#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s SER 2 N 0.00 5.61 0.10 8.00 1.04 -1.26 -5.00 113.70 122.19 3cma s SER 2 Ca 0.00 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.05 3cma s SER 2 Cb 0.00 -0.92 -0.11 0.00 0.10 0.00 0.00 66.02 65.09 3cma s SER 2 CO 0.00 -0.82 1.74 0.50 0.98 0.00 0.00 173.24 175.63 3cma h LYS 3 N 0.47 0.14 -0.31 4.02 3.64 -2.07 -2.54 116.57 119.92 3cma h LYS 3 Ca -0.42 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.02 3cma h LYS 3 Cb 1.28 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 3cma h LYS 3 CO 0.50 0.11 -0.22 0.87 -2.27 0.00 0.00 179.45 178.45 3cma h LYS 4 N 0.12 -0.18 -0.12 1.90 1.57 -2.02 -0.49 116.57 117.35 3cma h LYS 4 Ca 0.04 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3cma h LYS 4 Cb 0.01 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3cma h LYS 4 CO -0.01 -0.12 0.28 -0.22 -0.57 0.00 0.00 179.45 178.81 3cma h LYS 5 N -0.19 0.00 0.00 3.15 1.63 -1.85 -1.01 116.57 118.30 3cma h LYS 5 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3cma h LYS 5 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3cma h LYS 5 CO -0.42 0.00 -0.83 0.54 -3.45 0.00 0.00 179.45 175.29 3cma n ARG 6 N -3.29 0.16 0.25 1.90 1.74 -0.21 -4.45 116.66 112.75 3cma n ARG 6 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 3cma n ARG 6 Cb 0.37 -1.56 0.69 0.00 -1.02 0.00 0.00 32.46 30.94 3cma n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cma h GLN 7 N 0.00 0.00 -6.42 5.56 1.08 -1.01 -3.45 115.11 110.88 3cma h GLN 7 Ca 0.00 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 3cma h GLN 7 Cb 0.62 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.10 3cma h GLN 7 CO 0.00 0.00 0.85 0.54 -0.95 0.00 0.00 178.83 179.27 3cma n ARG 8 N -4.40 2.06 -0.11 1.46 5.12 -1.26 -1.15 116.66 118.37 3cma n ARG 8 Ca -0.02 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 3cma n ARG 8 Cb 0.13 -2.52 0.00 0.00 -1.16 0.00 0.00 32.46 28.90 3cma n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cma n GLY 9 N 3.63 0.56 0.01 -0.13 0.00 -1.26 -4.93 105.19 103.07 3cma n GLY 9 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3cma n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cma n SER 10 N 0.00 0.58 0.00 1.61 3.41 -0.30 -4.96 113.62 113.96 3cma n SER 10 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3cma n SER 10 Cb 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3cma n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3cma n ARG 11 N -1.66 0.00 0.00 4.33 0.63 -1.26 -4.10 116.66 114.60 3cma n ARG 11 Ca 0.05 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.12 3cma n ARG 11 Cb 0.37 0.00 0.64 0.00 0.45 0.00 0.00 32.46 33.91 3cma n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3cma n THR 12 N 0.00 0.00 -4.32 5.15 -2.24 -1.26 -4.94 114.28 106.67 3cma n THR 12 Ca 0.00 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 3cma n THR 12 Cb 0.00 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 3cma n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3cma n HIS 13 N -0.58 -1.42 -0.93 4.78 8.25 -1.26 -0.32 115.22 123.75 3cma n HIS 13 Ca 0.18 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 3cma n HIS 13 Cb 0.27 -2.67 0.00 0.00 1.12 0.00 0.00 29.99 28.71 3cma n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cma n GLY 14 N -1.67 0.70 0.08 -1.41 0.00 -1.26 -4.88 105.19 96.75 3cma n GLY 14 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3cma n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 15 N -2.05 -1.04 5.92 -0.02 0.00 0.56 -5.03 105.19 103.53 3cma n GLY 15 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3cma n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 16 N 1.26 -0.32 3.51 -0.02 0.00 -1.26 -4.71 105.19 103.65 3cma n GLY 16 Ca 0.15 -1.22 -0.52 0.00 0.00 0.00 0.00 46.02 44.43 3cma n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cma n SER 17 N 0.97 0.26 0.00 1.61 2.88 -1.26 -4.75 113.62 113.33 3cma n SER 17 Ca 0.00 1.14 0.02 0.00 -1.33 0.00 0.00 58.87 58.71 3cma n SER 17 Cb 0.00 -1.05 0.13 0.00 -0.75 0.00 0.00 64.21 62.54 3cma n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cma n HIS 18 N 1.19 0.00 1.13 0.66 -0.00 -1.26 -0.47 115.22 116.46 3cma n HIS 18 Ca 0.18 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.02 3cma n HIS 18 Cb 0.19 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.36 3cma n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3cma n LYS 19 N -0.90 1.13 0.00 -1.40 5.02 -1.26 -4.62 118.16 116.13 3cma n LYS 19 Ca 0.03 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 3cma n LYS 19 Cb 0.02 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3cma n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cma n ASN 20 N -0.21 0.00 -4.28 4.39 3.02 0.38 -4.62 115.26 113.93 3cma n ASN 20 Ca 0.11 0.44 -0.26 0.00 -0.03 0.00 0.00 54.58 54.85 3cma n ASN 20 Cb 0.42 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 3cma n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cma n ARG 21 N -1.73 0.54 0.00 3.52 1.74 -1.26 -4.72 116.66 114.75 3cma n ARG 21 Ca 0.00 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 3cma n ARG 21 Cb 0.00 -3.53 0.00 0.00 -1.02 0.00 0.00 32.46 27.91 3cma n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cma n ARG 22 N 8.05 0.00 -0.07 5.56 1.74 -1.26 -5.14 116.66 125.54 3cma n ARG 22 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3cma n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 3cma n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 23 N 5.00 -0.05 0.00 -0.13 0.00 -1.26 -4.91 105.19 103.84 3cma n GLY 23 Ca 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.32 3cma n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma n ALA 24 N -3.00 1.90 0.16 4.61 0.00 -1.26 -2.23 120.51 120.69 3cma n ALA 24 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3cma n ALA 24 Cb 0.00 -1.21 0.19 0.00 0.00 0.00 0.00 19.45 18.43 3cma n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cma h GLY 25 N 2.06 0.00 2.00 0.00 0.00 -1.91 0.39 103.07 105.62 3cma h GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cma h GLY 25 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 176.54 177.38 3cma h HIS 26 N 0.00 0.00 -0.01 5.60 6.17 -1.74 -2.20 115.15 122.96 3cma h HIS 26 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3cma h HIS 26 Cb 1.14 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.07 3cma h HIS 26 CO 0.00 0.00 -0.46 0.54 0.71 0.00 0.00 177.93 178.72 3cma n ARG 27 N -2.70 1.35 -2.10 5.26 1.74 -0.92 -4.97 116.66 114.31 3cma n ARG 27 Ca 0.02 -0.86 -0.03 0.00 -0.77 0.00 0.00 57.85 56.21 3cma n ARG 27 Cb 0.29 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3cma n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 28 N 1.33 0.30 0.00 -0.13 0.00 -0.83 -4.86 105.19 101.01 3cma n GLY 28 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3cma n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 29 N -0.98 2.05 3.85 -0.02 0.00 0.08 -4.63 105.19 105.54 3cma n GLY 29 Ca -0.03 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3cma n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cma s ARG 30 N -2.40 3.88 6.60 1.61 0.52 -1.26 -4.72 118.95 123.18 3cma s ARG 30 Ca 0.00 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 3cma s ARG 30 Cb 0.00 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3cma s ARG 30 CO 0.00 0.55 0.00 0.41 0.02 0.00 0.00 175.30 176.28 3cma n GLY 31 N 1.04 2.10 1.32 -3.53 0.00 -1.26 -2.70 105.19 102.16 3cma n GLY 31 Ca -0.08 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.56 3cma n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 32 N 4.89 3.80 -4.58 1.61 8.00 -1.26 -4.98 116.55 124.03 3cma n ASP 32 Ca 0.00 -2.55 -0.51 0.00 0.71 0.00 0.00 54.79 52.45 3cma n ASP 32 Cb 0.00 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 3cma n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma n ALA 33 N 0.37 -1.02 -1.04 2.24 0.00 -1.10 -1.58 120.51 118.38 3cma n ALA 33 Ca 0.16 0.49 -0.01 0.00 0.00 0.00 0.00 53.44 54.08 3cma n ALA 33 Cb 0.81 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3cma n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 34 N 2.19 0.52 0.00 0.00 0.00 -1.26 -4.75 105.19 101.88 3cma n GLY 34 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3cma n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cma n ARG 35 N -2.76 0.00 -0.27 1.61 -4.01 -0.62 -0.70 116.66 109.91 3cma n ARG 35 Ca -0.01 0.24 0.01 0.00 -1.04 0.00 0.00 57.85 57.05 3cma n ARG 35 Cb 0.07 -1.51 0.01 0.00 -3.04 0.00 0.00 32.46 28.00 3cma n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3cma n ASP 36 N -1.24 0.37 0.00 2.89 5.68 -1.26 -4.00 116.55 118.99 3cma n ASP 36 Ca 0.00 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 3cma n ASP 36 Cb 0.01 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3cma n ASP 36 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3cma n LYS 37 N -0.18 0.00 0.16 0.11 4.76 0.12 -4.83 118.16 118.31 3cma n LYS 37 Ca 0.02 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.48 3cma n LYS 37 Cb 0.61 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 34.05 3cma n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3cma h HIS 38 N 0.00 0.00 -0.99 2.13 2.07 -1.92 -3.27 115.15 113.17 3cma h HIS 38 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 3cma h HIS 38 Cb 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 29.58 3cma h HIS 38 CO 0.00 0.50 -0.51 0.39 -3.07 0.00 0.00 177.93 175.23 3cma n GLU 39 N -3.66 3.43 0.17 5.12 1.02 -0.32 -4.75 120.64 121.66 3cma n GLU 39 Ca -0.01 -4.11 0.02 0.00 -0.02 0.00 0.00 57.16 53.05 3cma n GLU 39 Cb 0.56 -2.27 0.30 0.00 -0.02 0.00 0.00 31.44 30.01 3cma n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cma h PHE 40 N 2.27 0.00 -1.72 -0.32 -5.15 -1.61 -3.40 116.94 107.02 3cma h PHE 40 Ca 0.39 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.49 3cma h PHE 40 Cb 1.26 0.00 0.08 0.00 0.22 0.00 0.00 35.95 37.51 3cma h PHE 40 CO 0.93 0.45 0.17 0.72 -2.00 0.00 0.00 178.31 178.58 3cma n HIS 41 N -3.88 1.04 -2.15 6.09 -0.00 -1.26 -2.35 115.22 112.71 3cma n HIS 41 Ca -0.01 0.76 -0.19 0.00 -0.00 0.00 0.00 57.72 58.28 3cma n HIS 41 Cb 0.49 -2.22 -0.03 0.00 -0.00 0.00 0.00 29.99 28.23 3cma n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3cma n ASN 42 N 1.95 -5.24 -4.69 0.41 5.03 -1.26 -4.99 115.26 106.47 3cma n ASN 42 Ca 0.16 0.17 -0.35 0.00 0.87 0.00 0.00 54.58 55.43 3cma n ASN 42 Cb 0.22 -4.46 -0.09 0.00 -1.02 0.00 0.00 39.78 34.43 3cma n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3cma s HIS 43 N -2.82 3.17 0.45 3.10 3.76 -0.99 -5.06 115.29 116.89 3cma s HIS 43 Ca 0.00 0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.86 3cma s HIS 43 Cb 0.00 -1.78 -0.09 0.00 1.11 0.00 0.00 32.58 31.82 3cma s HIS 43 CO 0.00 0.48 1.28 0.39 -0.85 0.00 0.00 174.74 176.04 3cma n GLU 44 N 2.01 1.89 -1.45 1.40 -0.58 -1.26 -4.91 120.64 117.75 3cma n GLU 44 Ca -0.18 0.68 -0.30 0.00 -0.42 0.00 0.00 57.16 56.94 3cma n GLU 44 Cb 0.54 -2.42 0.11 0.00 -0.57 0.00 0.00 31.44 29.09 3cma n GLU 44 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3cma s PRO 45 N -2.33 1.73 0.55 3.49 0.04 -1.26 -5.01 135.00 132.21 3cma s PRO 45 Ca 0.63 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 3cma s PRO 45 Cb -0.49 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3cma s PRO 45 CO 0.57 -1.87 1.10 -0.51 0.04 0.00 0.00 177.00 176.32 3cma s LEU 46 N -5.94 3.68 0.00 -3.56 1.43 -1.26 -4.98 118.68 108.05 3cma s LEU 46 Ca 0.62 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 3cma s LEU 46 Cb -0.15 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.50 3cma s LEU 46 CO 0.55 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 176.56 3cma n GLY 47 N -0.19 3.35 3.95 -3.19 0.00 -1.26 -5.12 105.19 102.75 3cma n GLY 47 Ca 0.11 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 3cma n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma s LYS 48 N -2.46 2.84 -0.28 1.61 1.02 -1.26 -5.13 119.74 116.08 3cma s LYS 48 Ca 0.00 -1.24 -0.15 0.00 0.02 0.00 0.00 55.97 54.60 3cma s LYS 48 Cb 0.00 -2.66 0.10 0.00 -0.52 0.00 0.00 37.83 34.74 3cma s LYS 48 CO 0.00 -0.10 0.74 0.45 -0.92 0.00 0.00 175.35 175.51 3cma s SER 49 N -4.20 -0.89 0.50 2.83 0.15 -1.26 -5.14 113.70 105.69 3cma s SER 49 Ca 0.49 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.54 3cma s SER 49 Cb -0.08 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 3cma s SER 49 CO 0.30 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3cma n GLY 50 N 4.33 0.80 3.50 9.45 0.00 -1.26 -4.96 105.19 117.05 3cma n GLY 50 Ca -0.19 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 3cma n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cma s PHE 51 N 0.00 0.97 0.04 1.61 -0.12 -1.26 -5.17 117.98 114.05 3cma s PHE 51 Ca 0.00 -1.22 0.07 0.00 -0.05 0.00 0.00 56.93 55.73 3cma s PHE 51 Cb 0.00 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.31 3cma s PHE 51 CO 0.00 -1.11 -0.20 0.15 -0.05 0.00 0.00 175.22 174.01 3cma s LYS 52 N -3.19 1.32 0.26 1.99 1.02 -1.26 -5.14 119.74 114.74 3cma s LYS 52 Ca 0.30 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.38 3cma s LYS 52 Cb -0.00 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 3cma s LYS 52 CO 0.18 0.36 0.44 1.03 -0.92 0.00 0.00 175.35 176.45 3cma s ARG 53 N -1.18 3.49 0.21 1.68 0.52 -1.26 -5.04 118.95 117.38 3cma s ARG 53 Ca 0.07 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.54 3cma s ARG 53 Cb -0.09 -2.79 -0.10 0.00 0.52 0.00 0.00 34.95 32.50 3cma s ARG 53 CO 0.02 0.32 1.49 -1.25 0.02 0.00 0.00 175.30 175.90 3cma s PRO 54 N -3.81 4.25 0.65 3.54 0.04 -1.26 -4.86 135.00 133.54 3cma s PRO 54 Ca 0.38 2.32 0.28 0.00 0.04 0.00 0.00 61.00 64.02 3cma s PRO 54 Cb -0.10 -3.13 1.50 0.00 0.04 0.00 0.00 34.50 32.81 3cma s PRO 54 CO 0.31 -0.50 1.86 1.96 0.04 0.00 0.00 177.00 180.67 3cma h GLN 55 N 5.81 0.00 -0.64 4.56 4.20 -1.96 0.10 115.11 127.19 3cma h GLN 55 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3cma h GLN 55 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3cma h GLN 55 CO 0.84 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 179.36 3cma n LYS 56 N -3.04 4.04 0.00 1.46 2.85 -1.26 -3.36 118.16 118.85 3cma n LYS 56 Ca 0.00 -2.78 0.00 0.00 -1.05 0.00 0.00 58.31 54.49 3cma n LYS 56 Cb 0.48 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 3cma n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3cma n VAL 57 N 0.83 0.30 -3.93 0.58 0.31 0.35 -5.03 118.33 111.74 3cma n VAL 57 Ca 0.25 -0.46 -0.37 0.00 -0.01 0.00 0.00 64.34 63.75 3cma n VAL 57 Cb 0.97 1.04 -0.07 0.00 -0.91 0.00 0.00 33.84 34.88 3cma n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3cma s GLN 58 N -0.30 3.46 -0.07 5.55 -0.21 -1.15 -4.97 119.66 121.98 3cma s GLN 58 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.21 3cma s GLN 58 Cb 0.00 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 3cma s GLN 58 CO 0.00 0.72 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.63 3cma s GLU 59 N -0.87 2.80 -0.29 2.91 2.02 -1.26 -5.03 118.70 118.98 3cma s GLU 59 Ca 0.14 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.62 3cma s GLU 59 Cb -0.12 -2.64 0.09 0.00 0.10 0.00 0.00 34.13 31.56 3cma s GLU 59 CO 0.03 0.67 0.03 -2.00 0.02 0.00 0.00 175.26 174.01 3cma s GLU 60 N -0.88 1.28 0.45 1.61 2.12 -1.26 -5.01 118.70 117.01 3cma s GLU 60 Ca 0.13 -1.30 -0.21 0.00 0.36 0.00 0.00 54.97 53.95 3cma s GLU 60 Cb -0.11 -2.60 -0.10 0.00 0.26 0.00 0.00 34.13 31.58 3cma s GLU 60 CO 0.02 -0.83 0.97 0.00 -0.54 0.00 0.00 175.26 174.88 3cma s ALA 61 N 1.31 3.01 -0.51 6.30 0.00 -1.26 -1.55 121.76 129.05 3cma s ALA 61 Ca 0.05 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 3cma s ALA 61 Cb -0.18 -3.17 0.11 0.00 0.00 0.00 0.00 23.12 19.88 3cma s ALA 61 CO -0.13 0.02 0.45 0.00 0.00 0.00 0.00 175.76 176.11 3cma s ALA 62 N -2.17 3.60 0.26 0.00 0.00 0.43 -4.94 121.76 118.93 3cma s ALA 62 Ca 0.63 -2.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 3cma s ALA 62 Cb -0.10 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 3cma s ALA 62 CO 0.15 -1.92 0.53 0.95 0.00 0.00 0.00 175.76 175.48 3cma s THR 63 N 1.59 5.02 -0.10 0.00 -4.23 -1.26 -1.92 115.64 114.75 3cma s THR 63 Ca 0.03 0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.54 3cma s THR 63 Cb -0.28 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 69.90 3cma s THR 63 CO 0.04 -0.22 0.36 -0.51 -0.54 0.00 0.00 174.62 173.75 3cma s ILE 64 N -1.97 0.02 0.04 2.99 2.07 -0.82 -4.96 121.20 118.56 3cma s ILE 64 Ca 0.44 -0.16 -0.09 0.00 -1.41 0.00 0.00 60.65 59.44 3cma s ILE 64 Cb -0.11 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 3cma s ILE 64 CO 0.27 -0.09 0.34 -1.81 -1.91 0.00 0.00 174.94 171.75 3cma s ASP 65 N -0.36 6.59 0.29 4.50 1.01 -1.26 0.48 116.67 127.93 3cma s ASP 65 Ca -0.05 0.70 0.04 0.00 0.71 0.00 0.00 52.55 53.96 3cma s ASP 65 Cb -0.03 -2.14 0.70 0.00 1.01 0.00 0.00 42.92 42.45 3cma s ASP 65 CO 0.02 0.22 1.76 -0.37 0.21 0.00 0.00 175.17 177.01 3cma h VAL 66 N 2.99 0.68 -0.93 -1.27 -1.51 -1.45 0.74 116.25 115.51 3cma h VAL 66 Ca -0.50 -0.24 0.27 0.00 -1.23 0.00 0.00 66.70 65.00 3cma h VAL 66 Cb 1.20 -0.07 -0.15 0.00 -2.13 0.00 0.00 31.29 30.13 3cma h VAL 66 CO 0.66 0.13 0.32 -0.09 -1.23 0.00 0.00 177.57 177.35 3cma h ARG 67 N 0.70 0.20 -0.15 5.19 2.43 -1.56 0.36 114.38 121.55 3cma h ARG 67 Ca 0.56 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.51 3cma h ARG 67 Cb 0.88 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3cma h ARG 67 CO -0.39 0.13 -0.69 1.49 -1.51 0.00 0.00 179.97 179.00 3cma h GLU 68 N 0.21 0.73 -0.09 0.20 4.81 -1.13 -2.56 114.58 116.74 3cma h GLU 68 Ca 0.62 -0.59 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3cma h GLU 68 Cb 1.33 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3cma h GLU 68 CO -0.67 1.20 0.03 0.82 -0.73 0.00 0.00 179.01 179.66 3cma h ILE 69 N 0.44 1.17 -0.01 2.32 2.04 -0.54 -3.22 117.51 119.70 3cma h ILE 69 Ca -0.04 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3cma h ILE 69 Cb 1.32 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3cma h ILE 69 CO 0.14 0.15 0.01 -0.78 0.00 0.00 0.00 178.15 177.67 3cma h ASP 70 N -0.03 0.02 0.00 1.72 3.58 -0.52 -2.92 116.42 118.27 3cma h ASP 70 Ca 0.03 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.34 3cma h ASP 70 Cb 0.21 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3cma h ASP 70 CO -0.00 0.15 0.08 -0.62 -2.88 0.00 0.00 179.24 175.96 3cma n GLU 71 N -5.01 0.10 -0.51 0.28 1.02 -0.97 -2.50 120.64 113.05 3cma n GLU 71 Ca -0.07 0.58 0.06 0.00 -0.02 0.00 0.00 57.16 57.71 3cma n GLU 71 Cb 0.09 -1.90 0.12 0.00 -0.02 0.00 0.00 31.44 29.73 3cma n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3cma n ASN 72 N -2.04 1.58 0.52 1.62 3.02 -1.11 -4.86 115.26 113.99 3cma n ASN 72 Ca -0.01 -3.04 -0.21 0.00 -0.03 0.00 0.00 54.58 51.30 3cma n ASN 72 Cb 0.10 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 3cma n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3cma h VAL 73 N 2.41 0.04 -0.23 2.41 -1.51 -1.43 0.21 116.25 118.15 3cma h VAL 73 Ca -0.03 -0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.50 3cma h VAL 73 Cb 1.19 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 3cma h VAL 73 CO 0.01 0.00 0.22 0.71 -1.23 0.00 0.00 177.57 177.28 3cma h THR 74 N -1.32 0.56 0.00 7.19 1.35 -1.89 0.85 112.91 119.66 3cma h THR 74 Ca -0.13 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.49 3cma h THR 74 Cb 1.01 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 3cma h THR 74 CO 0.22 0.00 -1.26 -0.07 -0.25 0.00 0.00 175.52 174.16 3cma h LEU 75 N 0.00 0.00 -2.81 3.87 3.38 -1.85 -3.16 115.31 114.75 3cma h LEU 75 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 3cma h LEU 75 Cb 0.54 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 3cma h LEU 75 CO -0.00 0.98 0.24 0.18 0.09 0.00 0.00 178.44 179.93 3cma n LEU 76 N -3.22 4.65 -4.22 1.67 4.77 0.72 -5.03 117.00 116.33 3cma n LEU 76 Ca -0.06 -2.39 -0.37 0.00 -0.03 0.00 0.00 56.01 53.16 3cma n LEU 76 Cb 0.98 -0.70 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3cma n LEU 76 CO 0.46 0.78 -0.69 0.00 -1.33 0.00 0.00 177.39 176.62 3cma n ALA 77 N 0.07 -3.57 0.00 -1.18 0.00 -1.10 -2.19 120.51 112.54 3cma n ALA 77 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3cma n ALA 77 Cb 0.84 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3cma n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cma n ALA 78 N -2.28 0.00 -3.16 0.00 0.00 -1.26 -4.34 120.51 109.47 3cma n ALA 78 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 3cma n ALA 78 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 3cma n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cma s ASP 79 N -0.96 -1.32 0.00 0.00 1.01 -0.93 -5.15 116.67 109.32 3cma s ASP 79 Ca 0.00 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.12 3cma s ASP 79 Cb 0.00 2.13 0.00 0.00 1.01 0.00 0.00 42.92 46.06 3cma s ASP 79 CO 0.00 -0.26 0.00 0.47 0.21 0.00 0.00 175.17 175.59 3cma n ASP 80 N 5.43 0.00 -3.18 0.27 9.92 -1.23 -4.73 116.55 123.03 3cma n ASP 80 Ca -0.01 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.01 3cma n ASP 80 Cb 0.51 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.93 3cma n ASP 80 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3cma n VAL 81 N 0.00 1.28 0.00 2.53 0.31 -1.26 -2.44 118.33 118.74 3cma n VAL 81 Ca 0.00 -4.90 0.00 0.00 -0.01 0.00 0.00 64.34 59.43 3cma n VAL 81 Cb 0.00 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 3cma n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cma n ALA 82 N 0.54 0.00 0.00 3.52 0.00 -1.26 -4.91 120.51 118.40 3cma n ALA 82 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3cma n ALA 82 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3cma n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cma n GLU 83 N 0.00 0.00 -4.05 0.00 0.28 -1.26 -4.90 120.64 110.71 3cma n GLU 83 Ca 0.00 0.25 -0.32 0.00 -0.16 0.00 0.00 57.16 56.93 3cma n GLU 83 Cb 0.00 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 31.14 3cma n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3cma s PHE 89 N -2.43 3.32 -0.21 -1.84 0.40 0.54 -5.08 117.98 112.68 3cma s PHE 89 Ca 0.00 0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.43 3cma s PHE 89 Cb 0.00 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 3cma s PHE 89 CO 0.00 0.56 0.12 0.50 0.70 0.00 0.00 175.22 177.10 3cma s ARG 90 N -1.99 4.07 -0.02 0.44 3.52 -1.02 -0.04 118.95 123.91 3cma s ARG 90 Ca 0.26 -0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.58 3cma s ARG 90 Cb -0.12 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3cma s ARG 90 CO 0.18 0.20 0.03 0.54 -0.81 0.00 0.00 175.30 175.43 3cma s VAL 91 N 0.64 -0.05 -0.79 7.11 0.11 0.34 -3.48 120.40 124.27 3cma s VAL 91 Ca 0.06 0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 59.17 3cma s VAL 91 Cb -0.12 -0.10 0.13 0.00 -1.53 0.00 0.00 36.38 34.76 3cma s VAL 91 CO 0.01 0.10 0.94 -0.62 -3.33 0.00 0.00 175.10 172.20 3cma s ASP 92 N 1.20 6.48 0.43 3.54 -1.08 -1.26 -0.67 116.67 125.31 3cma s ASP 92 Ca -0.07 -1.86 0.28 0.00 -0.52 0.00 0.00 52.55 50.38 3cma s ASP 92 Cb -0.13 -2.35 1.37 0.00 -1.46 0.00 0.00 42.92 40.36 3cma s ASP 92 CO -0.03 -1.05 1.64 0.58 0.52 0.00 0.00 175.17 176.83 3cma h VAL 93 N 5.70 0.17 -0.87 1.11 2.07 -1.40 0.39 116.25 123.41 3cma h VAL 93 Ca -0.03 -0.04 0.20 0.00 0.82 0.00 0.00 66.70 67.65 3cma h VAL 93 Cb 1.05 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3cma h VAL 93 CO 1.06 0.02 0.58 0.03 0.02 0.00 0.00 177.57 179.28 3cma h ARG 94 N 0.13 0.35 -0.53 1.57 3.08 -1.91 0.84 114.38 117.91 3cma h ARG 94 Ca 0.79 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.82 3cma h ARG 94 Cb 2.40 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.37 3cma h ARG 94 CO -0.43 0.23 0.00 -0.25 -1.07 0.00 0.00 179.97 178.46 3cma n ASP 95 N -4.48 2.27 0.01 7.04 8.00 0.14 -4.21 116.55 125.31 3cma n ASP 95 Ca 0.18 -2.17 -0.03 0.00 0.71 0.00 0.00 54.79 53.49 3cma n ASP 95 Cb 0.70 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3cma n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3cma n VAL 96 N 0.37 1.24 -1.71 2.53 0.31 0.28 -5.05 118.33 116.30 3cma n VAL 96 Ca 0.11 0.30 -0.43 0.00 -0.01 0.00 0.00 64.34 64.31 3cma n VAL 96 Cb 0.43 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 3cma n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3cma n VAL 97 N -3.73 1.76 -2.92 2.52 0.31 -0.75 -5.01 118.33 110.50 3cma n VAL 97 Ca -0.05 -0.44 -0.28 0.00 -0.01 0.00 0.00 64.34 63.57 3cma n VAL 97 Cb 0.19 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.48 3cma n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cma s GLU 98 N -1.56 3.60 0.00 5.55 2.02 -1.26 -3.80 118.70 123.25 3cma s GLU 98 Ca 0.58 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.71 3cma s GLU 98 Cb -0.57 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.19 3cma s GLU 98 CO 0.59 -0.04 0.00 0.39 0.02 0.00 0.00 175.26 176.22 3cma n GLU 99 N -1.75 0.00 0.00 1.61 1.02 -1.26 -4.81 120.64 115.45 3cma n GLU 99 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3cma n GLU 99 Cb 0.55 -2.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.53 3cma n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cma n ALA 100 N 0.46 1.56 -0.08 0.62 0.00 -1.25 -2.63 120.51 119.19 3cma n ALA 100 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3cma n ALA 100 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 3cma n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cma n ASP 101 N -0.68 1.69 -0.78 0.00 8.00 -1.26 -4.40 116.55 119.13 3cma n ASP 101 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.80 3cma n ASP 101 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3cma n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3cma n ASP 102 N -4.21 1.96 -4.46 -2.24 5.75 -1.08 -4.73 116.55 107.54 3cma n ASP 102 Ca -0.12 -1.87 -0.31 0.00 -0.01 0.00 0.00 54.79 52.48 3cma n ASP 102 Cb 0.45 -0.47 -0.13 0.00 -1.03 0.00 0.00 41.12 39.94 3cma n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cma s ALA 103 N -0.41 2.60 0.42 2.12 0.00 -1.14 -4.99 121.76 120.36 3cma s ALA 103 Ca 0.00 -1.12 0.34 0.00 0.00 0.00 0.00 51.96 51.18 3cma s ALA 103 Cb 0.00 -0.80 1.73 0.00 0.00 0.00 0.00 23.12 24.05 3cma s ALA 103 CO 0.00 0.57 2.15 -0.44 0.00 0.00 0.00 175.76 178.04 3cma h ASP 104 N 4.82 0.00 0.00 0.00 3.32 -1.57 -3.47 116.42 119.52 3cma h ASP 104 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3cma h ASP 104 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3cma h ASP 104 CO 0.49 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3cma n TYR 105 N -3.36 0.00 -4.12 4.55 0.18 -1.26 -5.02 117.16 108.13 3cma n TYR 105 Ca -0.02 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.42 3cma n TYR 105 Cb 0.20 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.05 3cma n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3cma s VAL 106 N -2.00 4.31 -0.03 -3.48 1.01 -1.26 -0.43 120.40 118.52 3cma s VAL 106 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3cma s VAL 106 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3cma s VAL 106 CO 0.00 0.45 -0.24 -0.75 0.00 0.00 0.00 175.10 174.56 3cma s LYS 107 N 0.63 2.03 -0.28 2.72 2.20 -0.81 -1.55 119.74 124.68 3cma s LYS 107 Ca 0.01 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.68 3cma s LYS 107 Cb -0.14 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.26 3cma s LYS 107 CO 0.02 0.47 0.12 0.08 -0.36 0.00 0.00 175.35 175.68 3cma s VAL 108 N -0.45 4.59 0.21 4.02 1.01 -0.06 -1.94 120.40 127.77 3cma s VAL 108 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3cma s VAL 108 Cb -0.10 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3cma s VAL 108 CO 0.00 0.23 0.43 -0.76 0.00 0.00 0.00 175.10 175.00 3cma s LEU 109 N 1.64 4.19 -1.02 3.92 1.43 0.18 -2.18 118.68 126.84 3cma s LEU 109 Ca 0.06 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.66 3cma s LEU 109 Cb -0.16 -3.29 0.32 0.00 0.03 0.00 0.00 46.19 43.09 3cma s LEU 109 CO 0.06 -0.06 1.68 0.61 0.23 0.00 0.00 176.35 178.86 3cma n GLY 110 N -0.59 5.81 3.58 -3.19 0.00 -1.26 -1.70 105.19 107.85 3cma n GLY 110 Ca -0.03 -2.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 3cma n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 111 N -3.81 3.33 0.00 4.61 0.00 -1.26 -4.65 121.76 119.98 3cma s ALA 111 Ca 0.37 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3cma s ALA 111 Cb 0.15 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3cma s ALA 111 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3cma n GLY 112 N 3.90 -1.60 3.78 0.00 0.00 -1.26 -1.87 105.19 108.14 3cma n GLY 112 Ca -0.16 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.57 3cma n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cma s GLN 113 N 0.00 2.77 -0.42 1.61 -0.21 -1.26 -4.86 119.66 117.30 3cma s GLN 113 Ca 0.00 -1.09 0.02 0.00 0.02 0.00 0.00 55.36 54.31 3cma s GLN 113 Cb 0.00 -2.49 0.13 0.00 1.00 0.00 0.00 33.01 31.65 3cma s GLN 113 CO 0.00 0.41 0.21 0.08 -2.12 0.00 0.00 175.29 173.88 3cma s VAL 114 N -2.07 1.37 -0.24 1.09 1.01 -1.26 -4.32 120.40 115.99 3cma s VAL 114 Ca 0.32 -2.40 -0.00 0.00 0.00 0.00 0.00 61.98 59.89 3cma s VAL 114 Cb -0.08 -1.97 0.19 0.00 0.00 0.00 0.00 36.38 34.52 3cma s VAL 114 CO 0.23 -0.86 1.88 0.54 0.00 0.00 0.00 175.10 176.89 3cma n ARG 115 N 3.73 1.61 -3.93 2.72 1.74 -1.26 -4.86 116.66 116.42 3cma n ARG 115 Ca 0.07 -1.24 -0.09 0.00 -0.77 0.00 0.00 57.85 55.83 3cma n ARG 115 Cb 0.36 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3cma n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3cma s HIS 116 N -1.42 0.15 -0.32 -1.55 3.76 -1.26 -5.12 115.29 109.53 3cma s HIS 116 Ca 0.24 -0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 3cma s HIS 116 Cb 0.19 0.45 -0.02 0.00 1.11 0.00 0.00 32.58 34.32 3cma s HIS 116 CO 0.01 -1.16 0.32 -1.21 -0.85 0.00 0.00 174.74 171.84 3cma s GLU 117 N -3.74 3.66 0.02 1.40 2.02 -1.26 -4.79 118.70 116.02 3cma s GLU 117 Ca 0.18 -0.38 0.08 0.00 0.02 0.00 0.00 54.97 54.87 3cma s GLU 117 Cb -0.03 -3.77 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 3cma s GLU 117 CO 0.09 -0.43 -0.25 -0.51 0.02 0.00 0.00 175.26 174.18 3cma s LEU 118 N 1.94 2.12 -0.70 1.80 1.43 -1.26 -0.34 118.68 123.67 3cma s LEU 118 Ca 0.11 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3cma s LEU 118 Cb -0.17 -1.23 0.17 0.00 0.03 0.00 0.00 46.19 44.99 3cma s LEU 118 CO 0.11 0.26 0.52 -0.89 0.23 0.00 0.00 176.35 176.58 3cma s THR 119 N -0.72 3.49 0.07 5.49 2.01 0.95 -0.71 115.64 126.22 3cma s THR 119 Ca 0.10 -3.61 -0.25 0.00 0.31 0.00 0.00 61.69 58.24 3cma s THR 119 Cb -0.10 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 3cma s THR 119 CO 0.01 -0.95 0.77 -0.76 -0.69 0.00 0.00 174.62 172.99 3cma s LEU 120 N -0.82 4.48 -0.23 4.42 1.43 -0.88 -0.51 118.68 126.57 3cma s LEU 120 Ca 0.22 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 3cma s LEU 120 Cb -0.14 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.90 3cma s LEU 120 CO -0.08 0.06 -0.10 -0.63 0.23 0.00 0.00 176.35 175.82 3cma s ILE 121 N -0.28 1.86 0.26 -0.59 1.01 0.16 0.03 121.20 123.65 3cma s ILE 121 Ca 0.38 -1.30 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3cma s ILE 121 Cb -0.21 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 3cma s ILE 121 CO 0.24 0.06 0.38 0.00 0.00 0.00 0.00 174.94 175.61 3cma s ALA 122 N 1.27 0.41 -1.11 9.38 0.00 -1.03 -0.91 121.76 129.78 3cma s ALA 122 Ca -0.05 -1.27 0.28 0.00 0.00 0.00 0.00 51.96 50.92 3cma s ALA 122 Cb -0.18 1.19 1.27 0.00 0.00 0.00 0.00 23.12 25.40 3cma s ALA 122 CO -0.07 -0.76 1.93 -0.25 0.00 0.00 0.00 175.76 176.61 3cma n ASP 123 N -0.60 0.00 0.00 0.00 8.00 -0.59 -1.18 116.55 122.18 3cma n ASP 123 Ca 0.00 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3cma n ASP 123 Cb 0.63 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3cma n ASP 123 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3cma n ASP 124 N -1.44 0.00 -4.30 -2.24 2.03 -1.02 -4.02 116.55 105.56 3cma n ASP 124 Ca 0.09 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.24 3cma n ASP 124 Cb 0.30 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.60 3cma n ASP 124 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3cma s PHE 125 N -2.00 1.44 0.10 -0.67 0.40 -1.26 -0.88 117.98 115.11 3cma s PHE 125 Ca 0.00 -1.03 0.02 0.00 -0.60 0.00 0.00 56.93 55.32 3cma s PHE 125 Cb 0.00 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 3cma s PHE 125 CO 0.00 -0.19 0.18 -1.54 0.70 0.00 0.00 175.22 174.37 3cma s SER 126 N -3.26 5.96 0.18 1.36 1.04 -0.93 -4.91 113.70 113.14 3cma s SER 126 Ca 0.30 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.56 3cma s SER 126 Cb 0.07 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.50 3cma s SER 126 CO 0.09 0.13 1.55 -0.08 0.98 0.00 0.00 173.24 175.90 3cma h GLU 127 N 2.81 -0.08 -0.05 4.02 4.81 -2.01 0.90 114.58 124.98 3cma h GLU 127 Ca -0.47 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3cma h GLU 127 Cb 1.18 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 3cma h GLU 127 CO 0.69 -0.05 0.05 0.78 -0.73 0.00 0.00 179.01 179.74 3cma h GLY 128 N -0.08 0.00 1.06 1.92 0.00 -1.95 -2.10 103.07 101.91 3cma h GLY 128 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 3cma h GLY 128 CO -0.87 0.00 0.16 0.00 0.00 0.00 0.00 176.54 175.83 3cma h ALA 129 N 1.95 0.90 0.41 3.60 0.00 0.56 -2.61 119.26 124.08 3cma h ALA 129 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3cma h ALA 129 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3cma h ALA 129 CO -0.00 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.68 3cma h ARG 130 N 1.03 -0.53 -1.85 0.00 3.08 -0.95 -1.84 114.38 113.32 3cma h ARG 130 Ca 0.21 0.04 0.55 0.00 0.07 0.00 0.00 59.98 60.85 3cma h ARG 130 Cb 0.38 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 3cma h ARG 130 CO 0.00 -0.32 1.31 0.39 -1.07 0.00 0.00 179.97 180.29 3cma n GLU 131 N -5.15 -0.01 -0.08 0.04 1.02 -0.97 0.61 120.64 116.11 3cma n GLU 131 Ca -0.07 1.11 -0.09 0.00 -0.02 0.00 0.00 57.16 58.08 3cma n GLU 131 Cb 0.24 -2.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.13 3cma n GLU 131 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3cma h LYS 132 N 0.00 0.00 -0.43 3.49 1.57 -1.48 -2.95 116.57 116.76 3cma h LYS 132 Ca 0.92 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.77 3cma h LYS 132 Cb 3.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 35.82 3cma h LYS 132 CO -0.10 0.32 0.09 0.28 -0.57 0.00 0.00 179.45 179.46 3cma h VAL 133 N -1.00 0.77 0.17 0.50 2.07 -0.07 -2.64 116.25 116.05 3cma h VAL 133 Ca -0.10 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3cma h VAL 133 Cb 0.70 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3cma h VAL 133 CO -0.06 0.04 -0.08 -0.33 0.02 0.00 0.00 177.57 177.16 3cma h GLU 134 N 0.22 -0.22 0.00 1.57 5.08 0.08 -1.91 114.58 119.40 3cma h GLU 134 Ca 0.21 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3cma h GLU 134 Cb 0.26 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3cma h GLU 134 CO -0.27 0.05 0.06 0.41 -1.00 0.00 0.00 179.01 178.26 3cma n GLY 135 N -0.48 -0.09 1.58 -3.84 0.00 -1.01 -0.13 105.19 101.21 3cma n GLY 135 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3cma n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma n ALA 136 N -0.96 4.54 -3.57 4.61 0.00 -1.09 -4.91 120.51 119.14 3cma n ALA 136 Ca 0.00 -3.62 -0.25 0.00 0.00 0.00 0.00 53.44 49.58 3cma n ALA 136 Cb 0.06 -0.34 0.06 0.00 0.00 0.00 0.00 19.45 19.23 3cma n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 137 N -0.83 -0.54 3.57 0.00 0.00 0.82 -4.04 105.19 104.17 3cma n GLY 137 Ca 0.35 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.35 3cma n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cma s GLY 138 N -3.21 2.01 0.20 -0.02 0.00 -0.73 -4.56 107.32 101.01 3cma s GLY 138 Ca 0.56 -1.94 0.11 0.00 0.00 0.00 0.00 44.72 43.45 3cma s GLY 138 CO 0.69 -1.93 -0.24 -1.35 0.00 0.00 0.00 173.10 170.27 3cma s SER 139 N -3.63 3.45 -0.14 1.64 1.04 0.12 -3.75 113.70 112.42 3cma s SER 139 Ca 0.33 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.89 3cma s SER 139 Cb -0.01 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.86 3cma s SER 139 CO 0.18 0.11 -0.18 0.54 0.98 0.00 0.00 173.24 174.87 3cma s VAL 140 N -1.74 1.79 -0.24 5.02 0.11 -1.26 -2.07 120.40 122.00 3cma s VAL 140 Ca 0.22 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 3cma s VAL 140 Cb -0.08 -1.62 0.05 0.00 -1.53 0.00 0.00 36.38 33.20 3cma s VAL 140 CO 0.10 0.50 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.63 3cma s GLU 141 N 1.14 2.48 0.27 1.54 2.02 0.11 -4.98 118.70 121.27 3cma s GLU 141 Ca -0.01 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 3cma s GLU 141 Cb -0.14 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.17 3cma s GLU 141 CO -0.07 -0.47 1.07 -1.17 0.02 0.00 0.00 175.26 174.64 3cma s LEU 142 N 1.17 4.57 0.77 1.80 2.96 -1.26 -2.45 118.68 126.25 3cma s LEU 142 Ca -0.05 2.20 -0.12 0.00 -0.22 0.00 0.00 54.13 55.95 3cma s LEU 142 Cb -0.18 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 42.94 3cma s LEU 142 CO -0.07 -0.08 1.10 -0.89 -1.32 0.00 0.00 176.35 175.09 3cma s THR 143 N -1.17 3.10 0.24 3.68 2.01 -0.32 -4.83 115.64 118.35 3cma s THR 143 Ca 0.44 0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.74 3cma s THR 143 Cb -0.31 -3.19 0.22 0.00 0.01 0.00 0.00 72.50 69.24 3cma s THR 143 CO 0.39 -0.47 1.87 0.44 -0.69 0.00 0.00 174.62 176.17 3cma h ASP 144 N -0.97 0.93 -0.59 3.53 3.32 -1.96 0.76 116.42 121.44 3cma h ASP 144 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3cma h ASP 144 Cb 1.27 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3cma h ASP 144 CO 0.61 0.62 0.25 0.25 -1.72 0.00 0.00 179.24 179.25 3cma h LEU 145 N 1.08 0.83 -0.67 1.55 6.46 -1.93 0.22 115.31 122.85 3cma h LEU 145 Ca 0.37 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3cma h LEU 145 Cb 0.07 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 3cma h LEU 145 CO -0.14 0.74 0.17 0.61 -0.62 0.00 0.00 178.44 179.20 3cma n GLY 146 N -1.01 -0.58 2.27 3.75 0.00 0.26 -3.10 105.19 106.78 3cma n GLY 146 Ca 0.05 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3cma n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cma n GLU 147 N -1.84 3.51 0.00 1.61 1.02 0.76 -3.87 120.64 121.83 3cma n GLU 147 Ca -0.01 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 3cma n GLU 147 Cb 0.18 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 3cma n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cma n GLU 148 N 3.41 1.60 -3.41 3.49 1.02 -1.18 -4.98 120.64 120.59 3cma n GLU 148 Ca 0.74 -1.04 -0.44 0.00 -0.02 0.00 0.00 57.16 56.41 3cma n GLU 148 Cb 0.32 -0.81 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 3cma n GLU 148 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3cma s ARG 149 N -0.56 2.88 0.00 3.49 0.52 -1.25 -5.24 118.95 118.79 3cma s ARG 149 Ca 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 3cma s ARG 149 Cb 0.00 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 31.30 3cma s ARG 149 CO 0.00 -1.27 0.00 0.94 0.02 0.00 0.00 175.30 174.99