1.02 -0.72 -1.04 118.68 122.87 3np1 s LEU 57 Ca -0.03 -0.04 -0.04 0.00 0.02 0.00 0.00 54.13 54.04 3np1 s LEU 57 Cb -0.14 -2.54 0.04 0.00 0.02 0.00 0.00 46.19 43.56 3np1 s LEU 57 CO -0.05 0.08 0.17 -0.47 0.02 0.00 0.00 176.35 176.10 3np1 s TYR 58 N -1.69 -0.20 0.06 0.29 5.04 0.26 -2.54 117.35 118.56 3np1 s TYR 58 Ca 0.32 0.53 0.05 0.00 -2.44 0.00 0.00 57.07 55.53 3np1 s TYR 58 Cb -0.11 -0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.15 3np1 s TYR 58 CO 0.24 -0.16 -0.14 -1.01 -1.34 0.00 0.00 175.55 173.14 3np1 s HIS 59 N 0.97 1.23 -0.02 4.97 3.76 -0.97 -1.35 115.29 123.88 3np1 s HIS 59 Ca -0.07 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.30 3np1 s HIS 59 Cb -0.09 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 32.91 3np1 s HIS 59 CO -0.05 0.05 0.25 -0.47 -0.85 0.00 0.00 174.74 173.67 3np1 s TYR 60 N -1.12 -0.12 -0.26 1.40 5.04 0.35 -2.47 117.35 120.16 3np1 s TYR 60 Ca -0.01 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 3np1 s TYR 60 Cb -0.09 0.05 0.07 0.00 0.35 0.00 0.00 41.96 42.34 3np1 s TYR 60 CO 0.02 -0.33 -0.04 0.34 -1.34 0.00 0.00 175.55 174.20 3np1 s ASP 61 N -1.17 4.19 0.21 4.32 2.15 -0.50 -2.14 116.67 123.72 3np1 s ASP 61 Ca -0.12 -1.43 -0.10 0.00 0.43 0.00 0.00 52.55 51.32 3np1 s ASP 61 Cb -0.06 -1.34 0.27 0.00 -0.30 0.00 0.00 42.92 41.50 3np1 s ASP 61 CO 0.03 -0.26 1.72 1.55 -0.17 0.00 0.00 175.17 178.04 3np1 h PRO 62 N 7.85 0.28 0.25 4.34 0.13 -1.84 0.24 132.00 143.25 3np1 h PRO 62 Ca -0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3np1 h PRO 62 Cb 1.05 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 3np1 h PRO 62 CO 0.45 0.18 -0.48 -0.22 -0.23 0.00 0.00 178.00 177.70 3np1 h LYS 63 N 0.29 -0.76 0.00 0.86 1.63 -1.90 -3.17 116.57 113.52 3np1 h LYS 63 Ca 0.30 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3np1 h LYS 63 Cb 0.43 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 3np1 h LYS 63 CO -0.37 -0.51 -0.49 1.79 -3.45 0.00 0.00 179.45 176.42 3np1 h THR 64 N -0.79 0.00 0.00 1.00 1.35 -1.99 -3.47 112.91 109.02 3np1 h THR 64 Ca -0.03 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3np1 h THR 64 Cb 0.74 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3np1 h THR 64 CO -0.18 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 176.76 3np1 n GLN 65 N -2.31 -0.08 -1.78 4.72 7.27 0.83 -4.98 117.38 121.06 3np1 n GLN 65 Ca 0.03 0.02 -0.37 0.00 0.07 0.00 0.00 57.00 56.75 3np1 n GLN 65 Cb 0.46 -2.95 0.06 0.00 2.41 0.00 0.00 30.24 30.22 3np1 n GLN 65 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3np1 s ASP 66 N -2.64 4.84 -0.29 1.69 1.01 -1.23 -4.78 116.67 115.28 3np1 s ASP 66 Ca 0.00 2.65 -0.15 0.00 0.71 0.00 0.00 52.55 55.75 3np1 s ASP 66 Cb 0.00 -2.62 0.11 0.00 1.01 0.00 0.00 42.92 41.42 3np1 s ASP 66 CO 0.00 -1.85 0.80 0.28 0.21 0.00 0.00 175.17 174.61 3np1 s THR 67 N -1.38 -0.12 0.21 -1.27 -1.32 -1.26 -1.42 115.64 109.07 3np1 s THR 67 Ca 0.79 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.36 3np1 s THR 67 Cb -0.38 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.57 3np1 s THR 67 CO 0.41 0.00 -0.17 0.72 -2.21 0.00 0.00 174.62 173.38 3np1 s PHE 68 N 1.71 1.85 0.23 9.09 -0.71 -1.03 -4.99 117.98 124.13 3np1 s PHE 68 Ca -0.09 -0.50 0.10 0.00 -1.04 0.00 0.00 56.93 55.41 3np1 s PHE 68 Cb -0.05 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 40.84 3np1 s PHE 68 CO -0.18 0.42 -0.18 0.71 -1.34 0.00 0.00 175.22 174.64 3np1 s TYR 69 N -2.60 2.03 0.03 3.49 1.51 -1.25 -2.29 117.35 118.26 3np1 s TYR 69 Ca 0.22 -0.44 -0.15 0.00 -1.01 0.00 0.00 57.07 55.70 3np1 s TYR 69 Cb -0.03 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 3np1 s TYR 69 CO 0.08 0.53 0.32 -0.51 -1.11 0.00 0.00 175.55 174.86 3np1 s ASP 70 N -3.27 -0.16 -0.01 2.29 1.01 -1.05 -2.35 116.67 113.13 3np1 s ASP 70 Ca 0.25 -0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.44 3np1 s ASP 70 Cb -0.04 0.35 -0.00 0.00 1.01 0.00 0.00 42.92 44.24 3np1 s ASP 70 CO 0.11 -0.57 -0.07 -0.69 0.21 0.00 0.00 175.17 174.15 3np1 s VAL 71 N -2.21 0.57 0.13 -1.27 1.01 -0.82 -1.76 120.40 116.05 3np1 s VAL 71 Ca -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3np1 s VAL 71 Cb -0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3np1 s VAL 71 CO -0.01 0.16 -0.08 -0.44 0.00 0.00 0.00 175.10 174.73 3np1 s SER 72 N -0.15 1.49 -0.14 3.32 0.01 0.33 -2.30 113.70 116.27 3np1 s SER 72 Ca 0.02 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.29 3np1 s SER 72 Cb -0.03 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3np1 s SER 72 CO -0.00 -0.40 -0.19 -0.70 0.41 0.00 0.00 173.24 172.36 3np1 s GLU 73 N -3.79 3.10 -0.01 12.44 2.12 -1.25 -1.83 118.70 129.48 3np1 s GLU 73 Ca 0.15 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 3np1 s GLU 73 Cb 0.04 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 3np1 s GLU 73 CO -0.02 0.01 0.10 -0.51 -0.54 0.00 0.00 175.26 174.31 3np1 s LEU 74 N 0.78 3.99 -0.16 2.70 1.43 0.53 -3.23 118.68 124.72 3np1 s LEU 74 Ca -0.07 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3np1 s LEU 74 Cb -0.16 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3np1 s LEU 74 CO -0.00 0.28 -0.08 -1.10 0.23 0.00 0.00 176.35 175.67 3np1 s GLN 75 N -1.74 3.47 -0.52 1.70 -0.21 -0.06 -4.49 119.66 117.81 3np1 s GLN 75 Ca 0.23 -0.62 -0.24 0.00 0.02 0.00 0.00 55.36 54.75 3np1 s GLN 75 Cb -0.12 -2.81 0.04 0.00 1.00 0.00 0.00 33.01 31.11 3np1 s GLN 75 CO 0.14 0.11 0.92 -2.00 -2.12 0.00 0.00 175.29 172.34 3np1 s GLU 76 N 0.65 3.39 0.22 2.91 2.12 -1.26 -0.61 118.70 126.12 3np1 s GLU 76 Ca -0.05 -0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.10 3np1 s GLU 76 Cb -0.15 -4.01 0.19 0.00 0.26 0.00 0.00 34.13 30.43 3np1 s GLU 76 CO 0.02 -1.37 1.64 0.93 -0.54 0.00 0.00 175.26 175.94 3np1 h GLU 77 N 9.21 0.79 -2.17 4.30 4.39 -0.94 -3.47 114.58 126.69 3np1 h GLU 77 Ca -0.25 -0.31 0.19 0.00 0.34 0.00 0.00 59.36 59.33 3np1 h GLU 77 Cb 1.08 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.58 3np1 h GLU 77 CO 1.06 0.92 0.55 -1.54 -1.16 0.00 0.00 179.01 178.84 3np1 s SER 78 N -6.73 -0.19 -0.04 1.42 1.04 -1.15 -5.02 113.70 103.02 3np1 s SER 78 Ca -0.09 -0.28 -0.33 0.00 0.48 0.00 0.00 55.95 55.72 3np1 s SER 78 Cb 0.13 0.41 -0.12 0.00 0.10 0.00 0.00 66.02 66.55 3np1 s SER 78 CO 0.83 -0.74 1.86 -2.65 0.98 0.00 0.00 173.24 173.53 3np1 n PRO 79 N -0.42 2.29 -0.53 4.02 -0.02 -1.26 -0.91 135.00 138.17 3np1 n PRO 79 Ca -0.07 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3np1 n PRO 79 Cb 0.61 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3np1 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3np1 n GLY 80 N 4.32 0.85 2.98 -1.23 0.00 -1.26 -4.70 105.19 106.14 3np1 n GLY 80 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3np1 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3np1 s LYS 81 N -0.43 2.03 0.08 1.61 1.02 -0.09 0.10 119.74 124.06 3np1 s LYS 81 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.51 3np1 s LYS 81 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 3np1 s LYS 81 CO 0.00 -0.28 -0.11 0.71 -0.92 0.00 0.00 175.35 174.75 3np1 s TYR 82 N 1.54 1.05 -0.09 3.18 1.51 0.38 -0.21 117.35 124.71 3np1 s TYR 82 Ca 0.04 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3np1 s TYR 82 Cb -0.13 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 41.12 3np1 s TYR 82 CO -0.10 0.01 -0.14 0.99 -1.11 0.00 0.00 175.55 175.19 3np1 s THR 83 N -2.04 2.97 -0.14 -0.71 2.01 0.22 -0.35 115.64 117.61 3np1 s THR 83 Ca 0.02 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3np1 s THR 83 Cb -0.05 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.27 3np1 s THR 83 CO 0.01 0.55 -0.12 0.00 -0.69 0.00 0.00 174.62 174.37 3np1 s ALA 84 N -0.08 1.68 -0.49 7.40 0.00 0.17 -0.88 121.76 129.56 3np1 s ALA 84 Ca -0.02 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 3np1 s ALA 84 Cb -0.14 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 22.05 3np1 s ALA 84 CO 0.04 -0.37 0.53 -0.80 0.00 0.00 0.00 175.76 175.15 3np1 s ASN 85 N 1.52 6.19 0.43 0.00 -0.87 -1.20 -1.74 114.94 119.27 3np1 s ASN 85 Ca 0.04 -1.08 0.02 0.00 -1.57 0.00 0.00 52.86 50.27 3np1 s ASN 85 Cb -0.13 -2.25 -0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3np1 s ASN 85 CO -0.09 -0.79 0.62 0.72 -2.57 0.00 0.00 177.10 174.99 3np1 s PHE 86 N 2.22 3.14 0.00 2.20 -0.71 -1.26 -3.95 117.98 119.63 3np1 s PHE 86 Ca 0.10 0.06 0.01 0.00 -1.04 0.00 0.00 56.93 56.06 3np1 s PHE 86 Cb -0.21 -2.27 -0.01 0.00 -1.21 0.00 0.00 43.02 39.32 3np1 s PHE 86 CO 0.10 -0.32 -0.03 -1.59 -1.34 0.00 0.00 175.22 172.04 3np1 s LYS 87 N -4.46 0.24 0.17 1.99 -2.85 -0.97 -4.33 119.74 109.53 3np1 s LYS 87 Ca 0.48 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.95 3np1 s LYS 87 Cb -0.10 -0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.43 3np1 s LYS 87 CO 0.36 0.04 1.06 0.15 0.10 0.00 0.00 175.35 177.06 3np1 s LYS 88 N -0.35 4.64 0.21 1.78 1.02 -0.95 -1.95 119.74 124.14 3np1 s LYS 88 Ca -0.02 1.64 0.02 0.00 0.02 0.00 0.00 55.97 57.63 3np1 s LYS 88 Cb -0.03 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 3np1 s LYS 88 CO -0.00 0.15 0.04 0.14 -0.92 0.00 0.00 175.35 174.75 3np1 s VAL 89 N -0.30 0.64 0.51 3.17 -7.23 -0.99 -1.20 120.40 115.00 3np1 s VAL 89 Ca 0.48 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3np1 s VAL 89 Cb -0.28 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 3np1 s VAL 89 CO 0.34 -0.30 0.77 -1.61 -0.31 0.00 0.00 175.10 173.99 3np1 s GLU 90 N -3.96 3.04 0.15 4.82 0.41 0.45 -3.96 118.70 119.65 3np1 s GLU 90 Ca 0.29 -0.25 0.08 0.00 -0.41 0.00 0.00 54.97 54.68 3np1 s GLU 90 Cb 0.07 -2.43 0.42 0.00 -1.78 0.00 0.00 34.13 30.41 3np1 s GLU 90 CO 0.08 -0.43 1.15 0.36 -0.49 0.00 0.00 175.26 175.93 3np1 n LYS 91 N -2.29 0.05 0.00 1.61 2.85 -1.26 -0.51 118.16 118.62 3np1 n LYS 91 Ca 0.02 0.48 0.10 0.00 -1.05 0.00 0.00 58.31 57.87 3np1 n LYS 91 Cb 0.57 -1.81 -0.05 0.00 -0.65 0.00 0.00 35.03 33.09 3np1 n LYS 91 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3np1 n ASN 92 N -1.74 1.50 0.00 -5.58 0.23 -1.26 -4.90 115.26 103.52 3np1 n ASN 92 Ca -0.01 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 3np1 n ASN 92 Cb 0.15 0.72 0.00 0.00 -2.08 0.00 0.00 39.78 38.57 3np1 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3np1 n GLY 93 N 1.42 0.71 3.69 4.83 0.00 0.34 -5.04 105.19 111.14 3np1 n GLY 93 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3np1 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3np1 s ASN 94 N -1.74 6.86 -0.00 1.61 0.01 -1.26 -4.69 114.94 115.72 3np1 s ASN 94 Ca 0.00 2.12 -0.30 0.00 -0.71 0.00 0.00 52.86 53.96 3np1 s ASN 94 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 3np1 s ASN 94 CO 0.00 -0.71 1.40 -0.69 -1.51 0.00 0.00 177.10 175.59 3np1 s VAL 95 N 2.30 3.72 -0.26 1.60 1.01 -1.26 -0.41 120.40 127.09 3np1 s VAL 95 Ca 0.64 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 3np1 s VAL 95 Cb -0.32 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 3np1 s VAL 95 CO 0.27 -0.00 -0.34 0.29 0.00 0.00 0.00 175.10 175.31 3np1 n LYS 96 N 5.38 0.56 -3.87 2.72 5.02 -0.34 -4.85 118.16 122.77 3np1 n LYS 96 Ca 0.13 0.24 -0.30 0.00 -2.02 0.00 0.00 58.31 56.36 3np1 n LYS 96 Cb 0.44 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 3np1 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3np1 s VAL 97 N -2.53 1.67 1.25 -0.18 1.01 -1.18 -4.98 120.40 115.47 3np1 s VAL 97 Ca -0.36 -2.08 -0.18 0.00 0.00 0.00 0.00 61.98 59.35 3np1 s VAL 97 Cb 0.13 -2.23 0.27 0.00 0.00 0.00 0.00 36.38 34.55 3np1 s VAL 97 CO 0.46 -0.68 0.62 -0.67 0.00 0.00 0.00 175.10 174.84 3np1 n ASP 98 N 4.32 -3.18 -4.74 3.32 -0.08 -1.26 -2.24 116.55 112.69 3np1 n ASP 98 Ca 0.02 -0.51 -0.41 0.00 -1.51 0.00 0.00 54.79 52.38 3np1 n ASP 98 Cb 0.40 -0.98 -0.03 0.00 2.34 0.00 0.00 41.12 42.86 3np1 n ASP 98 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3np1 s VAL 99 N -2.17 3.21 -0.03 5.18 1.01 -1.26 -4.75 120.40 121.60 3np1 s VAL 99 Ca 0.57 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 3np1 s VAL 99 Cb -0.13 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3np1 s VAL 99 CO 0.53 0.15 0.08 0.42 0.00 0.00 0.00 175.10 176.28 3np1 s THR 100 N 0.10 0.01 0.22 3.92 -4.23 -1.26 -5.09 115.64 109.30 3np1 s THR 100 Ca 0.56 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.90 3np1 s THR 100 Cb -0.36 -0.13 0.25 0.00 1.34 0.00 0.00 72.50 73.60 3np1 s THR 100 CO 0.38 -0.03 1.62 0.28 -0.54 0.00 0.00 174.62 176.34 3np1 h SER 101 N 5.94 -0.58 0.00 3.99 0.02 -1.99 -2.17 113.55 118.75 3np1 h SER 101 Ca -0.25 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3np1 h SER 101 Cb 1.20 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.14 3np1 h SER 101 CO 0.46 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 3np1 n GLY 102 N -1.44 -0.89 3.12 -3.77 0.00 -1.26 -4.59 105.19 96.36 3np1 n GLY 102 Ca 0.08 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3np1 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3np1 s ASN 103 N -1.27 4.84 0.11 1.61 -0.87 -0.82 -0.82 114.94 117.74 3np1 s ASN 103 Ca 0.07 -1.58 -0.25 0.00 -1.57 0.00 0.00 52.86 49.53 3np1 s ASN 103 Cb 0.03 -1.69 0.07 0.00 -0.02 0.00 0.00 41.25 39.65 3np1 s ASN 103 CO 0.06 -0.32 0.78 -0.72 -2.57 0.00 0.00 177.10 174.33 3np1 s TYR 104 N 1.14 -0.36 0.01 2.20 1.13 0.12 -4.10 117.35 117.50 3np1 s TYR 104 Ca -0.01 0.13 0.02 0.00 -1.41 0.00 0.00 57.07 55.79 3np1 s TYR 104 Cb -0.20 0.58 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 3np1 s TYR 104 CO -0.04 -0.78 -0.06 1.52 -2.51 0.00 0.00 175.55 173.68 3np1 s TYR 105 N -3.46 0.52 0.07 -3.49 -0.85 -0.71 0.70 117.35 110.11 3np1 s TYR 105 Ca 0.06 -0.22 0.07 0.00 -0.52 0.00 0.00 57.07 56.45 3np1 s TYR 105 Cb -0.02 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 3np1 s TYR 105 CO -0.06 -0.03 -0.15 0.95 -1.52 0.00 0.00 175.55 174.73 3np1 s THR 106 N -0.54 3.03 -0.01 -3.49 -4.23 -0.76 0.43 115.64 110.07 3np1 s THR 106 Ca -0.02 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 3np1 s THR 106 Cb -0.05 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3np1 s THR 106 CO -0.00 0.25 0.31 0.72 -0.54 0.00 0.00 174.62 175.36 3np1 s PHE 107 N -1.04 -0.18 -0.12 3.99 -0.71 0.53 -1.51 117.98 118.93 3np1 s PHE 107 Ca 0.17 0.27 0.03 0.00 -1.04 0.00 0.00 56.93 56.35 3np1 s PHE 107 Cb -0.11 0.10 -0.00 0.00 -1.21 0.00 0.00 43.02 41.80 3np1 s PHE 107 CO 0.08 -0.39 -0.20 0.99 -1.34 0.00 0.00 175.22 174.36 3np1 s THR 108 N -1.33 2.36 -0.53 -4.49 2.01 -0.74 -0.47 115.64 112.45 3np1 s THR 108 Ca -0.14 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.73 3np1 s THR 108 Cb -0.05 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.56 3np1 s THR 108 CO 0.04 0.55 0.88 -0.69 -0.69 0.00 0.00 174.62 174.71 3np1 s VAL 109 N 0.42 4.48 0.06 3.82 1.01 0.11 -1.51 120.40 128.79 3np1 s VAL 109 Ca -0.15 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3np1 s VAL 109 Cb -0.17 -4.48 -0.28 0.00 0.00 0.00 0.00 36.38 31.45 3np1 s VAL 109 CO 0.06 -1.03 1.06 0.24 0.00 0.00 0.00 175.10 175.44 3np1 h MET 110 N 9.23 0.24 -2.82 2.72 2.86 -1.43 0.54 114.93 126.28 3np1 h MET 110 Ca -0.26 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 56.85 3np1 h MET 110 Cb 1.08 0.16 -0.21 0.00 0.06 0.00 0.00 31.60 32.68 3np1 h MET 110 CO 1.06 1.16 -0.20 -0.47 1.06 0.00 0.00 176.91 179.52 3np1 s TYR 111 N -2.65 -0.32 -0.28 -0.22 5.04 -1.06 -3.52 117.35 114.35 3np1 s TYR 111 Ca -0.05 0.62 -0.25 0.00 -2.44 0.00 0.00 57.07 54.95 3np1 s TYR 111 Cb 0.07 0.15 0.11 0.00 0.35 0.00 0.00 41.96 42.64 3np1 s TYR 111 CO 0.87 -0.37 0.95 0.00 -1.34 0.00 0.00 175.55 175.66 3np1 s ALA 112 N -0.86 -1.92 0.00 3.97 0.00 -1.26 -1.38 121.76 120.31 3np1 s ALA 112 Ca -0.09 1.92 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3np1 s ALA 112 Cb -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3np1 s ALA 112 CO 0.04 -0.26 0.00 -0.40 0.00 0.00 0.00 175.76 175.13 3np1 n ASP 113 N 2.36 0.00 0.02 0.00 5.68 0.27 -4.92 116.55 119.96 3np1 n ASP 113 Ca -0.13 -0.58 0.04 0.00 -0.50 0.00 0.00 54.79 53.62 3np1 n ASP 113 Cb 0.56 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.73 3np1 n ASP 113 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3np1 n ASP 114 N -1.71 0.09 0.00 -1.12 9.92 -1.26 -3.79 116.55 118.68 3np1 n ASP 114 Ca 0.00 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 3np1 n ASP 114 Cb 0.00 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 3np1 n ASP 114 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3np1 n SER 115 N -1.61 0.00 -3.98 -2.24 3.41 -1.26 -4.89 113.62 103.05 3np1 n SER 115 Ca 0.01 -0.67 -0.08 0.00 -0.26 0.00 0.00 58.87 57.87 3np1 n SER 115 Cb 0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 3np1 n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3np1 s SER 116 N 0.00 0.27 -0.11 4.04 1.04 -1.25 -1.65 113.70 116.04 3np1 s SER 116 Ca 0.00 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.28 3np1 s SER 116 Cb 0.00 0.29 0.12 0.00 0.10 0.00 0.00 66.02 66.53 3np1 s SER 116 CO 0.00 -0.69 0.99 0.00 0.98 0.00 0.00 173.24 174.52 3np1 s ALA 117 N -3.91 -1.91 -0.09 5.32 0.00 -0.73 -0.56 121.76 119.88 3np1 s ALA 117 Ca 0.08 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3np1 s ALA 117 Cb 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3np1 s ALA 117 CO -0.09 -0.46 -0.13 -1.17 0.00 0.00 0.00 175.76 173.91 3np1 s LEU 118 N -1.66 1.60 0.12 0.00 2.96 -0.48 -0.20 118.68 121.02 3np1 s LEU 118 Ca 0.02 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3np1 s LEU 118 Cb -0.01 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 3np1 s LEU 118 CO -0.03 0.01 -0.11 0.27 -1.32 0.00 0.00 176.35 175.17 3np1 s ILE 119 N 0.91 1.11 -0.07 6.68 -4.36 -0.74 -1.50 121.20 123.23 3np1 s ILE 119 Ca -0.09 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 3np1 s ILE 119 Cb -0.15 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.02 3np1 s ILE 119 CO 0.00 -0.56 -0.15 -2.28 0.24 0.00 0.00 174.94 172.20 3np1 s HIS 120 N -2.54 2.69 -0.01 1.37 5.65 -0.57 -1.39 115.29 120.48 3np1 s HIS 120 Ca 0.09 -0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.10 3np1 s HIS 120 Cb -0.02 -1.67 0.00 0.00 -1.18 0.00 0.00 32.58 29.71 3np1 s HIS 120 CO 0.01 0.06 -0.05 -0.08 -0.65 0.00 0.00 174.74 174.03 3np1 s THR 121 N -0.45 0.44 -0.15 0.89 -1.32 0.15 -1.78 115.64 113.42 3np1 s THR 121 Ca 0.05 -0.19 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 3np1 s THR 121 Cb -0.12 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3np1 s THR 121 CO 0.02 0.14 -0.15 0.00 -2.21 0.00 0.00 174.62 172.42 3np1 s LEU 123 N 1.37 4.23 -0.26 0.00 2.96 -1.25 -1.83 118.68 123.91 3np1 s LEU 123 Ca 0.03 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3np1 s LEU 123 Cb -0.13 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.15 3np1 s LEU 123 CO -0.09 0.05 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.93 3np1 s HIS 124 N 0.68 3.11 -0.17 5.38 3.76 0.22 -1.11 115.29 127.15 3np1 s HIS 124 Ca 0.18 -1.68 -0.02 0.00 -0.15 0.00 0.00 55.06 53.39 3np1 s HIS 124 Cb -0.14 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.55 3np1 s HIS 124 CO 0.06 -0.76 0.00 0.15 -0.85 0.00 0.00 174.74 173.34 3np1 s LYS 125 N 1.29 0.93 0.00 1.40 -0.14 -1.20 0.16 119.74 122.17 3np1 s LYS 125 Ca -0.01 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 3np1 s LYS 125 Cb -0.17 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 3np1 s LYS 125 CO -0.04 -0.54 0.00 0.41 -0.76 0.00 0.00 175.35 174.42 3np1 n GLY 126 N 4.99 0.68 2.64 -3.33 0.00 -0.69 -2.92 105.19 106.56 3np1 n GLY 126 Ca -0.10 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 3np1 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3np1 n ASN 127 N 1.70 -4.93 -2.81 1.61 3.02 0.00 -4.91 115.26 108.94 3np1 n ASN 127 Ca 0.00 0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.69 3np1 n ASN 127 Cb 0.48 -3.57 0.02 0.00 -0.61 0.00 0.00 39.78 36.10 3np1 n ASN 127 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3np1 n LYS 128 N -0.50 0.73 -3.72 3.52 4.81 -1.15 -5.11 118.16 116.74 3np1 n LYS 128 Ca -0.08 -0.87 -0.26 0.00 -0.87 0.00 0.00 58.31 56.24 3np1 n LYS 128 Cb 0.50 -0.11 -0.17 0.00 0.02 0.00 0.00 35.03 35.27 3np1 n LYS 128 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3np1 s ASP 129 N -2.09 2.35 0.00 3.14 1.01 -1.26 -3.28 116.67 116.54 3np1 s ASP 129 Ca 0.18 -0.53 0.18 0.00 0.71 0.00 0.00 52.55 53.09 3np1 s ASP 129 Cb -0.01 -0.47 0.76 0.00 1.01 0.00 0.00 42.92 44.20 3np1 s ASP 129 CO 0.12 -0.28 1.53 0.18 0.21 0.00 0.00 175.17 176.93 3np1 n LEU 130 N 5.13 1.06 0.00 1.23 4.32 -0.27 -4.90 117.00 123.57 3np1 n LEU 130 Ca -0.08 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.45 3np1 n LEU 130 Cb 0.48 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3np1 n LEU 130 CO 0.11 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 3np1 n GLY 131 N 0.97 -0.88 3.74 -0.72 0.00 -1.26 -4.82 105.19 102.24 3np1 n GLY 131 Ca 0.14 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 3np1 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3np1 s ASP 132 N -2.83 4.95 -0.29 1.61 1.01 -1.26 -3.74 116.67 116.12 3np1 s ASP 132 Ca 0.00 2.54 -0.15 0.00 0.71 0.00 0.00 52.55 55.66 3np1 s ASP 132 Cb 0.00 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.45 3np1 s ASP 132 CO 0.00 -1.77 0.85 -0.22 0.21 0.00 0.00 175.17 174.25 3np1 s LEU 133 N -4.12 -0.74 -0.08 1.23 2.96 -0.90 -2.76 118.68 114.27 3np1 s LEU 133 Ca 0.79 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.82 3np1 s LEU 133 Cb -0.35 1.97 -0.03 0.00 0.50 0.00 0.00 46.19 48.29 3np1 s LEU 133 CO 0.38 -0.17 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.83 3np1 s TYR 134 N 1.98 2.86 -0.01 5.38 2.02 -0.26 0.30 117.35 129.61 3np1 s TYR 134 Ca -0.07 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3np1 s TYR 134 Cb -0.06 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.76 3np1 s TYR 134 CO -0.17 0.14 -0.06 0.00 -1.57 0.00 0.00 175.55 173.89 3np1 s ALA 135 N -0.43 0.58 -0.21 3.71 0.00 -0.49 0.07 121.76 124.99 3np1 s ALA 135 Ca 0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 3np1 s ALA 135 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3np1 s ALA 135 CO 0.02 0.12 0.32 0.08 0.00 0.00 0.00 175.76 176.30 3np1 s VAL 136 N -0.01 5.26 0.15 0.00 1.01 0.11 -1.80 120.40 125.12 3np1 s VAL 136 Ca 0.01 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.59 3np1 s VAL 136 Cb -0.04 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3np1 s VAL 136 CO -0.00 0.29 -0.07 -0.76 0.00 0.00 0.00 175.10 174.56 3np1 s LEU 137 N 1.19 3.11 -0.03 3.92 1.43 0.73 -0.12 118.68 128.91 3np1 s LEU 137 Ca 0.15 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3np1 s LEU 137 Cb -0.14 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3np1 s LEU 137 CO 0.07 0.12 0.24 0.21 0.23 0.00 0.00 176.35 177.22 3np1 s ASN 138 N -2.67 -0.14 0.23 2.29 3.84 -0.33 -1.78 114.94 116.39 3np1 s ASN 138 Ca 0.25 0.10 0.23 0.00 0.21 0.00 0.00 52.86 53.64 3np1 s ASN 138 Cb -0.10 0.33 0.95 0.00 -0.55 0.00 0.00 41.25 41.88 3np1 s ASN 138 CO 0.16 -0.33 1.70 0.54 -2.79 0.00 0.00 177.10 176.37 3np1 n ARG 139 N 1.76 0.18 -5.05 0.43 5.12 -0.66 -0.79 116.66 117.65 3np1 n ARG 139 Ca -0.20 0.40 -0.32 0.00 -1.93 0.00 0.00 57.85 55.79 3np1 n ARG 139 Cb 0.56 -1.84 -0.16 0.00 -1.16 0.00 0.00 32.46 29.87 3np1 n ARG 139 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3np1 s ASN 140 N -4.16 3.45 0.34 0.55 -0.87 -1.26 -4.82 114.94 108.17 3np1 s ASN 140 Ca 0.05 -0.46 0.26 0.00 -1.57 0.00 0.00 52.86 51.14 3np1 s ASN 140 Cb 0.10 -1.44 0.91 0.00 -0.02 0.00 0.00 41.25 40.80 3np1 s ASN 140 CO 0.39 0.17 1.77 0.07 -2.57 0.00 0.00 177.10 176.94 3np1 h LYS 141 N 6.64 0.00 -0.66 -0.60 2.10 -1.95 -3.13 116.57 118.96 3np1 h LYS 141 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3np1 h LYS 141 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3np1 h LYS 141 CO 0.50 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.70 3np1 n ASP 142 N -2.59 3.76 -4.72 7.07 8.00 -1.26 -4.93 116.55 121.88 3np1 n ASP 142 Ca 0.03 -2.00 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 3np1 n ASP 142 Cb 0.36 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 3np1 n ASP 142 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3np1 s THR 143 N -1.01 5.31 0.67 -3.53 2.01 -1.19 -5.07 115.64 112.84 3np1 s THR 143 Ca 0.44 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.82 3np1 s THR 143 Cb 0.23 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 3np1 s THR 143 CO 0.30 0.38 1.05 0.20 -0.69 0.00 0.00 174.62 175.85 3np1 s ASN 144 N 0.57 5.67 0.08 3.53 0.01 -1.26 -4.97 114.94 118.56 3np1 s ASN 144 Ca 0.15 1.55 -0.31 0.00 -0.71 0.00 0.00 52.86 53.54 3np1 s ASN 144 Cb -0.13 -2.49 -0.08 0.00 0.41 0.00 0.00 41.25 38.97 3np1 s ASN 144 CO 0.04 -1.25 1.53 0.00 -1.51 0.00 0.00 177.10 175.90 3np1 s ALA 145 N -3.09 3.66 1.06 0.60 0.00 -1.26 -5.01 121.76 117.71 3np1 s ALA 145 Ca 0.57 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.51 3np1 s ALA 145 Cb -0.13 -3.63 0.23 0.00 0.00 0.00 0.00 23.12 19.59 3np1 s ALA 145 CO 0.55 -0.91 1.20 0.41 0.00 0.00 0.00 175.76 177.01 3np1 n GLY 146 N 3.77 -1.80 0.20 0.00 0.00 -1.26 -4.88 105.19 101.22 3np1 n GLY 146 Ca 0.14 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.55 3np1 n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3np1 h ASP 147 N -1.89 0.00 0.21 1.61 3.32 -1.98 -2.92 116.42 114.77 3np1 h ASP 147 Ca -0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3np1 h ASP 147 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3np1 h ASP 147 CO 0.28 0.33 -0.10 0.11 -1.72 0.00 0.00 179.24 178.14 3np1 h LYS 148 N 0.00 -0.27 -0.90 3.56 1.57 -1.99 -1.93 116.57 116.61 3np1 h LYS 148 Ca -0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3np1 h LYS 148 Cb 0.65 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3np1 h LYS 148 CO 0.04 0.11 0.53 -0.39 -0.57 0.00 0.00 179.45 179.17 3np1 h VAL 149 N -0.77 1.25 0.00 0.50 -1.51 -1.95 -1.29 116.25 112.48 3np1 h VAL 149 Ca -0.03 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 64.86 3np1 h VAL 149 Cb 0.51 -0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.67 3np1 h VAL 149 CO 0.05 0.27 -0.04 0.11 -1.23 0.00 0.00 177.57 176.73 3np1 h LYS 150 N 1.25 0.00 0.00 5.19 1.57 -1.56 0.25 116.57 123.27 3np1 h LYS 150 Ca 0.32 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.89 3np1 h LYS 150 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3np1 h LYS 150 CO -0.06 0.04 -1.03 0.78 -0.57 0.00 0.00 179.45 178.61 3np1 h GLY 151 N 1.05 0.00 1.45 3.86 0.00 -0.43 -2.69 103.07 106.31 3np1 h GLY 151 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3np1 h GLY 151 CO 0.01 0.00 -0.64 0.00 0.00 0.00 0.00 176.54 175.90 3np1 h ALA 152 N 1.06 0.59 -0.34 3.60 0.00 -0.32 -0.73 119.26 123.11 3np1 h ALA 152 Ca -0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3np1 h ALA 152 Cb 1.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3np1 h ALA 152 CO 0.12 0.71 0.21 0.28 0.00 0.00 0.00 179.25 180.57 3np1 h VAL 153 N 0.41 1.11 -0.46 0.00 2.07 -0.98 -2.33 116.25 116.06 3np1 h VAL 153 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3np1 h VAL 153 Cb 1.21 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3np1 h VAL 153 CO 0.12 0.11 0.22 0.74 0.02 0.00 0.00 177.57 178.78 3np1 h THR 154 N 0.45 1.19 -0.03 2.57 2.02 -1.32 -1.13 112.91 116.67 3np1 h THR 154 Ca 0.12 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3np1 h THR 154 Cb -0.00 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3np1 h THR 154 CO -0.02 0.21 0.11 0.00 0.37 0.00 0.00 175.52 176.19 3np1 h ALA 155 N 1.06 1.26 -0.61 6.16 0.00 -0.74 -0.84 119.26 125.55 3np1 h ALA 155 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3np1 h ALA 155 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3np1 h ALA 155 CO -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3np1 n ALA 156 N -2.10 2.75 -2.39 0.00 0.00 -0.45 -4.91 120.51 113.41 3np1 n ALA 156 Ca -0.02 -1.27 -0.17 0.00 0.00 0.00 0.00 53.44 51.98 3np1 n ALA 156 Cb 0.18 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 3np1 n ALA 156 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3np1 n SER 157 N 1.16 -4.92 -4.83 0.00 7.64 -0.32 -5.01 113.62 107.34 3np1 n SER 157 Ca 0.22 -0.05 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 3np1 n SER 157 Cb 0.68 -3.99 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 3np1 n SER 157 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3np1 s LEU 158 N -4.81 3.40 -0.20 -3.43 1.43 -1.07 -5.05 118.68 108.95 3np1 s LEU 158 Ca 0.03 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3np1 s LEU 158 Cb -0.01 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3np1 s LEU 158 CO 0.04 -0.51 -0.15 -0.54 0.23 0.00 0.00 176.35 175.42 3np1 s LYS 159 N -4.03 3.10 0.63 1.70 1.02 -1.26 -4.29 119.74 116.60 3np1 s LYS 159 Ca 0.44 -0.78 0.40 0.00 0.02 0.00 0.00 55.97 56.05 3np1 s LYS 159 Cb -0.03 -2.72 2.10 0.00 -0.52 0.00 0.00 37.83 36.66 3np1 s LYS 159 CO 0.26 -0.22 2.27 0.35 -0.92 0.00 0.00 175.35 177.10 3np1 h PHE 160 N 7.99 0.00 0.00 3.18 3.57 -1.92 -0.46 116.94 129.30 3np1 h PHE 160 Ca -0.44 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 3np1 h PHE 160 Cb 1.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 3np1 h PHE 160 CO 0.51 0.01 -0.06 0.77 -2.23 0.00 0.00 178.31 177.31 3np1 h SER 161 N 0.00 0.00 0.97 0.41 0.02 -2.03 -1.35 113.55 111.58 3np1 h SER 161 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3np1 h SER 161 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3np1 h SER 161 CO 0.00 0.06 -0.71 0.44 -1.14 0.00 0.00 176.83 175.48 3np1 h ASP 162 N 0.00 0.00 -3.96 3.07 3.32 -1.50 -3.46 116.42 113.89 3np1 h ASP 162 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3np1 h ASP 162 Cb 0.12 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.78 3np1 h ASP 162 CO 0.01 0.71 0.69 -0.36 -1.72 0.00 0.00 179.24 178.57 3np1 s PHE 163 N -3.12 2.61 0.01 4.55 0.40 -0.51 -4.86 117.98 117.05 3np1 s PHE 163 Ca 0.01 1.30 -0.07 0.00 -0.60 0.00 0.00 56.93 57.57 3np1 s PHE 163 Cb 0.10 -3.85 -0.05 0.00 0.51 0.00 0.00 43.02 39.73 3np1 s PHE 163 CO 0.77 -2.65 0.27 0.42 0.70 0.00 0.00 175.22 174.73 3np1 s ILE 164 N -1.20 5.30 0.00 0.64 1.09 0.55 -4.84 121.20 122.74 3np1 s ILE 164 Ca 0.58 0.18 -0.01 0.00 -1.10 0.00 0.00 60.65 60.30 3np1 s ILE 164 Cb -0.42 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.37 3np1 s ILE 164 CO 0.55 0.37 0.13 -0.55 -0.10 0.00 0.00 174.94 175.35 3np1 s SER 165 N -1.67 6.00 0.00 3.58 0.15 -1.26 -0.46 113.70 120.03 3np1 s SER 165 Ca 0.27 0.23 0.18 0.00 0.70 0.00 0.00 55.95 57.33 3np1 s SER 165 Cb -0.13 -1.80 0.42 0.00 -1.71 0.00 0.00 66.02 62.81 3np1 s SER 165 CO 0.16 0.25 1.35 0.35 1.20 0.00 0.00 173.24 176.55 3np1 n THR 166 N 0.97 0.73 0.18 6.45 -2.24 -0.15 -4.72 114.28 115.50 3np1 n THR 166 Ca -0.11 -0.87 -0.14 0.00 -2.27 0.00 0.00 64.05 60.66 3np1 n THR 166 Cb 0.52 0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 3np1 n THR 166 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3np1 h LYS 167 N 3.53 -0.41 -1.84 -0.78 3.64 -1.92 -3.15 116.57 115.65 3np1 h LYS 167 Ca 0.00 0.03 -0.46 0.00 -1.27 0.00 0.00 60.65 58.94 3np1 h LYS 167 Cb 0.87 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 32.61 3np1 h LYS 167 CO 0.00 -0.20 0.43 -0.25 -2.27 0.00 0.00 179.45 177.16 3np1 n ASP 168 N -5.22 6.54 -0.26 4.20 8.00 -1.26 -4.15 116.55 124.39 3np1 n ASP 168 Ca -0.10 -3.20 0.05 0.00 0.71 0.00 0.00 54.79 52.25 3np1 n ASP 168 Cb 0.22 -1.17 0.01 0.00 -0.02 0.00 0.00 41.12 40.15 3np1 n ASP 168 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3np1 n ASN 169 N 0.65 1.33 -3.58 -2.24 5.03 -1.19 -5.01 115.26 110.26 3np1 n ASN 169 Ca 0.45 -1.17 -0.21 0.00 0.87 0.00 0.00 54.58 54.52 3np1 n ASN 169 Cb 0.56 0.39 0.07 0.00 -1.02 0.00 0.00 39.78 39.77 3np1 n ASN 169 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3np1 n LYS 170 N -0.10 -6.53 -2.42 3.52 4.76 -1.26 -4.70 118.16 111.43 3np1 n LYS 170 Ca 0.05 0.77 -0.40 0.00 -2.87 0.00 0.00 58.31 55.85 3np1 n LYS 170 Cb 0.22 -5.70 -0.04 0.00 -1.84 0.00 0.00 35.03 27.67 3np1 n LYS 170 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3np1 s GLU 172 N -1.43 1.72 0.24 0.00 0.41 -1.26 -5.14 118.70 113.24 3np1 s GLU 172 Ca 0.45 -1.16 0.05 0.00 -0.41 0.00 0.00 54.97 53.90 3np1 s GLU 172 Cb -0.33 -1.98 -0.05 0.00 -1.78 0.00 0.00 34.13 29.99 3np1 s GLU 172 CO 0.42 0.50 -0.04 0.71 -0.49 0.00 0.00 175.26 176.36 3np1 s TYR 173 N -0.88 1.66 -0.42 1.61 2.02 -1.26 -4.93 117.35 115.15 3np1 s TYR 173 Ca 0.13 -0.82 0.04 0.00 -0.37 0.00 0.00 57.07 56.05 3np1 s TYR 173 Cb -0.10 -0.94 0.17 0.00 -0.40 0.00 0.00 41.96 40.69 3np1 s TYR 173 CO 0.03 0.09 0.34 0.34 -1.57 0.00 0.00 175.55 174.78 3np1 s ASP 174 N -3.33 1.72 0.24 2.29 2.15 -1.26 -4.97 116.67 113.50 3np1 s ASP 174 Ca 0.27 -3.03 0.11 0.00 0.43 0.00 0.00 52.55 50.33 3np1 s ASP 174 Cb 0.04 -0.49 0.16 0.00 -0.30 0.00 0.00 42.92 42.33 3np1 s ASP 174 CO 0.09 -0.18 1.48 0.78 -0.17 0.00 0.00 175.17 177.17 3np1 h ASN 175 N 5.75 0.00 -0.57 -0.34 -0.26 -1.99 -1.92 115.58 116.25 3np1 h ASN 175 Ca 0.24 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3np1 h ASN 175 Cb 0.91 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.14 3np1 h ASN 175 CO 0.38 0.70 0.34 1.62 -1.06 0.00 0.00 177.43 179.41 3np1 h VAL 176 N 0.00 1.17 0.06 2.81 3.04 -1.99 0.25 116.25 121.59 3np1 h VAL 176 Ca -0.01 -0.38 -0.25 0.00 -1.01 0.00 0.00 66.70 65.06 3np1 h VAL 176 Cb 1.36 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3np1 h VAL 176 CO 0.09 0.17 -1.08 0.77 -1.01 0.00 0.00 177.57 176.51 3np1 h SER 177 N 0.77 0.45 -0.69 3.17 4.64 -1.90 -2.87 113.55 117.11 3np1 h SER 177 Ca 0.20 -0.42 0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3np1 h SER 177 Cb -0.02 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 61.89 3np1 h SER 177 CO -0.04 1.27 0.46 0.25 -0.87 0.00 0.00 176.83 177.89 3np1 h LEU 178 N 0.14 0.66 0.05 5.97 5.85 -0.99 -1.46 115.31 125.52 3np1 h LEU 178 Ca -0.10 -0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.36 3np1 h LEU 178 Cb 1.76 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.65 3np1 h LEU 178 CO 0.18 0.44 -1.16 0.11 -0.34 0.00 0.00 178.44 177.66 3np1 h LYS 179 N 0.75 0.27 0.00 1.25 1.57 -0.93 -3.30 116.57 116.18 3np1 h LYS 179 Ca 0.29 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3np1 h LYS 179 Cb 0.19 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3np1 h LYS 179 CO -0.09 1.17 -0.16 0.66 -0.57 0.00 0.00 179.45 180.46 3np1 h SER 180 N 0.09 0.00 0.71 0.86 4.64 -1.24 -3.14 113.55 115.47 3np1 h SER 180 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3np1 h SER 180 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 3np1 h SER 180 CO 0.19 0.16 0.00 -0.07 -0.87 0.00 0.00 176.83 176.24 3np1 h LEU 181 N 0.00 0.00 -0.05 5.97 3.38 -1.35 -2.83 115.31 120.42 3np1 h LEU 181 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3np1 h LEU 181 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3np1 h LEU 181 CO 0.02 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.44 3np1 n LEU 182 N -2.41 0.03 -0.01 1.67 7.94 -1.19 -2.33 117.00 120.70 3np1 n LEU 182 Ca 0.01 0.51 0.10 0.00 -1.11 0.00 0.00 56.01 55.53 3np1 n LEU 182 Cb 0.23 -0.51 -0.17 0.00 0.53 0.00 0.00 43.42 43.50 3np1 n LEU 182 CO 0.20 -0.37 -0.78 0.41 -1.11 0.00 0.00 177.39 175.75 3np1 n THR 183 N -1.54 0.06 1.25 1.96 -1.04 -1.07 -4.71 114.28 109.19 3np1 n THR 183 Ca 0.02 -0.52 0.13 0.00 -2.04 0.00 0.00 64.05 61.65 3np1 n THR 183 Cb 0.11 -0.02 0.31 0.00 -1.82 0.00 0.00 70.33 68.91 3np1 n THR 183 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72