#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 -2.24 2.91 -0.03 0.00 2.01 -1.26 -5.00 115.64 112.03 3np1 s THR 3 Ca 0.20 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.47 3np1 s THR 3 Cb -0.02 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.42 3np1 s THR 3 CO 0.12 0.58 0.98 1.17 -0.69 0.00 0.00 174.62 176.79 3np1 n LYS 4 N 2.54 2.23 -0.11 4.92 3.00 -1.26 -4.61 118.16 124.86 3np1 n LYS 4 Ca -0.17 -1.62 0.12 0.00 -0.00 0.00 0.00 58.31 56.64 3np1 n LYS 4 Cb 0.52 -1.04 0.18 0.00 0.00 0.00 0.00 35.03 34.69 3np1 n LYS 4 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3np1 n ASN 5 N -0.64 3.24 -4.65 3.14 5.03 -1.26 -4.95 115.26 115.16 3np1 n ASN 5 Ca 0.03 -1.99 -0.47 0.00 0.87 0.00 0.00 54.58 53.03 3np1 n ASN 5 Cb 0.37 -0.15 -0.04 0.00 -1.02 0.00 0.00 39.78 38.95 3np1 n ASN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3np1 n ALA 6 N 1.41 0.92 -2.71 5.41 0.00 -1.26 -4.92 120.51 119.36 3np1 n ALA 6 Ca 0.17 0.46 -0.37 0.00 0.00 0.00 0.00 53.44 53.70 3np1 n ALA 6 Cb 0.60 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.65 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 0.76 3.95 0.67 0.00 1.43 -1.26 -5.02 118.68 119.20 3np1 s LEU 7 Ca 0.79 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 3np1 s LEU 7 Cb -0.72 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3np1 s LEU 7 CO 0.41 0.02 1.16 0.00 0.23 0.00 0.00 176.35 178.17 3np1 s ALA 8 N 1.35 2.36 0.29 4.21 0.00 -1.26 -4.38 121.76 124.32 3np1 s ALA 8 Ca 0.07 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3np1 s ALA 8 Cb -0.15 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3np1 s ALA 8 CO 0.06 -1.46 1.44 -1.14 0.00 0.00 0.00 175.76 174.66 3np1 s GLN 9 N -3.85 4.25 -0.32 0.00 0.74 -0.32 -4.92 119.66 115.24 3np1 s GLN 9 Ca 0.72 2.35 -0.28 0.00 0.05 0.00 0.00 55.36 58.20 3np1 s GLN 9 Cb -0.26 -3.07 0.01 0.00 1.10 0.00 0.00 33.01 30.80 3np1 s GLN 9 CO 0.41 -0.41 1.03 0.95 -0.55 0.00 0.00 175.29 176.71 3np1 s THR 10 N -0.37 4.56 -0.29 -0.34 -4.23 -1.26 -3.10 115.64 110.60 3np1 s THR 10 Ca 0.57 1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 62.73 3np1 s THR 10 Cb -0.43 -4.37 0.00 0.00 1.34 0.00 0.00 72.50 69.04 3np1 s THR 10 CO 0.48 -0.44 0.25 0.61 -0.54 0.00 0.00 174.62 174.98 3np1 n GLY 11 N 3.91 0.35 3.72 3.99 0.00 -1.26 -4.99 105.19 110.91 3np1 n GLY 11 Ca 0.11 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.08 3.67 -0.49 1.61 5.36 -1.18 -5.00 117.98 118.87 3np1 s PHE 12 Ca 0.04 1.66 -0.16 0.00 -0.96 0.00 0.00 56.93 57.51 3np1 s PHE 12 Cb -0.02 -3.17 0.08 0.00 -0.34 0.00 0.00 43.02 39.57 3np1 s PHE 12 CO 0.17 -0.24 0.42 1.21 -1.46 0.00 0.00 175.22 175.31 3np1 s ASN 13 N 0.38 6.16 0.45 6.13 2.47 -1.26 -4.95 114.94 124.32 3np1 s ASN 13 Ca 0.50 -1.42 0.25 0.00 0.42 0.00 0.00 52.86 52.62 3np1 s ASN 13 Cb -0.25 -2.19 0.70 0.00 -1.45 0.00 0.00 41.25 38.06 3np1 s ASN 13 CO 0.30 -0.69 1.74 0.07 -3.72 0.00 0.00 177.10 174.80 3np1 h LYS 14 N 8.78 0.00 0.00 0.43 2.10 -1.99 -2.76 116.57 123.14 3np1 h LYS 14 Ca -0.29 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.29 3np1 h LYS 14 Cb 1.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 3np1 h LYS 14 CO 0.91 0.10 -0.37 -0.44 -2.00 0.00 0.00 179.45 177.66 3np1 h ASP 15 N 0.00 0.00 0.13 7.07 5.19 -1.92 -0.96 116.42 125.94 3np1 h ASP 15 Ca -0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 3np1 h ASP 15 Cb 0.86 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 3np1 h ASP 15 CO 0.01 0.37 -1.61 0.11 -3.12 0.00 0.00 179.24 175.00 3np1 h LYS 16 N 0.00 0.28 0.35 3.56 1.57 -1.96 -3.37 116.57 117.01 3np1 h LYS 16 Ca -0.00 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3np1 h LYS 16 Cb 0.80 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3np1 h LYS 16 CO 0.05 1.23 -0.17 -0.92 -0.57 0.00 0.00 179.45 179.07 3np1 h TYR 17 N -0.15 -0.44 -0.71 -1.35 3.20 -1.44 -3.26 116.97 112.83 3np1 h TYR 17 Ca -0.34 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.99 3np1 h TYR 17 Cb 1.89 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 40.20 3np1 h TYR 17 CO 0.11 -0.15 1.37 1.19 -1.64 0.00 0.00 178.16 179.04 3np1 n PHE 18 N -5.20 1.69 0.88 -3.82 3.72 -0.37 -4.56 117.46 109.80 3np1 n PHE 18 Ca -0.10 -2.29 0.11 0.00 -0.05 0.00 0.00 57.45 55.12 3np1 n PHE 18 Cb 0.26 -1.73 0.30 0.00 -0.94 0.00 0.00 39.48 37.36 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 1.88 2.46 0.00 4.37 6.94 -1.20 -4.28 115.26 125.43 3np1 n ASN 19 Ca 0.56 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 3np1 n ASN 19 Cb 0.49 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 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 1.30 0.64 3.99 4.83 0.00 0.96 -4.94 105.19 111.96 3np1 n GLY 20 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.15 4.92 -0.15 1.61 1.11 -1.25 -4.82 116.67 115.94 3np1 s ASP 21 Ca 0.00 -0.23 -0.09 0.00 0.18 0.00 0.00 52.55 52.41 3np1 s ASP 21 Cb 0.00 -0.44 -0.05 0.00 1.07 0.00 0.00 42.92 43.50 3np1 s ASP 21 CO 0.00 -1.42 0.16 -0.69 1.18 0.00 0.00 175.17 174.40 3np1 s VAL 22 N -2.88 5.43 -0.07 -1.27 1.01 -1.26 -3.31 120.40 118.04 3np1 s VAL 22 Ca 0.61 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.87 3np1 s VAL 22 Cb -0.08 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3np1 s VAL 22 CO 0.40 0.53 -0.11 0.26 0.00 0.00 0.00 175.10 176.19 3np1 s TRP 23 N -0.40 2.81 0.01 5.22 0.52 0.10 -4.62 118.94 122.59 3np1 s TRP 23 Ca 0.13 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.11 3np1 s TRP 23 Cb -0.12 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3np1 s TRP 23 CO 0.02 0.17 -0.05 0.71 0.02 0.00 0.00 176.95 177.82 3np1 s TYR 24 N -0.54 2.92 -0.21 -1.98 2.02 -0.54 -0.79 117.35 118.23 3np1 s TYR 24 Ca 0.08 -0.02 -0.21 0.00 -0.37 0.00 0.00 57.07 56.55 3np1 s TYR 24 Cb -0.12 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3np1 s TYR 24 CO 0.02 0.40 0.65 0.08 -1.57 0.00 0.00 175.55 175.12 3np1 s VAL 25 N -1.04 5.00 -0.05 0.71 1.01 -0.80 -1.74 120.40 123.50 3np1 s VAL 25 Ca 0.18 1.21 0.16 0.00 0.00 0.00 0.00 61.98 63.53 3np1 s VAL 25 Cb -0.11 -3.96 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 3np1 s VAL 25 CO 0.09 0.09 0.29 0.35 0.00 0.00 0.00 175.10 175.92 3np1 n THR 26 N 4.79 0.20 -3.62 3.92 -2.24 -0.44 -4.73 114.28 112.15 3np1 n THR 26 Ca -0.01 -0.42 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 3np1 n THR 26 Cb 0.49 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 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 -4.04 -0.47 0.25 3.42 1.11 -1.22 -1.19 116.67 114.53 3np1 s ASP 27 Ca -0.06 0.47 -0.15 0.00 0.18 0.00 0.00 52.55 52.98 3np1 s ASP 27 Cb 0.09 0.45 0.00 0.00 1.07 0.00 0.00 42.92 44.54 3np1 s ASP 27 CO 0.66 -0.54 0.55 -0.72 1.18 0.00 0.00 175.17 176.29 3np1 s TYR 28 N -1.24 0.17 -0.14 4.23 1.13 -0.43 -0.80 117.35 120.28 3np1 s TYR 28 Ca -0.12 -0.56 -0.04 0.00 -1.41 0.00 0.00 57.07 54.94 3np1 s TYR 28 Cb -0.02 0.35 0.07 0.00 -1.10 0.00 0.00 41.96 41.26 3np1 s TYR 28 CO 0.08 -1.06 0.18 -1.17 -2.51 0.00 0.00 175.55 171.07 3np1 s LEU 29 N -2.98 -0.06 -0.29 -3.49 2.96 0.41 -0.24 118.68 114.99 3np1 s LEU 29 Ca 0.18 0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 3np1 s LEU 29 Cb -0.02 0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.92 3np1 s LEU 29 CO 0.08 -0.29 0.18 -0.62 -1.32 0.00 0.00 176.35 174.38 3np1 s ASP 30 N 2.30 5.86 0.36 3.68 -1.08 -1.26 -1.07 116.67 125.47 3np1 s ASP 30 Ca 0.04 -0.18 0.19 0.00 -0.52 0.00 0.00 52.55 52.08 3np1 s ASP 30 Cb -0.14 -2.09 0.27 0.00 -1.46 0.00 0.00 42.92 39.51 3np1 s ASP 30 CO -0.09 -0.11 1.55 -0.07 0.52 0.00 0.00 175.17 176.98 3np1 h LEU 31 N 8.38 0.00 -6.39 -1.34 -0.00 -1.69 -3.35 115.31 110.91 3np1 h LEU 31 Ca -0.34 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 56.94 3np1 h LEU 31 Cb 1.18 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.43 3np1 h LEU 31 CO 0.58 0.26 -0.81 1.21 -0.00 0.00 0.00 178.44 179.68 3np1 n GLU 32 N -3.18 1.36 -2.42 1.13 2.13 -1.26 -4.98 120.64 113.42 3np1 n GLU 32 Ca 0.03 -3.91 -0.36 0.00 0.66 0.00 0.00 57.16 53.57 3np1 n GLU 32 Cb 0.62 -1.86 -0.02 0.00 0.27 0.00 0.00 31.44 30.44 3np1 n GLU 32 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3np1 s PRO 33 N -1.33 3.86 0.79 5.31 0.04 -1.26 -4.96 135.00 137.46 3np1 s PRO 33 Ca 0.33 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 3np1 s PRO 33 Cb 0.08 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.33 3np1 s PRO 33 CO -0.12 -0.42 1.02 -3.47 0.04 0.00 0.00 177.00 174.05 3np1 n ASP 34 N -0.54 0.44 0.19 6.66 -0.08 -1.26 -4.91 116.55 117.05 3np1 n ASP 34 Ca 0.07 0.59 0.13 0.00 -1.51 0.00 0.00 54.79 54.08 3np1 n ASP 34 Cb 0.50 -1.43 0.37 0.00 2.34 0.00 0.00 41.12 42.89 3np1 n ASP 34 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3np1 h ASP 35 N -0.74 0.00 -3.73 1.67 3.32 -2.07 -3.42 116.42 111.45 3np1 h ASP 35 Ca -0.46 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.94 3np1 h ASP 35 Cb 1.31 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.66 3np1 h ASP 35 CO 0.45 0.00 -0.59 -0.69 -1.72 0.00 0.00 179.24 176.69 3np1 s VAL 36 N -3.28 4.67 0.30 -1.35 1.01 -1.26 -5.08 120.40 115.41 3np1 s VAL 36 Ca 0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3np1 s VAL 36 Cb 0.08 -3.21 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 3np1 s VAL 36 CO 0.60 0.30 1.29 -0.81 0.00 0.00 0.00 175.10 176.48 3np1 n PRO 37 N 4.97 1.98 -3.67 2.72 -0.04 -1.26 -5.02 135.00 134.68 3np1 n PRO 37 Ca -0.15 0.70 -0.09 0.00 -0.04 0.00 0.00 63.50 63.92 3np1 n PRO 37 Cb 0.52 -2.27 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 3np1 n PRO 37 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3np1 s LYS 38 N -1.31 0.37 0.03 0.54 2.20 -1.26 -5.13 119.74 115.17 3np1 s LYS 38 Ca 0.60 1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 56.91 3np1 s LYS 38 Cb -0.62 0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 35.90 3np1 s LYS 38 CO 0.58 -0.22 1.31 1.03 -0.36 0.00 0.00 175.35 177.69 3np1 s ARG 39 N 2.24 4.34 -0.01 4.03 0.52 -1.26 -5.01 118.95 123.80 3np1 s ARG 39 Ca -0.05 1.89 0.06 0.00 -0.52 0.00 0.00 55.73 57.11 3np1 s ARG 39 Cb -0.11 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 3np1 s ARG 39 CO -0.13 -0.45 -0.19 0.71 0.02 0.00 0.00 175.30 175.26 3np1 s TYR 40 N 1.80 1.71 -0.02 -0.53 2.02 -1.26 -4.31 117.35 116.76 3np1 s TYR 40 Ca 0.61 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.02 3np1 s TYR 40 Cb -0.31 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3np1 s TYR 40 CO 0.27 -0.02 -0.12 0.00 -1.57 0.00 0.00 175.55 174.11 3np1 s ALA 42 N -0.15 -1.32 0.17 0.00 0.00 -1.26 -0.73 121.76 118.47 3np1 s ALA 42 Ca 0.02 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 3np1 s ALA 42 Cb -0.06 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.39 3np1 s ALA 42 CO -0.00 -0.47 0.41 0.00 0.00 0.00 0.00 175.76 175.70 3np1 s ALA 43 N -2.21 -0.62 0.19 0.00 0.00 -0.98 -1.90 121.76 116.25 3np1 s ALA 43 Ca -0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 3np1 s ALA 43 Cb -0.01 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3np1 s ALA 43 CO 0.00 -0.71 0.35 -0.48 0.00 0.00 0.00 175.76 174.92 3np1 s LEU 44 N -2.89 0.70 -0.18 0.00 0.05 0.03 -1.55 118.68 114.85 3np1 s LEU 44 Ca 0.10 -0.90 -0.05 0.00 0.05 0.00 0.00 54.13 53.34 3np1 s LEU 44 Cb 0.01 1.38 0.07 0.00 -2.05 0.00 0.00 46.19 45.60 3np1 s LEU 44 CO -0.04 -0.98 0.12 0.00 -0.55 0.00 0.00 176.35 174.90 3np1 s ALA 45 N -3.99 0.30 -0.15 1.48 0.00 -0.17 0.01 121.76 119.23 3np1 s ALA 45 Ca 0.20 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 3np1 s ALA 45 Cb 0.02 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3np1 s ALA 45 CO 0.03 -1.21 0.16 0.00 0.00 0.00 0.00 175.76 174.74 3np1 s ALA 46 N 2.17 3.77 0.00 0.00 0.00 -1.21 -1.44 121.76 125.05 3np1 s ALA 46 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3np1 s ALA 46 Cb -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.85 3np1 s ALA 46 CO -0.12 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.43 3np1 n GLY 47 N 2.73 2.37 3.23 0.00 0.00 -0.37 -0.03 105.19 113.12 3np1 n GLY 47 Ca -0.17 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.75 1.05 -0.29 2.61 -4.23 -1.26 -0.91 115.64 109.86 3np1 s THR 48 Ca 0.00 -1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 3np1 s THR 48 Cb 0.00 -1.76 0.16 0.00 1.34 0.00 0.00 72.50 72.25 3np1 s THR 48 CO 0.00 -0.75 1.04 0.00 -0.54 0.00 0.00 174.62 174.38 3np1 s ALA 49 N -3.27 -2.37 0.00 3.99 0.00 -0.49 -4.89 121.76 114.74 3np1 s ALA 49 Ca 0.14 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.25 3np1 s ALA 49 Cb 0.02 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3np1 s ALA 49 CO -0.01 -0.34 0.00 0.43 0.00 0.00 0.00 175.76 175.85 3np1 n SER 50 N 3.55 -3.80 0.00 0.00 7.64 -1.26 -2.43 113.62 117.32 3np1 n SER 50 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3np1 n SER 50 Cb 0.57 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.21 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 -0.51 1.07 3.28 0.23 0.00 -1.26 -5.11 105.19 102.88 3np1 n GLY 51 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3np1 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3np1 s LYS 52 N -0.65 1.13 0.04 1.61 0.00 -1.02 -5.11 119.74 115.74 3np1 s LYS 52 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 55.97 54.26 3np1 s LYS 52 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 37.83 36.90 3np1 s LYS 52 CO 0.00 0.15 1.01 -0.51 0.00 0.00 0.00 175.35 176.00 3np1 s LEU 53 N -2.92 4.40 0.12 2.77 1.43 -1.26 -1.39 118.68 121.83 3np1 s LEU 53 Ca 0.15 1.75 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 3np1 s LEU 53 Cb -0.01 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3np1 s LEU 53 CO 0.03 -0.25 -0.19 -0.54 0.23 0.00 0.00 176.35 175.63 3np1 s LYS 54 N 0.78 1.14 -0.03 1.70 -0.14 -0.09 -0.68 119.74 122.42 3np1 s LYS 54 Ca 0.52 -1.24 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 3np1 s LYS 54 Cb -0.23 -1.27 0.03 0.00 -1.68 0.00 0.00 37.83 34.68 3np1 s LYS 54 CO 0.29 0.28 0.05 -2.00 -0.76 0.00 0.00 175.35 173.21 3np1 s GLU 55 N -2.29 -0.02 -0.11 1.68 2.12 -0.96 -1.24 118.70 117.87 3np1 s GLU 55 Ca 0.09 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.67 3np1 s GLU 55 Cb -0.08 -0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.03 3np1 s GLU 55 CO 0.05 -0.19 -0.13 0.00 -0.54 0.00 0.00 175.26 174.45 3np1 s ALA 56 N 1.22 2.64 0.17 6.30 0.00 -0.52 -2.22 121.76 129.35 3np1 s ALA 56 Ca -0.07 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.06 3np1 s ALA 56 Cb -0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3np1 s ALA 56 CO -0.03 0.32 -0.03 -1.17 0.00 0.00 0.00 175.76 174.85 3np1 s LEU 57 N 0.11 3.23 -0.08 0.00 2.96 -0.04 -1.00 118.68 123.85 3np1 s LEU 57 Ca -0.06 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 3np1 s LEU 57 Cb -0.15 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.67 3np1 s LEU 57 CO 0.05 0.10 0.21 -0.47 -1.32 0.00 0.00 176.35 174.91 3np1 s TYR 58 N -1.68 -0.25 0.03 5.38 5.04 -0.59 -2.47 117.35 122.80 3np1 s TYR 58 Ca 0.26 0.62 0.04 0.00 -2.44 0.00 0.00 57.07 55.55 3np1 s TYR 58 Cb -0.09 0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.24 3np1 s TYR 58 CO 0.18 -0.16 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.09 3np1 s HIS 59 N 0.68 1.10 0.00 4.97 3.76 -0.61 -2.31 115.29 122.88 3np1 s HIS 59 Ca -0.05 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 3np1 s HIS 59 Cb -0.06 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 3np1 s HIS 59 CO -0.04 0.01 0.06 -0.47 -0.85 0.00 0.00 174.74 173.45 3np1 s TYR 60 N -0.73 0.11 -0.26 1.40 5.04 0.10 -2.20 117.35 120.81 3np1 s TYR 60 Ca 0.01 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.42 3np1 s TYR 60 Cb -0.07 -0.10 0.06 0.00 0.35 0.00 0.00 41.96 42.21 3np1 s TYR 60 CO 0.01 -0.21 -0.08 0.34 -1.34 0.00 0.00 175.55 174.27 3np1 s ASP 61 N -1.19 4.30 0.52 4.32 -1.08 -0.76 -2.21 116.67 120.58 3np1 s ASP 61 Ca -0.13 -1.40 0.27 0.00 -0.52 0.00 0.00 52.55 50.77 3np1 s ASP 61 Cb -0.07 -1.44 1.45 0.00 -1.46 0.00 0.00 42.92 41.40 3np1 s ASP 61 CO 0.00 -0.22 2.08 1.55 0.52 0.00 0.00 175.17 179.10 3np1 h PRO 62 N 7.82 0.00 0.10 4.34 0.13 -1.81 0.23 132.00 142.81 3np1 h PRO 62 Ca -0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3np1 h PRO 62 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3np1 h PRO 62 CO 0.45 0.11 -0.05 -0.22 -0.23 0.00 0.00 178.00 178.06 3np1 h LYS 63 N 0.00 -0.13 0.00 0.86 3.64 -1.90 -3.34 116.57 115.70 3np1 h LYS 63 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3np1 h LYS 63 Cb 0.30 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3np1 h LYS 63 CO 0.01 0.38 -0.60 0.25 -2.27 0.00 0.00 179.45 177.22 3np1 n THR 64 N -4.85 0.07 -1.00 1.00 -2.24 -1.22 -4.93 114.28 101.11 3np1 n THR 64 Ca -0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3np1 n THR 64 Cb 0.28 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3np1 n THR 64 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3np1 n GLN 65 N -1.64 -0.86 -1.64 -0.78 7.27 0.80 -4.98 117.38 115.55 3np1 n GLN 65 Ca 0.05 0.22 -0.38 0.00 0.07 0.00 0.00 57.00 56.95 3np1 n GLN 65 Cb 0.36 -3.87 0.05 0.00 2.41 0.00 0.00 30.24 29.20 3np1 n GLN 65 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3np1 n ASP 66 N -0.43 1.15 -3.72 1.69 -0.08 -1.19 -4.76 116.55 109.21 3np1 n ASP 66 Ca 0.00 0.83 -0.13 0.00 -1.51 0.00 0.00 54.79 53.98 3np1 n ASP 66 Cb 0.22 -1.43 -0.09 0.00 2.34 0.00 0.00 41.12 42.15 3np1 n ASP 66 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3np1 s THR 67 N -1.47 0.00 -0.09 5.18 2.01 -1.26 -1.82 115.64 118.20 3np1 s THR 67 Ca 0.76 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 3np1 s THR 67 Cb -0.42 -0.64 0.04 0.00 0.01 0.00 0.00 72.50 71.50 3np1 s THR 67 CO 0.46 -0.02 0.40 0.72 -0.69 0.00 0.00 174.62 175.50 3np1 s PHE 68 N 0.09 -0.37 0.27 4.92 -0.71 -0.94 -5.01 117.98 116.24 3np1 s PHE 68 Ca -0.01 0.78 0.11 0.00 -1.04 0.00 0.00 56.93 56.77 3np1 s PHE 68 Cb -0.03 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 3np1 s PHE 68 CO 0.01 -0.33 -0.14 0.71 -1.34 0.00 0.00 175.22 174.13 3np1 s TYR 69 N -0.55 2.42 0.03 3.49 1.51 -1.26 -1.57 117.35 121.42 3np1 s TYR 69 Ca -0.07 -0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 3np1 s TYR 69 Cb -0.04 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 3np1 s TYR 69 CO 0.03 0.68 0.30 -0.51 -1.11 0.00 0.00 175.55 174.94 3np1 s ASP 70 N -3.55 -0.14 -0.03 2.29 1.11 -1.03 -2.39 116.67 112.93 3np1 s ASP 70 Ca 0.30 -0.12 -0.02 0.00 0.18 0.00 0.00 52.55 52.90 3np1 s ASP 70 Cb -0.06 0.34 0.02 0.00 1.07 0.00 0.00 42.92 44.29 3np1 s ASP 70 CO 0.17 -0.56 0.07 -0.69 1.18 0.00 0.00 175.17 175.34 3np1 s VAL 71 N -2.18 -0.02 0.04 -1.27 1.01 -0.84 -0.86 120.40 116.28 3np1 s VAL 71 Ca -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3np1 s VAL 71 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 3np1 s VAL 71 CO -0.01 0.03 -0.02 -0.44 0.00 0.00 0.00 175.10 174.66 3np1 s SER 72 N 0.42 0.40 -0.27 3.32 0.01 -0.94 -1.18 113.70 115.46 3np1 s SER 72 Ca -0.03 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.28 3np1 s SER 72 Cb -0.05 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 3np1 s SER 72 CO -0.02 -0.52 0.20 -1.61 0.41 0.00 0.00 173.24 171.70 3np1 s GLU 73 N -3.21 3.99 0.28 12.44 2.02 -1.26 -2.27 118.70 130.69 3np1 s GLU 73 Ca 0.00 -0.28 -0.11 0.00 0.02 0.00 0.00 54.97 54.61 3np1 s GLU 73 Cb 0.03 -3.63 -0.08 0.00 0.10 0.00 0.00 34.13 30.55 3np1 s GLU 73 CO -0.07 -0.13 0.63 -0.51 0.02 0.00 0.00 175.26 175.20 3np1 s LEU 74 N 1.61 4.10 -0.07 1.80 1.43 0.14 -3.82 118.68 123.86 3np1 s LEU 74 Ca 0.08 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 3np1 s LEU 74 Cb -0.15 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.25 3np1 s LEU 74 CO 0.09 -0.15 -0.09 -1.58 0.23 0.00 0.00 176.35 174.85 3np1 s GLN 75 N -3.01 1.44 -0.30 1.70 0.74 -0.97 -4.40 119.66 114.84 3np1 s GLN 75 Ca 0.50 -0.29 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 3np1 s GLN 75 Cb -0.11 -1.31 0.01 0.00 1.10 0.00 0.00 33.01 32.71 3np1 s GLN 75 CO 0.21 -0.07 1.13 -2.00 -0.55 0.00 0.00 175.29 174.01 3np1 s GLU 76 N 1.00 4.05 0.01 1.67 2.12 -1.26 -1.90 118.70 124.39 3np1 s GLU 76 Ca -0.09 1.15 -0.06 0.00 0.36 0.00 0.00 54.97 56.33 3np1 s GLU 76 Cb -0.15 -3.76 -0.29 0.00 0.26 0.00 0.00 34.13 30.19 3np1 s GLU 76 CO -0.00 -0.92 0.88 0.93 -0.54 0.00 0.00 175.26 175.61 3np1 h GLU 77 N 8.30 0.31 -1.70 4.30 4.39 -1.59 -3.48 114.58 125.10 3np1 h GLU 77 Ca -0.22 -0.53 0.10 0.00 0.34 0.00 0.00 59.36 59.05 3np1 h GLU 77 Cb 1.07 0.20 -0.21 0.00 -0.10 0.00 0.00 28.75 29.70 3np1 h GLU 77 CO 1.03 1.20 0.55 0.45 -1.16 0.00 0.00 179.01 181.08 3np1 s SER 78 N -7.12 -0.35 0.00 1.42 0.15 -1.19 -5.02 113.70 101.59 3np1 s SER 78 Ca -0.09 0.29 -0.33 0.00 0.70 0.00 0.00 55.95 56.52 3np1 s SER 78 Cb 0.06 0.31 -0.12 0.00 -1.71 0.00 0.00 66.02 64.57 3np1 s SER 78 CO 0.87 -0.39 1.84 -2.65 1.20 0.00 0.00 173.24 174.11 3np1 n PRO 79 N 0.47 2.37 0.00 5.44 -0.02 -1.26 -0.59 135.00 141.42 3np1 n PRO 79 Ca -0.09 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3np1 n PRO 79 Cb 0.59 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 4.24 2.65 3.34 -1.23 0.00 -1.26 -4.71 105.19 108.22 3np1 n GLY 80 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.30 3.31 0.10 1.61 1.02 0.24 0.18 119.74 125.90 3np1 s LYS 81 Ca 0.00 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.36 3np1 s LYS 81 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 3np1 s LYS 81 CO 0.00 -0.28 -0.15 0.71 -0.92 0.00 0.00 175.35 174.72 3np1 s TYR 82 N 1.50 1.34 -0.13 3.18 2.02 0.20 -1.36 117.35 124.09 3np1 s TYR 82 Ca 0.05 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 3np1 s TYR 82 Cb -0.15 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 3np1 s TYR 82 CO -0.01 0.10 -0.16 0.99 -1.57 0.00 0.00 175.55 174.91 3np1 s THR 83 N -1.65 2.71 -0.19 -0.71 2.01 -0.80 -1.16 115.64 115.85 3np1 s THR 83 Ca 0.03 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3np1 s THR 83 Cb -0.08 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.33 3np1 s THR 83 CO 0.03 0.53 -0.18 0.00 -0.69 0.00 0.00 174.62 174.30 3np1 s ALA 84 N 0.52 2.38 -0.72 7.40 0.00 0.24 -2.30 121.76 129.28 3np1 s ALA 84 Ca -0.10 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 3np1 s ALA 84 Cb -0.16 -1.24 0.14 0.00 0.00 0.00 0.00 23.12 21.85 3np1 s ALA 84 CO 0.04 -0.39 0.81 -0.80 0.00 0.00 0.00 175.76 175.43 3np1 s ASN 85 N 1.30 6.42 0.55 0.00 0.01 -1.25 -1.12 114.94 120.85 3np1 s ASN 85 Ca 0.05 -1.89 -0.11 0.00 -0.71 0.00 0.00 52.86 50.20 3np1 s ASN 85 Cb -0.13 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 3np1 s ASN 85 CO -0.12 -0.97 0.95 0.72 -1.51 0.00 0.00 177.10 176.17 3np1 s PHE 86 N 2.05 3.57 -0.04 2.20 -0.12 -1.26 -3.99 117.98 120.38 3np1 s PHE 86 Ca 0.18 1.21 -0.02 0.00 -0.05 0.00 0.00 56.93 58.25 3np1 s PHE 86 Cb -0.17 -2.63 0.03 0.00 -0.63 0.00 0.00 43.02 39.63 3np1 s PHE 86 CO -0.01 -0.49 0.08 -1.59 -0.05 0.00 0.00 175.22 173.16 3np1 s LYS 87 N -4.75 -0.01 0.12 1.99 -2.85 -0.32 -4.29 119.74 109.63 3np1 s LYS 87 Ca 0.54 0.34 -0.30 0.00 -1.00 0.00 0.00 55.97 55.55 3np1 s LYS 87 Cb -0.11 -0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 35.28 3np1 s LYS 87 CO 0.46 -0.24 1.16 0.21 0.10 0.00 0.00 175.35 177.04 3np1 s LYS 88 N 1.60 4.50 0.15 1.78 2.20 -0.90 -1.99 119.74 127.08 3np1 s LYS 88 Ca -0.03 1.77 -0.01 0.00 -0.36 0.00 0.00 55.97 57.33 3np1 s LYS 88 Cb -0.12 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3np1 s LYS 88 CO -0.04 -0.11 0.07 0.14 -0.36 0.00 0.00 175.35 175.06 3np1 s VAL 89 N 0.40 0.11 0.81 4.02 -7.23 -1.01 -0.24 120.40 117.26 3np1 s VAL 89 Ca 0.54 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 3np1 s VAL 89 Cb -0.30 -2.18 0.10 0.00 0.56 0.00 0.00 36.38 34.56 3np1 s VAL 89 CO 0.33 -0.33 1.16 -1.61 -0.31 0.00 0.00 175.10 174.33 3np1 s GLU 90 N -4.07 1.78 0.00 4.82 0.41 0.25 -4.05 118.70 117.84 3np1 s GLU 90 Ca 0.28 -0.10 0.05 0.00 -0.41 0.00 0.00 54.97 54.79 3np1 s GLU 90 Cb 0.07 -2.00 0.22 0.00 -1.78 0.00 0.00 34.13 30.65 3np1 s GLU 90 CO 0.05 -1.65 1.12 0.36 -0.49 0.00 0.00 175.26 174.65 3np1 n LYS 91 N -3.29 0.02 -0.20 1.61 2.85 -1.26 -1.17 118.16 116.71 3np1 n LYS 91 Ca 0.09 0.37 0.07 0.00 -1.05 0.00 0.00 58.31 57.80 3np1 n LYS 91 Cb 0.61 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.67 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 -1.45 3.08 0.00 -5.58 0.23 -1.26 -4.86 115.26 105.42 3np1 n ASN 92 Ca 0.01 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3np1 n ASN 92 Cb 0.05 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 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 0.83 0.73 3.70 4.83 0.00 -0.32 -5.04 105.19 109.91 3np1 n GLY 93 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.84 6.84 -0.09 1.61 0.01 -1.26 -4.67 114.94 114.54 3np1 s ASN 94 Ca 0.00 2.20 -0.30 0.00 -0.71 0.00 0.00 52.86 54.05 3np1 s ASN 94 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3np1 s ASN 94 CO 0.00 -0.70 1.35 -0.69 -1.51 0.00 0.00 177.10 175.55 3np1 s VAL 95 N 1.94 4.03 -0.21 1.60 1.01 -1.26 0.88 120.40 128.39 3np1 s VAL 95 Ca 0.64 1.31 -0.10 0.00 0.00 0.00 0.00 61.98 63.84 3np1 s VAL 95 Cb -0.34 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.01 3np1 s VAL 95 CO 0.28 -0.07 0.05 0.29 0.00 0.00 0.00 175.10 175.65 3np1 n LYS 96 N 6.14 0.65 -3.76 2.72 5.02 0.66 -4.87 118.16 124.72 3np1 n LYS 96 Ca 0.14 0.32 -0.27 0.00 -2.02 0.00 0.00 58.31 56.47 3np1 n LYS 96 Cb 0.44 -1.63 -0.17 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.49 0.59 1.18 -0.18 1.01 -1.02 -4.99 120.40 114.49 3np1 s VAL 97 Ca -0.30 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3np1 s VAL 97 Cb 0.09 -1.01 0.25 0.00 0.00 0.00 0.00 36.38 35.71 3np1 s VAL 97 CO 0.63 -0.11 0.74 0.47 0.00 0.00 0.00 175.10 176.83 3np1 n ASP 98 N 5.04 -2.03 -4.77 3.32 9.92 -1.26 -2.12 116.55 124.65 3np1 n ASP 98 Ca -0.09 -0.19 -0.40 0.00 -0.53 0.00 0.00 54.79 53.58 3np1 n ASP 98 Cb 0.47 -1.17 -0.03 0.00 -0.64 0.00 0.00 41.12 39.76 3np1 n ASP 98 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3np1 s VAL 99 N -2.34 3.06 0.00 2.53 1.01 -1.26 -4.76 120.40 118.64 3np1 s VAL 99 Ca 0.65 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 3np1 s VAL 99 Cb -0.22 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3np1 s VAL 99 CO 0.66 0.22 0.04 -0.89 0.00 0.00 0.00 175.10 175.13 3np1 s THR 100 N -1.20 0.07 0.17 3.92 2.01 -1.26 -5.06 115.64 114.28 3np1 s THR 100 Ca 0.49 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 3np1 s THR 100 Cb -0.35 -0.25 0.06 0.00 0.01 0.00 0.00 72.50 71.97 3np1 s THR 100 CO 0.46 -0.31 1.59 0.28 -0.69 0.00 0.00 174.62 175.96 3np1 h SER 101 N 5.00 -1.12 0.70 3.53 0.02 -1.99 -0.63 113.55 119.06 3np1 h SER 101 Ca -0.29 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3np1 h SER 101 Cb 1.20 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.27 3np1 h SER 101 CO 0.43 -0.32 0.00 1.23 -1.14 0.00 0.00 176.83 177.02 3np1 h GLY 102 N -0.25 0.00 -7.27 -3.77 0.00 -1.95 -3.43 103.07 86.39 3np1 h GLY 102 Ca 0.17 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.84 3np1 h GLY 102 CO -0.55 0.00 -0.14 -1.31 0.00 0.00 0.00 176.54 174.54 3np1 s ASN 103 N -4.45 6.25 -0.21 0.19 -0.87 -0.25 0.01 114.94 115.61 3np1 s ASN 103 Ca 0.03 -0.23 -0.34 0.00 -1.57 0.00 0.00 52.86 50.75 3np1 s ASN 103 Cb 0.09 -2.24 0.15 0.00 -0.02 0.00 0.00 41.25 39.23 3np1 s ASN 103 CO 0.40 -0.48 1.22 -0.72 -2.57 0.00 0.00 177.10 174.95 3np1 s TYR 104 N 2.27 -0.13 0.10 2.20 1.13 -0.57 -4.01 117.35 118.32 3np1 s TYR 104 Ca 0.16 0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.99 3np1 s TYR 104 Cb -0.16 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 3np1 s TYR 104 CO 0.13 -0.18 -0.10 1.52 -2.51 0.00 0.00 175.55 174.41 3np1 s TYR 105 N -1.99 1.08 -0.05 -3.49 -0.85 -0.28 -1.01 117.35 110.77 3np1 s TYR 105 Ca 0.08 -0.64 0.04 0.00 -0.52 0.00 0.00 57.07 56.03 3np1 s TYR 105 Cb -0.01 -0.59 0.00 0.00 0.38 0.00 0.00 41.96 41.74 3np1 s TYR 105 CO -0.05 0.01 -0.15 0.95 -1.52 0.00 0.00 175.55 174.79 3np1 s THR 106 N -2.36 1.29 0.10 -3.49 -4.23 -0.38 0.79 115.64 107.37 3np1 s THR 106 Ca 0.05 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 3np1 s THR 106 Cb -0.03 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 3np1 s THR 106 CO 0.00 0.38 -0.13 0.72 -0.54 0.00 0.00 174.62 175.05 3np1 s PHE 107 N 0.21 1.28 -0.10 3.99 -0.71 -0.31 -0.14 117.98 122.20 3np1 s PHE 107 Ca -0.07 -0.54 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 3np1 s PHE 107 Cb -0.12 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 3np1 s PHE 107 CO 0.03 0.09 -0.21 0.99 -1.34 0.00 0.00 175.22 174.78 3np1 s THR 108 N -1.92 1.83 -0.58 -4.49 2.01 0.51 -0.63 115.64 112.36 3np1 s THR 108 Ca 0.05 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 3np1 s THR 108 Cb -0.06 -1.60 0.05 0.00 0.01 0.00 0.00 72.50 70.90 3np1 s THR 108 CO 0.02 0.51 0.90 -0.69 -0.69 0.00 0.00 174.62 174.67 3np1 s VAL 109 N 0.49 4.44 0.10 3.82 1.01 0.13 -1.08 120.40 129.31 3np1 s VAL 109 Ca -0.16 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3np1 s VAL 109 Cb -0.17 -4.55 -0.24 0.00 0.00 0.00 0.00 36.38 31.42 3np1 s VAL 109 CO 0.06 -1.18 1.22 0.24 0.00 0.00 0.00 175.10 175.44 3np1 h MET 110 N 9.35 0.10 -2.23 2.72 2.86 -1.32 -0.84 114.93 125.57 3np1 h MET 110 Ca -0.27 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 3np1 h MET 110 Cb 1.08 0.06 -0.21 0.00 0.06 0.00 0.00 31.60 32.59 3np1 h MET 110 CO 1.10 1.08 0.05 -0.47 1.06 0.00 0.00 176.91 179.73 3np1 s TYR 111 N -2.69 -0.63 -0.23 -0.22 5.04 -1.03 -3.84 117.35 113.75 3np1 s TYR 111 Ca -0.01 1.36 -0.20 0.00 -2.44 0.00 0.00 57.07 55.78 3np1 s TYR 111 Cb 0.09 0.28 0.06 0.00 0.35 0.00 0.00 41.96 42.74 3np1 s TYR 111 CO 0.84 -0.43 0.61 0.00 -1.34 0.00 0.00 175.55 175.23 3np1 s ALA 112 N -0.34 -1.52 0.00 3.97 0.00 -1.26 -0.85 121.76 121.76 3np1 s ALA 112 Ca -0.05 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3np1 s ALA 112 Cb -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3np1 s ALA 112 CO 0.04 -0.30 0.00 -0.25 0.00 0.00 0.00 175.76 175.26 3np1 n ASP 113 N 2.93 1.81 0.02 0.00 8.00 0.17 -4.93 116.55 124.56 3np1 n ASP 113 Ca -0.15 -0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.27 3np1 n ASP 113 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.76 3np1 n ASP 113 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3np1 n ASP 114 N -0.23 0.63 0.00 -2.24 9.92 -1.26 -4.32 116.55 119.05 3np1 n ASP 114 Ca 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 3np1 n ASP 114 Cb 0.00 0.54 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.81 0.43 -4.01 -2.24 3.41 -1.26 -4.86 113.62 103.28 3np1 n SER 115 Ca 0.03 -0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.40 3np1 n SER 115 Cb 0.40 0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.46 0.08 0.13 4.04 1.04 -1.26 -1.70 113.70 115.57 3np1 s SER 116 Ca 0.00 -0.96 -0.25 0.00 0.48 0.00 0.00 55.95 55.23 3np1 s SER 116 Cb 0.00 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.61 3np1 s SER 116 CO 0.00 -0.88 0.73 0.00 0.98 0.00 0.00 173.24 174.06 3np1 s ALA 117 N -4.00 -1.62 -0.06 5.32 0.00 -0.43 0.42 121.76 121.39 3np1 s ALA 117 Ca 0.20 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 3np1 s ALA 117 Cb 0.04 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.92 3np1 s ALA 117 CO 0.02 -0.80 0.01 -1.17 0.00 0.00 0.00 175.76 173.81 3np1 s LEU 118 N -2.71 0.62 0.19 0.00 2.96 -0.03 -1.04 118.68 118.66 3np1 s LEU 118 Ca 0.04 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 3np1 s LEU 118 Cb -0.02 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 3np1 s LEU 118 CO -0.08 -0.18 -0.16 0.27 -1.32 0.00 0.00 176.35 174.88 3np1 s ILE 119 N 1.86 1.74 -0.11 6.68 -4.36 -0.27 -1.11 121.20 125.63 3np1 s ILE 119 Ca 0.03 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 3np1 s ILE 119 Cb -0.12 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 3np1 s ILE 119 CO -0.04 -0.49 -0.21 -2.28 0.24 0.00 0.00 174.94 172.16 3np1 s HIS 120 N -2.60 2.63 0.01 1.37 5.65 -0.24 -0.68 115.29 121.43 3np1 s HIS 120 Ca 0.19 -0.90 0.04 0.00 0.25 0.00 0.00 55.06 54.64 3np1 s HIS 120 Cb -0.03 -1.74 -0.01 0.00 -1.18 0.00 0.00 32.58 29.62 3np1 s HIS 120 CO 0.07 -0.34 -0.12 -0.08 -0.65 0.00 0.00 174.74 173.62 3np1 s THR 121 N 0.30 0.92 -0.17 0.89 -1.32 0.39 -0.37 115.64 116.29 3np1 s THR 121 Ca -0.15 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 3np1 s THR 121 Cb -0.17 -0.81 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 3np1 s THR 121 CO 0.08 0.12 -0.10 0.00 -2.21 0.00 0.00 174.62 172.50 3np1 s LEU 123 N 1.52 4.18 -0.16 0.00 2.96 -1.25 -1.25 118.68 124.68 3np1 s LEU 123 Ca 0.02 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3np1 s LEU 123 Cb -0.15 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.14 3np1 s LEU 123 CO -0.09 0.01 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.77 3np1 s HIS 124 N 0.95 2.76 -0.59 5.38 3.76 -0.18 0.12 115.29 127.49 3np1 s HIS 124 Ca 0.17 -1.36 0.06 0.00 -0.15 0.00 0.00 55.06 53.77 3np1 s HIS 124 Cb -0.14 -1.89 0.22 0.00 1.11 0.00 0.00 32.58 31.88 3np1 s HIS 124 CO 0.06 -0.65 0.59 1.17 -0.85 0.00 0.00 174.74 175.06 3np1 n LYS 125 N 4.32 1.74 -0.55 1.40 4.81 -0.74 -1.52 118.16 127.63 3np1 n LYS 125 Ca -0.20 -4.19 0.00 0.00 -0.87 0.00 0.00 58.31 53.05 3np1 n LYS 125 Cb 0.51 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.54 3np1 n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3np1 n GLY 126 N 1.50 0.88 4.32 3.14 0.00 0.10 -4.41 105.19 110.73 3np1 n GLY 126 Ca 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 0.00 -4.65 1.61 4.13 -1.17 -4.94 115.26 109.70 3np1 n ASN 127 Ca 0.00 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.88 3np1 n ASN 127 Cb 0.18 -1.10 -0.08 0.00 -1.54 0.00 0.00 39.78 37.24 3np1 n ASN 127 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3np1 s LYS 128 N -0.06 4.12 -0.33 3.52 2.36 -1.26 -5.01 119.74 123.08 3np1 s LYS 128 Ca 0.00 0.12 -0.29 0.00 -2.55 0.00 0.00 55.97 53.25 3np1 s LYS 128 Cb 0.00 -3.57 0.00 0.00 -1.05 0.00 0.00 37.83 33.22 3np1 s LYS 128 CO 0.00 -0.09 1.34 0.34 1.55 0.00 0.00 175.35 178.49 3np1 s ASP 129 N 1.19 6.57 -0.01 1.43 2.15 -1.26 -1.79 116.67 124.95 3np1 s ASP 129 Ca 0.17 1.09 0.08 0.00 0.43 0.00 0.00 52.55 54.33 3np1 s ASP 129 Cb -0.15 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.18 3np1 s ASP 129 CO 0.08 -1.19 1.19 0.18 -0.17 0.00 0.00 175.17 175.26 3np1 n LEU 130 N 8.00 1.59 0.00 -1.34 4.32 0.33 -4.33 117.00 125.56 3np1 n LEU 130 Ca 0.15 -0.79 0.00 0.00 -0.02 0.00 0.00 56.01 55.35 3np1 n LEU 130 Cb 0.47 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 3np1 n LEU 130 CO 0.65 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.81 3np1 n GLY 131 N 0.91 2.18 3.70 -0.72 0.00 -1.26 -4.86 105.19 105.14 3np1 n GLY 131 Ca 0.10 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.03 6.72 -0.05 1.61 1.01 -1.26 -3.88 116.67 120.79 3np1 s ASP 132 Ca 0.00 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.62 3np1 s ASP 132 Cb 0.00 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.38 3np1 s ASP 132 CO 0.00 -0.78 -0.02 -0.22 0.21 0.00 0.00 175.17 174.37 3np1 s LEU 133 N 2.02 1.02 -0.13 1.23 0.20 -0.20 -1.65 118.68 121.16 3np1 s LEU 133 Ca 0.68 -0.09 -0.01 0.00 0.69 0.00 0.00 54.13 55.41 3np1 s LEU 133 Cb -0.37 -0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.98 3np1 s LEU 133 CO 0.30 -0.12 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.82 3np1 s TYR 134 N 1.32 2.84 0.07 5.38 2.02 -0.23 0.15 117.35 128.90 3np1 s TYR 134 Ca -0.05 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.11 3np1 s TYR 134 Cb -0.13 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 3np1 s TYR 134 CO -0.02 -0.20 -0.18 0.00 -1.57 0.00 0.00 175.55 173.58 3np1 s ALA 135 N 0.37 1.57 -0.24 3.71 0.00 0.14 -0.45 121.76 126.86 3np1 s ALA 135 Ca -0.10 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 3np1 s ALA 135 Cb -0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3np1 s ALA 135 CO 0.05 0.31 0.03 0.08 0.00 0.00 0.00 175.76 176.23 3np1 s VAL 136 N -1.02 3.90 0.18 0.00 1.01 0.02 -1.11 120.40 123.38 3np1 s VAL 136 Ca 0.04 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3np1 s VAL 136 Cb -0.09 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3np1 s VAL 136 CO 0.03 0.34 0.08 -0.76 0.00 0.00 0.00 175.10 174.79 3np1 s LEU 137 N 1.55 3.59 -0.01 3.92 1.43 -0.21 -1.33 118.68 127.62 3np1 s LEU 137 Ca 0.06 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3np1 s LEU 137 Cb -0.15 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3np1 s LEU 137 CO 0.01 0.07 0.19 0.21 0.23 0.00 0.00 176.35 177.06 3np1 s ASN 138 N -3.10 -0.06 0.00 2.29 3.84 -0.71 -1.32 114.94 115.88 3np1 s ASN 138 Ca 0.30 -0.05 0.25 0.00 0.21 0.00 0.00 52.86 53.57 3np1 s ASN 138 Cb -0.09 0.26 1.09 0.00 -0.55 0.00 0.00 41.25 41.95 3np1 s ASN 138 CO 0.21 -0.36 1.82 0.54 -2.79 0.00 0.00 177.10 176.52 3np1 n ARG 139 N 1.58 0.00 -4.53 0.43 5.12 -0.69 -1.47 116.66 117.09 3np1 n ARG 139 Ca -0.21 0.06 -0.29 0.00 -1.93 0.00 0.00 57.85 55.48 3np1 n ARG 139 Cb 0.56 -1.50 -0.17 0.00 -1.16 0.00 0.00 32.46 30.19 3np1 n ARG 139 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3np1 s ASN 140 N -3.02 2.50 0.55 0.55 3.84 -1.26 -4.88 114.94 113.22 3np1 s ASN 140 Ca 0.12 -0.44 0.28 0.00 0.21 0.00 0.00 52.86 53.03 3np1 s ASN 140 Cb 0.17 -1.13 1.60 0.00 -0.55 0.00 0.00 41.25 41.33 3np1 s ASN 140 CO 0.47 0.03 2.15 0.07 -2.79 0.00 0.00 177.10 177.03 3np1 h LYS 141 N 7.33 0.00 -0.66 0.43 2.10 -1.94 -3.13 116.57 120.70 3np1 h LYS 141 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3np1 h LYS 141 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3np1 h LYS 141 CO 0.49 0.07 0.00 -0.25 -2.00 0.00 0.00 179.45 177.76 3np1 n ASP 142 N -3.75 4.10 -4.72 7.07 8.00 -1.26 -4.93 116.55 121.06 3np1 n ASP 142 Ca -0.02 -2.26 -0.35 0.00 0.71 0.00 0.00 54.79 52.86 3np1 n ASP 142 Cb 0.17 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 3np1 n ASP 142 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3np1 s THR 143 N -1.57 4.97 0.46 -3.53 -4.23 -1.19 -5.08 115.64 105.47 3np1 s THR 143 Ca 0.46 0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.76 3np1 s THR 143 Cb 0.28 -3.20 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 3np1 s THR 143 CO 0.25 0.53 1.13 0.20 -0.54 0.00 0.00 174.62 176.19 3np1 s ASN 144 N -0.22 6.24 0.26 3.99 0.01 -1.26 -4.96 114.94 119.01 3np1 s ASN 144 Ca 0.09 2.22 -0.31 0.00 -0.71 0.00 0.00 52.86 54.15 3np1 s ASN 144 Cb -0.12 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.83 3np1 s ASN 144 CO 0.01 -0.86 1.63 0.00 -1.51 0.00 0.00 177.10 176.37 3np1 n ALA 145 N -0.52 2.55 -1.94 0.60 0.00 -1.26 -4.99 120.51 114.95 3np1 n ALA 145 Ca 0.07 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.63 3np1 n ALA 145 Cb 0.49 -2.47 0.13 0.00 0.00 0.00 0.00 19.45 17.60 3np1 n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3np1 s GLY 146 N 0.70 1.74 0.40 0.00 0.00 -1.26 -4.89 107.32 104.01 3np1 s GLY 146 Ca 0.68 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 44.26 3np1 s GLY 146 CO 0.43 -0.60 2.03 -0.55 0.00 0.00 0.00 173.10 174.41 3np1 h ASP 147 N -1.06 0.50 -0.29 1.64 3.32 -1.98 -2.49 116.42 116.06 3np1 h ASP 147 Ca -0.43 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3np1 h ASP 147 Cb 1.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3np1 h ASP 147 CO 0.47 0.35 -0.09 0.11 -1.72 0.00 0.00 179.24 178.36 3np1 h LYS 148 N 0.59 0.56 -0.40 3.56 1.57 -1.99 -0.96 116.57 119.50 3np1 h LYS 148 Ca 0.19 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3np1 h LYS 148 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3np1 h LYS 148 CO -0.05 0.78 -0.05 0.28 -0.57 0.00 0.00 179.45 179.84 3np1 h VAL 149 N 0.32 1.27 0.00 0.50 2.07 -1.91 -2.56 116.25 115.93 3np1 h VAL 149 Ca 0.07 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3np1 h VAL 149 Cb 0.58 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3np1 h VAL 149 CO 0.03 0.37 -0.06 0.11 0.02 0.00 0.00 177.57 178.04 3np1 h LYS 150 N 0.56 0.00 -0.01 1.57 1.57 -1.40 0.13 116.57 119.00 3np1 h LYS 150 Ca 0.11 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.69 3np1 h LYS 150 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3np1 h LYS 150 CO 0.03 0.06 -0.87 0.78 -0.57 0.00 0.00 179.45 178.88 3np1 h GLY 151 N 0.24 0.28 1.45 3.86 0.00 -0.96 -2.43 103.07 105.51 3np1 h GLY 151 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3np1 h GLY 151 CO 0.01 0.42 -0.34 0.00 0.00 0.00 0.00 176.54 176.63 3np1 h ALA 152 N 0.94 0.88 -0.23 3.60 0.00 -0.70 0.16 119.26 123.92 3np1 h ALA 152 Ca -0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3np1 h ALA 152 Cb 1.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3np1 h ALA 152 CO 0.14 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.33 3np1 h VAL 153 N 0.52 1.23 -0.53 0.00 2.07 -0.74 -2.24 116.25 116.56 3np1 h VAL 153 Ca 0.06 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3np1 h VAL 153 Cb 0.83 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3np1 h VAL 153 CO 0.07 0.24 0.07 0.74 0.02 0.00 0.00 177.57 178.72 3np1 h THR 154 N 0.17 1.24 0.00 2.57 2.02 -1.19 -1.77 112.91 115.94 3np1 h THR 154 Ca 0.07 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3np1 h THR 154 Cb 0.34 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3np1 h THR 154 CO 0.01 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.23 3np1 h ALA 155 N 1.29 1.00 -0.01 6.16 0.00 -0.46 -1.13 119.26 126.10 3np1 h ALA 155 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3np1 h ALA 155 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3np1 h ALA 155 CO 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.22 3np1 n ALA 156 N -2.05 2.67 -1.24 0.00 0.00 -0.69 -4.91 120.51 114.29 3np1 n ALA 156 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 3np1 n ALA 156 Cb 0.23 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.22 -2.98 -4.87 0.00 7.64 -0.43 -5.05 113.62 107.71 3np1 n SER 157 Ca 0.18 0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.90 3np1 n SER 157 Cb 0.31 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.56 3.47 -0.18 -3.43 1.43 -1.04 -5.04 118.68 113.32 3np1 s LEU 158 Ca 0.00 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3np1 s LEU 158 Cb 0.00 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3np1 s LEU 158 CO 0.00 -0.55 -0.12 -0.54 0.23 0.00 0.00 176.35 175.37 3np1 s LYS 159 N -4.09 3.23 0.51 1.70 1.02 -1.26 -4.08 119.74 116.78 3np1 s LYS 159 Ca 0.46 -0.72 0.25 0.00 0.02 0.00 0.00 55.97 55.98 3np1 s LYS 159 Cb -0.04 -2.75 1.37 0.00 -0.52 0.00 0.00 37.83 35.88 3np1 s LYS 159 CO 0.27 -0.10 2.05 0.35 -0.92 0.00 0.00 175.35 177.01 3np1 h PHE 160 N 7.70 0.00 0.00 3.18 3.57 -1.92 -1.65 116.94 127.82 3np1 h PHE 160 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3np1 h PHE 160 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3np1 h PHE 160 CO 0.53 0.13 0.00 0.66 -2.23 0.00 0.00 178.31 177.40 3np1 h SER 161 N 0.00 0.00 0.24 0.41 4.64 -2.02 -0.09 113.55 116.72 3np1 h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3np1 h SER 161 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3np1 h SER 161 CO 0.02 0.00 -0.20 0.47 -0.87 0.00 0.00 176.83 176.25 3np1 n ASP 162 N -2.33 0.95 -4.83 4.97 8.00 -0.62 -4.89 116.55 117.80 3np1 n ASP 162 Ca 0.02 -0.89 -0.33 0.00 0.71 0.00 0.00 54.79 54.30 3np1 n ASP 162 Cb 0.22 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3np1 n ASP 162 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3np1 s PHE 163 N -2.44 3.35 -0.16 1.24 0.40 -0.05 -4.84 117.98 115.48 3np1 s PHE 163 Ca 0.27 1.49 -0.03 0.00 -0.60 0.00 0.00 56.93 58.05 3np1 s PHE 163 Cb 0.20 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 3np1 s PHE 163 CO 0.49 -0.11 -0.05 0.42 0.70 0.00 0.00 175.22 176.68 3np1 s ILE 164 N -2.21 3.78 -0.12 0.64 1.01 0.67 -4.87 121.20 120.11 3np1 s ILE 164 Ca 0.60 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 3np1 s ILE 164 Cb -0.09 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3np1 s ILE 164 CO 0.17 0.49 0.63 -0.55 0.00 0.00 0.00 174.94 175.68 3np1 s SER 165 N 0.45 6.83 0.00 3.58 0.15 -1.26 -1.31 113.70 122.14 3np1 s SER 165 Ca -0.04 0.99 0.28 0.00 0.70 0.00 0.00 55.95 57.88 3np1 s SER 165 Cb -0.14 -2.36 0.98 0.00 -1.71 0.00 0.00 66.02 62.79 3np1 s SER 165 CO 0.03 -0.13 1.74 0.35 1.20 0.00 0.00 173.24 176.43 3np1 n THR 166 N 4.02 0.00 -0.33 6.45 -2.24 -0.33 -4.19 114.28 117.66 3np1 n THR 166 Ca -0.03 -0.01 0.36 0.00 -2.27 0.00 0.00 64.05 62.10 3np1 n THR 166 Cb 0.51 -0.19 0.75 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.07 0.00 -0.28 -0.78 1.63 -1.90 -1.24 116.57 114.06 3np1 h LYS 167 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3np1 h LYS 167 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3np1 h LYS 167 CO 0.00 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.75 3np1 n ASP 168 N -4.12 3.84 -1.62 4.20 9.92 -1.26 -4.62 116.55 122.89 3np1 n ASP 168 Ca 0.26 -2.90 0.06 0.00 -0.53 0.00 0.00 54.79 51.68 3np1 n ASP 168 Cb 1.28 -0.51 0.33 0.00 -0.64 0.00 0.00 41.12 41.57 3np1 n ASP 168 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3np1 n ASN 169 N -0.35 4.83 -3.93 -2.24 5.03 -0.47 -4.93 115.26 113.19 3np1 n ASN 169 Ca 0.20 -2.73 -0.26 0.00 0.87 0.00 0.00 54.58 52.67 3np1 n ASN 169 Cb 0.85 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.95 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 0.55 -3.09 -1.36 3.52 4.76 -1.26 -4.59 118.16 116.69 3np1 n LYS 170 Ca 0.23 0.40 -0.31 0.00 -2.87 0.00 0.00 58.31 55.76 3np1 n LYS 170 Cb 1.01 -4.47 0.08 0.00 -1.84 0.00 0.00 35.03 29.81 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 -4.96 0.16 0.23 0.00 2.56 -1.26 -5.13 118.70 110.30 3np1 s GLU 172 Ca 0.60 0.45 0.11 0.00 0.00 0.00 0.00 54.97 56.14 3np1 s GLU 172 Cb -0.16 -0.13 -0.05 0.00 2.00 0.00 0.00 34.13 35.80 3np1 s GLU 172 CO 0.56 -0.15 -0.20 0.71 -0.56 0.00 0.00 175.26 175.61 3np1 s TYR 173 N 1.14 2.34 -0.62 5.30 1.51 -1.26 -4.92 117.35 120.85 3np1 s TYR 173 Ca -0.09 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 3np1 s TYR 173 Cb -0.10 -1.09 0.19 0.00 -0.11 0.00 0.00 41.96 40.84 3np1 s TYR 173 CO -0.07 0.60 0.50 -3.47 -1.11 0.00 0.00 175.55 172.00 3np1 n ASP 174 N -0.17 2.22 0.17 2.29 2.03 -1.26 -4.92 116.55 116.91 3np1 n ASP 174 Ca -0.09 -3.04 0.02 0.00 0.52 0.00 0.00 54.79 52.20 3np1 n ASP 174 Cb 0.58 -0.69 0.30 0.00 -0.72 0.00 0.00 41.12 40.58 3np1 n ASP 174 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3np1 h ASN 175 N 5.17 0.00 0.40 1.67 -0.26 -1.98 -0.58 115.58 120.00 3np1 h ASN 175 Ca 0.18 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 3np1 h ASN 175 Cb 0.78 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 3np1 h ASN 175 CO 0.65 0.45 -0.19 1.62 -1.06 0.00 0.00 177.43 178.90 3np1 h VAL 176 N 0.00 0.61 -0.54 2.81 3.04 -2.00 -1.08 116.25 119.09 3np1 h VAL 176 Ca -0.00 -0.11 -0.09 0.00 -1.01 0.00 0.00 66.70 65.48 3np1 h VAL 176 Cb 0.86 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 3np1 h VAL 176 CO 0.06 0.02 -0.01 0.28 -1.01 0.00 0.00 177.57 176.91 3np1 h SER 177 N -0.60 0.91 -0.47 3.17 0.02 -1.87 -2.75 113.55 111.97 3np1 h SER 177 Ca -0.05 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.71 3np1 h SER 177 Cb 0.45 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 3np1 h SER 177 CO 0.09 0.98 0.16 -0.07 -1.14 0.00 0.00 176.83 176.86 3np1 h LEU 178 N 0.86 0.17 -0.97 5.07 3.38 -0.90 -1.04 115.31 121.88 3np1 h LEU 178 Ca 0.16 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3np1 h LEU 178 Cb 0.53 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3np1 h LEU 178 CO 0.03 0.12 -0.36 0.11 0.09 0.00 0.00 178.44 178.43 3np1 h LYS 179 N 0.34 0.29 0.00 1.13 1.57 -1.02 -3.09 116.57 115.78 3np1 h LYS 179 Ca 0.22 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3np1 h LYS 179 Cb 0.23 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3np1 h LYS 179 CO -0.23 0.62 -0.40 0.66 -0.57 0.00 0.00 179.45 179.53 3np1 h SER 180 N 0.25 0.00 0.68 0.86 4.64 -1.20 -3.17 113.55 115.60 3np1 h SER 180 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3np1 h SER 180 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3np1 h SER 180 CO 0.06 0.22 0.00 0.18 -0.87 0.00 0.00 176.83 176.42 3np1 n LEU 181 N -3.08 0.36 -0.03 5.97 4.77 -0.42 -3.03 117.00 121.54 3np1 n LEU 181 Ca 0.02 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 3np1 n LEU 181 Cb 0.63 -0.53 0.45 0.00 -2.33 0.00 0.00 43.42 41.64 3np1 n LEU 181 CO 0.38 -0.39 1.17 -0.07 -1.33 0.00 0.00 177.39 177.15 3np1 h LEU 182 N 0.00 0.44 -0.53 2.23 4.07 -1.63 -1.83 115.31 118.06 3np1 h LEU 182 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3np1 h LEU 182 Cb 0.34 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3np1 h LEU 182 CO 0.00 0.30 -0.34 0.35 -1.08 0.00 0.00 178.44 177.67 3np1 n THR 183 N -4.48 0.00 1.75 0.22 -2.24 -1.17 -4.77 114.28 103.59 3np1 n THR 183 Ca 0.05 -0.14 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 3np1 n THR 183 Cb 0.16 0.56 0.74 0.00 -2.10 0.00 0.00 70.33 69.69 3np1 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79