#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LEU 3 N 0.00 0.00 -1.05 0.55 0.00 -1.26 -2.68 117.00 112.57 3i20 n LEU 3 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 56.01 56.16 3i20 n LEU 3 Cb 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 43.42 43.33 3i20 n LEU 3 CO 0.00 -0.01 0.16 -0.46 0.00 0.00 0.00 177.39 177.09 3i20 n ASN 4 N -1.12 0.73 0.00 1.96 2.04 -1.26 -4.78 115.26 112.84 3i20 n ASN 4 Ca 0.19 -2.14 0.00 0.00 -0.44 0.00 0.00 54.58 52.18 3i20 n ASN 4 Cb 0.16 -0.28 0.00 0.00 -2.53 0.00 0.00 39.78 37.13 3i20 n ASN 4 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 3i20 n THR 5 N 0.17 0.00 -3.62 5.53 -2.24 -1.09 -4.99 114.28 108.03 3i20 n THR 5 Ca 0.05 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 3i20 n THR 5 Cb 0.95 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 70.30 3i20 n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3i20 s LEU 6 N -0.64 4.41 0.27 3.22 0.05 -1.23 -5.08 118.68 119.67 3i20 s LEU 6 Ca 0.00 0.74 0.05 0.00 0.05 0.00 0.00 54.13 54.97 3i20 s LEU 6 Cb 0.00 -2.40 -0.06 0.00 -2.05 0.00 0.00 46.19 41.69 3i20 s LEU 6 CO 0.00 0.31 -0.03 -0.94 -0.55 0.00 0.00 176.35 175.14 3i20 s SER 7 N -0.79 2.38 0.65 1.48 1.04 -1.26 -5.08 113.70 112.13 3i20 s SER 7 Ca 0.20 -1.22 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 3i20 s SER 7 Cb -0.15 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3i20 s SER 7 CO 0.09 -0.43 1.05 -2.16 0.98 0.00 0.00 173.24 172.77 3i20 s PRO 8 N -3.79 3.27 0.39 4.02 0.04 -1.26 -5.00 135.00 132.68 3i20 s PRO 8 Ca 0.30 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 3i20 s PRO 8 Cb 0.05 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 3i20 s PRO 8 CO 0.11 -0.76 1.37 0.00 0.04 0.00 0.00 177.00 177.76 3i20 n ALA 9 N -2.84 1.74 -1.86 8.56 0.00 -1.26 -4.87 120.51 119.98 3i20 n ALA 9 Ca 0.06 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 3i20 n ALA 9 Cb 0.55 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 3i20 n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i20 s GLU 10 N -2.13 4.21 0.00 0.00 2.56 -1.26 -1.15 118.70 120.93 3i20 s GLU 10 Ca 0.57 2.40 0.00 0.00 0.00 0.00 0.00 54.97 57.95 3i20 s GLU 10 Cb -0.51 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 32.52 3i20 s GLU 10 CO 0.61 -0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.16 3i20 n GLY 11 N 2.85 1.02 0.02 -1.50 0.00 -1.26 -4.94 105.19 101.38 3i20 n GLY 11 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3i20 n GLY 11 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3i20 h SER 12 N 0.00 -0.04 -0.64 1.61 0.87 -1.48 -3.35 113.55 110.51 3i20 h SER 12 Ca 0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.84 3i20 h SER 12 Cb 0.00 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 61.88 3i20 h SER 12 CO 0.00 -0.01 2.59 0.29 -0.53 0.00 0.00 176.83 179.17 3i20 n LYS 13 N -2.26 3.15 -0.69 2.24 4.76 -1.26 -4.96 118.16 119.13 3i20 n LYS 13 Ca -0.01 -3.03 -0.31 0.00 -2.87 0.00 0.00 58.31 52.09 3i20 n LYS 13 Cb 0.02 -3.20 0.16 0.00 -1.84 0.00 0.00 35.03 30.18 3i20 n LYS 13 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3i20 n LYS 14 N 5.71 -0.62 0.00 1.97 4.81 -1.26 -4.99 118.16 123.79 3i20 n LYS 14 Ca 0.47 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3i20 n LYS 14 Cb 0.39 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3i20 n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i20 n ALA 15 N -4.12 0.00 0.00 3.14 0.00 -1.26 -5.07 120.51 113.20 3i20 n ALA 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i20 n ALA 15 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i20 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 16 N 0.00 3.42 3.66 0.00 0.00 -1.26 -5.10 105.19 105.90 3i20 n GLY 16 Ca 0.00 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3i20 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 17 N 0.00 2.62 -0.10 1.61 5.02 -1.26 -4.93 118.16 121.12 3i20 n LYS 17 Ca 0.00 0.94 -0.19 0.00 -2.02 0.00 0.00 58.31 57.05 3i20 n LYS 17 Cb 0.00 -2.95 -0.10 0.00 -0.02 0.00 0.00 35.03 31.96 3i20 n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i20 h ARG 18 N 10.77 0.00 -1.85 1.97 3.08 -1.99 -3.51 114.38 122.86 3i20 h ARG 18 Ca -0.49 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.65 3i20 h ARG 18 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 3i20 h ARG 18 CO 0.95 0.86 -0.57 -0.11 -1.07 0.00 0.00 179.97 180.02 3i20 n LEU 19 N -4.48 -0.70 -3.97 3.04 0.00 -1.26 -4.80 117.00 104.83 3i20 n LEU 19 Ca -0.26 1.35 -0.30 0.00 0.00 0.00 0.00 56.01 56.80 3i20 n LEU 19 Cb 0.60 -1.32 0.01 0.00 0.00 0.00 0.00 43.42 42.71 3i20 n LEU 19 CO 0.19 -0.74 0.01 0.61 0.00 0.00 0.00 177.39 177.46 3i20 n GLY 20 N -2.61 -0.42 2.70 -3.96 0.00 -0.00 -4.92 105.19 95.97 3i20 n GLY 20 Ca -0.02 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3i20 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i20 n ARG 21 N -4.53 1.72 0.00 1.61 3.00 -1.25 -4.71 116.66 112.50 3i20 n ARG 21 Ca -0.03 -3.51 0.00 0.00 -0.00 0.00 0.00 57.85 54.31 3i20 n ARG 21 Cb 0.55 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.47 3i20 n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i20 n GLY 22 N -0.40 0.38 0.00 5.14 0.00 -1.26 -4.63 105.19 104.42 3i20 n GLY 22 Ca 0.12 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3i20 n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i20 n ILE 23 N 0.49 0.00 -0.22 -0.61 5.41 -1.26 -3.25 119.36 119.91 3i20 n ILE 23 Ca 0.00 1.30 0.01 0.00 1.00 0.00 0.00 62.75 65.06 3i20 n ILE 23 Cb 0.00 -2.12 0.05 0.00 -0.71 0.00 0.00 39.64 36.86 3i20 n ILE 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i20 n GLY 24 N -0.87 -1.12 0.14 7.39 0.00 -1.26 0.84 105.19 110.30 3i20 n GLY 24 Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 46.02 46.74 3i20 n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i20 n SER 25 N -4.90 0.01 0.00 1.61 3.41 -1.20 -4.83 113.62 107.72 3i20 n SER 25 Ca 0.07 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 3i20 n SER 25 Cb 0.26 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3i20 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i20 n GLY 26 N -1.17 2.20 3.41 5.00 0.00 0.25 -4.94 105.19 109.93 3i20 n GLY 26 Ca 0.11 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 3i20 n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i20 s LEU 27 N 0.00 5.37 0.02 0.99 0.05 -1.26 -4.93 118.68 118.92 3i20 s LEU 27 Ca 0.00 -1.89 -0.00 0.00 0.05 0.00 0.00 54.13 52.29 3i20 s LEU 27 Cb 0.00 -2.34 -0.02 0.00 -2.05 0.00 0.00 46.19 41.78 3i20 s LEU 27 CO 0.00 -1.03 -0.03 -0.83 -0.55 0.00 0.00 176.35 173.91 3i20 s GLY 28 N 3.37 0.26 0.50 -3.48 0.00 -1.26 -0.82 107.32 105.88 3i20 s GLY 28 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3i20 s GLY 28 CO -0.03 -0.71 0.00 1.17 0.00 0.00 0.00 173.10 173.53 3i20 n LYS 29 N 1.49 -3.75 0.00 2.90 4.81 -1.26 -4.21 118.16 118.14 3i20 n LYS 29 Ca -0.23 2.87 0.00 0.00 -0.87 0.00 0.00 58.31 60.08 3i20 n LYS 29 Cb 0.55 -3.47 0.00 0.00 0.02 0.00 0.00 35.03 32.14 3i20 n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i20 n THR 30 N -1.98 0.00 -1.02 3.15 -2.24 -1.26 -4.10 114.28 106.83 3i20 n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i20 n THR 30 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3i20 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 31 N 0.00 0.93 1.97 3.38 0.00 -1.26 -3.94 105.19 106.27 3i20 n GLY 31 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i20 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 32 N -1.43 0.39 0.45 -0.02 0.00 -1.26 -4.82 105.19 98.50 3i20 n GLY 32 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.14 3i20 n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i20 n ARG 33 N -1.48 2.86 0.00 1.61 1.85 -1.25 -5.09 116.66 115.16 3i20 n ARG 33 Ca 0.00 -1.96 0.00 0.00 -1.00 0.00 0.00 57.85 54.89 3i20 n ARG 33 Cb 0.37 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.54 3i20 n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i20 n GLY 34 N 0.07 1.44 2.94 2.89 0.00 -1.26 -4.45 105.19 106.82 3i20 n GLY 34 Ca 0.09 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3i20 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i20 s HIS 35 N 0.00 1.68 0.28 1.61 3.76 -1.26 -4.85 115.29 116.51 3i20 s HIS 35 Ca 0.00 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 3i20 s HIS 35 Cb 0.00 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.36 3i20 s HIS 35 CO 0.00 -0.55 0.00 1.63 -0.85 0.00 0.00 174.74 174.97 3i20 n LYS 36 N 4.84 -2.48 0.00 1.40 5.02 -1.26 -4.99 118.16 120.68 3i20 n LYS 36 Ca -0.14 1.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.78 3i20 n LYS 36 Cb 0.50 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 3i20 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i20 n GLY 37 N -3.60 0.22 0.34 0.72 0.00 -1.26 -4.01 105.19 97.60 3i20 n GLY 37 Ca 0.01 -1.72 0.19 0.00 0.00 0.00 0.00 46.02 44.50 3i20 n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i20 h GLN 38 N 0.00 0.00 0.00 1.61 4.15 -1.97 -2.42 115.11 116.47 3i20 h GLN 38 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i20 h GLN 38 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3i20 h GLN 38 CO 0.00 0.00 -0.95 1.63 -1.93 0.00 0.00 178.83 177.58 3i20 n LYS 39 N -3.15 0.27 0.00 1.69 5.02 -1.26 -3.27 118.16 117.46 3i20 n LYS 39 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3i20 n LYS 39 Cb 0.22 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3i20 n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i20 n SER 40 N -1.96 0.00 -1.45 4.39 3.41 -0.91 -4.89 113.62 112.21 3i20 n SER 40 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3i20 n SER 40 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3i20 n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i20 n ARG 41 N 0.00 -2.06 -1.67 4.33 5.12 -1.26 -4.21 116.66 116.91 3i20 n ARG 41 Ca 0.00 1.79 -0.60 0.00 -1.93 0.00 0.00 57.85 57.11 3i20 n ARG 41 Cb 0.00 -2.06 -0.08 0.00 -1.16 0.00 0.00 32.46 29.16 3i20 n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i20 n SER 42 N 0.72 1.45 -3.39 0.55 2.88 -1.26 -1.02 113.62 113.55 3i20 n SER 42 Ca 0.00 1.13 -0.19 0.00 -1.33 0.00 0.00 58.87 58.48 3i20 n SER 42 Cb 0.00 -1.02 0.05 0.00 -0.75 0.00 0.00 64.21 62.49 3i20 n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i20 n GLY 43 N 3.38 -1.12 3.21 0.46 0.00 -1.26 -5.03 105.19 104.82 3i20 n GLY 43 Ca 0.25 0.53 -0.27 0.00 0.00 0.00 0.00 46.02 46.54 3i20 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i20 s GLY 44 N -3.37 0.99 0.00 -0.02 0.00 -0.19 -5.12 107.32 99.61 3i20 s GLY 44 Ca 0.41 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3i20 s GLY 44 CO 0.79 -0.68 0.00 0.61 0.00 0.00 0.00 173.10 173.81 3i20 n GLY 45 N 2.65 -0.20 3.37 0.20 0.00 -1.20 -4.72 105.19 105.28 3i20 n GLY 45 Ca -0.15 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 3i20 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i20 s VAL 46 N -2.00 2.14 0.96 1.61 -7.23 -1.26 -5.04 120.40 109.58 3i20 s VAL 46 Ca 0.00 -1.71 -0.10 0.00 -1.81 0.00 0.00 61.98 58.36 3i20 s VAL 46 Cb 0.00 -1.90 0.17 0.00 0.56 0.00 0.00 36.38 35.21 3i20 s VAL 46 CO 0.00 0.06 1.13 0.00 -0.31 0.00 0.00 175.10 175.98 3i20 s ARG 47 N -2.01 0.68 0.23 4.82 1.70 -1.26 -4.86 118.95 118.25 3i20 s ARG 47 Ca 0.12 1.45 -0.31 0.00 -0.47 0.00 0.00 55.73 56.53 3i20 s ARG 47 Cb -0.10 -1.70 -0.11 0.00 -0.57 0.00 0.00 34.95 32.48 3i20 s ARG 47 CO 0.06 -2.83 1.57 1.03 -1.08 0.00 0.00 175.30 174.04 3i20 s ARG 48 N -4.61 4.19 0.00 3.89 3.00 -1.26 -2.39 118.95 121.76 3i20 s ARG 48 Ca 0.67 2.45 0.00 0.00 0.00 0.00 0.00 55.73 58.85 3i20 s ARG 48 Cb -0.23 -3.09 0.00 0.00 0.00 0.00 0.00 34.95 31.63 3i20 s ARG 48 CO 0.59 -0.59 0.00 0.41 0.00 0.00 0.00 175.30 175.71 3i20 n GLY 49 N 2.91 2.71 3.51 -3.53 0.00 -1.26 -5.00 105.19 104.53 3i20 n GLY 49 Ca 0.11 -0.46 -0.47 0.00 0.00 0.00 0.00 46.02 45.20 3i20 n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i20 n PHE 50 N 0.00 0.55 -2.70 1.61 -0.00 -1.01 -4.77 117.46 111.14 3i20 n PHE 50 Ca 0.00 0.82 -0.06 0.00 -0.00 0.00 0.00 57.45 58.21 3i20 n PHE 50 Cb 0.00 -2.13 0.06 0.00 -0.00 0.00 0.00 39.48 37.41 3i20 n PHE 50 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i20 n GLU 51 N 0.93 1.29 0.00 -4.13 0.28 -1.26 -4.89 120.64 112.86 3i20 n GLU 51 Ca 0.14 -2.80 0.00 0.00 -0.16 0.00 0.00 57.16 54.34 3i20 n GLU 51 Cb 0.28 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 32.26 3i20 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i20 n GLY 52 N -0.42 -1.77 0.09 -1.84 0.00 -1.26 -4.27 105.19 95.72 3i20 n GLY 52 Ca 0.04 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.83 3i20 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 53 N 0.00 -1.67 3.41 -0.02 0.00 -1.26 -4.85 105.19 100.79 3i20 n GLY 53 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3i20 n GLY 53 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i20 n GLN 54 N -2.18 0.40 -2.42 1.61 7.27 -1.26 -4.87 117.38 115.92 3i20 n GLN 54 Ca 0.06 0.15 -0.43 0.00 0.07 0.00 0.00 57.00 56.85 3i20 n GLN 54 Cb 0.42 -1.43 -0.02 0.00 2.41 0.00 0.00 30.24 31.62 3i20 n GLN 54 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3i20 s MET 55 N -1.58 4.24 0.46 3.69 -2.45 -1.26 -4.70 119.30 117.70 3i20 s MET 55 Ca 0.64 1.68 -0.24 0.00 -1.25 0.00 0.00 55.69 56.51 3i20 s MET 55 Cb -0.53 -3.75 -0.07 0.00 1.25 0.00 0.00 34.83 31.72 3i20 s MET 55 CO 0.59 -0.69 1.27 -2.14 1.05 0.00 0.00 175.02 175.10 3i20 s PRO 56 N 3.41 3.66 0.52 4.11 0.02 -1.26 -4.60 135.00 140.85 3i20 s PRO 56 Ca 0.55 2.04 0.31 0.00 0.02 0.00 0.00 61.00 63.93 3i20 s PRO 56 Cb -0.22 -2.49 1.45 0.00 0.02 0.00 0.00 34.50 33.25 3i20 s PRO 56 CO 0.16 -0.71 1.84 1.25 -0.33 0.00 0.00 177.00 179.21 3i20 h LEU 57 N 2.11 0.08 -1.41 -5.54 5.85 -1.93 0.54 115.31 115.00 3i20 h LEU 57 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3i20 h LEU 57 Cb 1.26 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3i20 h LEU 57 CO 0.60 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.72 3i20 n TYR 58 N -4.29 0.44 0.00 1.25 0.18 -1.26 -3.32 117.16 110.16 3i20 n TYR 58 Ca 0.22 -0.16 0.00 0.00 1.88 0.00 0.00 57.90 59.84 3i20 n TYR 58 Cb 1.05 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.86 3i20 n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i20 n ARG 59 N 0.12 0.00 0.11 -3.48 5.12 0.19 -4.73 116.66 113.99 3i20 n ARG 59 Ca 0.06 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.12 3i20 n ARG 59 Cb 0.41 -0.60 0.65 0.00 -1.16 0.00 0.00 32.46 31.76 3i20 n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i20 h ARG 60 N 0.00 0.05 -6.15 5.56 3.08 -1.59 -3.42 114.38 111.91 3i20 h ARG 60 Ca 0.00 -0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3i20 h ARG 60 Cb 0.68 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 3i20 h ARG 60 CO 0.00 0.03 -0.10 -0.51 -1.07 0.00 0.00 179.97 178.32 3i20 s LEU 61 N -8.96 4.50 0.49 3.04 1.02 -1.21 -5.07 118.68 112.49 3i20 s LEU 61 Ca -0.05 1.14 -0.10 0.00 0.02 0.00 0.00 54.13 55.13 3i20 s LEU 61 Cb 0.18 -2.79 -0.05 0.00 0.02 0.00 0.00 46.19 43.55 3i20 s LEU 61 CO 0.71 0.29 0.87 -2.16 0.02 0.00 0.00 176.35 176.07 3i20 s PRO 62 N -1.13 3.70 0.76 1.29 0.04 -1.26 -4.92 135.00 133.48 3i20 s PRO 62 Ca 0.27 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 3i20 s PRO 62 Cb -0.18 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.13 3i20 s PRO 62 CO 0.17 -0.24 1.10 0.15 0.04 0.00 0.00 177.00 178.21 3i20 s LYS 63 N -4.42 2.38 0.00 4.56 1.02 -1.26 -4.99 119.74 117.02 3i20 s LYS 63 Ca 0.52 0.57 0.00 0.00 0.02 0.00 0.00 55.97 57.09 3i20 s LYS 63 Cb -0.10 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3i20 s LYS 63 CO 0.40 -1.40 0.03 1.97 -0.92 0.00 0.00 175.35 175.43 3i20 n PHE 64 N -3.27 0.00 0.00 3.18 1.16 -1.26 -5.15 117.46 112.12 3i20 n PHE 64 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 3i20 n PHE 64 Cb 0.57 0.13 0.00 0.00 -1.61 0.00 0.00 39.48 38.57 3i20 n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i20 n GLY 65 N 0.00 -3.01 0.00 4.97 0.00 -1.26 -5.09 105.19 100.81 3i20 n GLY 65 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3i20 n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i20 n PHE 66 N 0.00 0.00 -2.94 1.61 7.35 -1.26 -5.15 117.46 117.07 3i20 n PHE 66 Ca 0.00 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.37 3i20 n PHE 66 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 3i20 n PHE 66 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3i20 s THR 67 N 0.00 4.56 -0.15 -2.13 2.01 -1.26 -5.03 115.64 113.64 3i20 s THR 67 Ca 0.00 1.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 3i20 s THR 67 Cb 0.00 -3.62 -0.21 0.00 0.01 0.00 0.00 72.50 68.68 3i20 s THR 67 CO 0.00 -0.30 0.53 -1.28 -0.69 0.00 0.00 174.62 172.88 3i20 h SER 68 N 1.95 0.00 0.00 3.53 0.87 -2.01 -3.48 113.55 114.41 3i20 h SER 68 Ca -0.48 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 3i20 h SER 68 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3i20 h SER 68 CO 0.63 1.04 0.00 0.54 -0.53 0.00 0.00 176.83 178.51 3i20 n ARG 69 N -4.59 0.00 -0.29 2.24 1.74 -1.26 -4.39 116.66 110.10 3i20 n ARG 69 Ca -0.13 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.90 3i20 n ARG 69 Cb 0.46 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.97 3i20 n ARG 69 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i20 h LYS 70 N 0.00 1.07 0.00 5.56 3.64 -1.99 0.68 116.57 125.53 3i20 h LYS 70 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3i20 h LYS 70 Cb 0.00 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3i20 h LYS 70 CO 0.00 0.74 0.04 0.00 -2.27 0.00 0.00 179.45 177.96 3i20 h ALA 71 N 1.27 1.04 0.00 5.00 0.00 -1.93 0.17 119.26 124.82 3i20 h ALA 71 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i20 h ALA 71 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i20 h ALA 71 CO -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3i20 h ALA 72 N 1.91 1.00 -0.15 0.00 0.00 -1.20 -3.29 119.26 117.53 3i20 h ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i20 h ALA 72 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i20 h ALA 72 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3i20 n ILE 73 N -3.02 2.04 -4.03 0.00 -5.35 0.04 -4.82 119.36 104.22 3i20 n ILE 73 Ca 0.04 -1.98 -0.28 0.00 -0.27 0.00 0.00 62.75 60.26 3i20 n ILE 73 Cb 0.49 -0.20 -0.17 0.00 -1.74 0.00 0.00 39.64 38.03 3i20 n ILE 73 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i20 s THR 74 N -2.73 1.24 0.47 7.28 -4.23 -1.18 -0.66 115.64 115.84 3i20 s THR 74 Ca 0.36 -0.43 0.05 0.00 -1.18 0.00 0.00 61.69 60.49 3i20 s THR 74 Cb 0.30 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 3i20 s THR 74 CO 0.06 0.40 0.19 0.00 -0.54 0.00 0.00 174.62 174.73 3i20 s ALA 75 N 1.51 3.92 0.13 3.99 0.00 -0.85 -4.95 121.76 125.51 3i20 s ALA 75 Ca 0.03 -1.47 0.11 0.00 0.00 0.00 0.00 51.96 50.63 3i20 s ALA 75 Cb -0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3i20 s ALA 75 CO -0.08 -0.20 -0.26 -1.83 0.00 0.00 0.00 175.76 173.39 3i20 s GLU 76 N -3.99 1.45 -0.37 0.00 -1.05 -1.26 -2.21 118.70 111.26 3i20 s GLU 76 Ca 0.30 -1.33 0.01 0.00 -0.15 0.00 0.00 54.97 53.80 3i20 s GLU 76 Cb 0.02 -1.92 0.12 0.00 -0.44 0.00 0.00 34.13 31.90 3i20 s GLU 76 CO 0.17 0.45 0.17 0.42 0.95 0.00 0.00 175.26 177.42 3i20 s ILE 77 N -1.08 1.15 0.41 1.83 1.09 -0.36 -4.95 121.20 119.29 3i20 s ILE 77 Ca 0.15 -2.00 -0.25 0.00 -1.10 0.00 0.00 60.65 57.45 3i20 s ILE 77 Cb -0.10 -1.83 -0.10 0.00 -1.06 0.00 0.00 42.46 39.36 3i20 s ILE 77 CO 0.07 -0.79 1.15 0.54 -0.10 0.00 0.00 174.94 175.81 3i20 n ARG 78 N 4.17 1.68 -0.13 2.79 1.74 -1.20 -4.16 116.66 121.55 3i20 n ARG 78 Ca 0.04 0.60 0.28 0.00 -0.77 0.00 0.00 57.85 57.99 3i20 n ARG 78 Cb 0.38 -2.21 0.71 0.00 -1.02 0.00 0.00 32.46 30.33 3i20 n ARG 78 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i20 h LEU 79 N 1.90 0.00 0.17 0.55 3.38 -1.70 -1.92 115.31 117.68 3i20 h LEU 79 Ca -0.46 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3i20 h LEU 79 Cb 1.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 3i20 h LEU 79 CO 0.59 0.00 -0.34 0.77 0.09 0.00 0.00 178.44 179.55 3i20 h SER 80 N 0.00 -0.96 -0.09 -0.43 4.64 -1.52 -3.36 113.55 111.84 3i20 h SER 80 Ca 0.39 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3i20 h SER 80 Cb 1.74 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 3i20 h SER 80 CO -0.00 -0.43 0.00 0.47 -0.87 0.00 0.00 176.83 175.99 3i20 n ASP 81 N -5.43 -0.17 0.00 4.97 8.00 -0.72 -3.73 116.55 119.46 3i20 n ASP 81 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3i20 n ASP 81 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 3i20 n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i20 n LEU 82 N 0.00 0.00 0.00 0.64 0.00 -1.26 -4.04 117.00 112.34 3i20 n LEU 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3i20 n LEU 82 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.43 3i20 n LEU 82 CO 0.00 0.00 0.48 0.00 0.00 0.00 0.00 177.39 177.87 3i20 n ALA 83 N 0.00 1.10 -2.39 1.96 0.00 -1.24 -2.48 120.51 117.46 3i20 n ALA 83 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3i20 n ALA 83 Cb 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.50 3i20 n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i20 n LYS 84 N -1.43 0.83 0.15 0.00 2.85 -1.26 -4.70 118.16 114.59 3i20 n LYS 84 Ca 0.00 -2.65 0.12 0.00 -1.05 0.00 0.00 58.31 54.73 3i20 n LYS 84 Cb 0.01 -0.73 0.15 0.00 -0.65 0.00 0.00 35.03 33.81 3i20 n LYS 84 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3i20 h VAL 85 N 5.42 0.00 -4.46 0.58 3.04 -1.82 -3.48 116.25 115.54 3i20 h VAL 85 Ca -0.14 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.70 3i20 h VAL 85 Cb 1.60 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 3i20 h VAL 85 CO 0.14 0.00 -0.55 1.21 -1.01 0.00 0.00 177.57 177.36 3i20 n GLU 86 N -2.71 -2.09 0.00 4.17 2.13 -1.26 -4.75 120.64 116.13 3i20 n GLU 86 Ca 0.03 1.89 0.00 0.00 0.66 0.00 0.00 57.16 59.73 3i20 n GLU 86 Cb 0.51 -4.06 0.00 0.00 0.27 0.00 0.00 31.44 28.16 3i20 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i20 n GLY 87 N 0.18 0.88 0.00 8.31 0.00 -1.26 -4.97 105.19 108.33 3i20 n GLY 87 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i20 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 88 N 0.00 0.00 3.70 -0.02 0.00 -1.26 -4.47 105.19 103.14 3i20 n GLY 88 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i20 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s VAL 89 N 0.00 4.93 -0.63 1.61 0.11 -1.25 -3.10 120.40 122.07 3i20 s VAL 89 Ca 0.00 1.73 -0.21 0.00 -2.93 0.00 0.00 61.98 60.57 3i20 s VAL 89 Cb 0.00 -4.17 0.08 0.00 -1.53 0.00 0.00 36.38 30.76 3i20 s VAL 89 CO 0.00 0.15 0.85 -0.69 -3.33 0.00 0.00 175.10 172.08 3i20 s VAL 90 N 1.28 4.53 0.86 2.04 1.01 0.33 -4.90 120.40 125.55 3i20 s VAL 90 Ca 0.43 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 3i20 s VAL 90 Cb -0.18 -4.60 0.15 0.00 0.00 0.00 0.00 36.38 31.75 3i20 s VAL 90 CO 0.20 -1.31 1.20 -1.81 0.00 0.00 0.00 175.10 173.39 3i20 s ASP 91 N 3.62 3.79 0.49 3.32 1.01 -1.26 -1.56 116.67 126.08 3i20 s ASP 91 Ca 0.18 0.29 0.18 0.00 0.71 0.00 0.00 52.55 53.91 3i20 s ASP 91 Cb -0.20 -0.55 1.22 0.00 1.01 0.00 0.00 42.92 44.41 3i20 s ASP 91 CO 0.09 -2.29 2.08 -0.07 0.21 0.00 0.00 175.17 175.18 3i20 h LEU 92 N -1.22 0.00 0.00 1.23 3.38 -1.92 -3.40 115.31 113.38 3i20 h LEU 92 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3i20 h LEU 92 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3i20 h LEU 92 CO 0.46 0.10 0.00 -0.46 0.09 0.00 0.00 178.44 178.64 3i20 n ASN 93 N -4.26 0.00 0.00 -0.43 6.94 -1.26 -4.81 115.26 111.45 3i20 n ASN 93 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 3i20 n ASN 93 Cb 0.18 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3i20 n ASN 93 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 3i20 n THR 94 N 0.00 0.00 -0.17 5.53 5.66 -1.26 -3.44 114.28 120.59 3i20 n THR 94 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 3i20 n THR 94 Cb 0.00 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.83 3i20 n THR 94 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3i20 h LEU 95 N 0.00 -0.44 -0.81 1.09 3.38 -1.89 0.32 115.31 116.97 3i20 h LEU 95 Ca 0.00 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.32 3i20 h LEU 95 Cb 0.00 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 40.94 3i20 h LEU 95 CO 0.00 -0.16 0.19 0.50 0.09 0.00 0.00 178.44 179.06 3i20 h LYS 96 N 0.02 0.23 0.00 1.13 3.64 -1.87 0.12 116.57 119.84 3i20 h LYS 96 Ca 0.26 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 3i20 h LYS 96 Cb 0.40 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3i20 h LYS 96 CO -0.53 0.15 -0.74 0.00 -2.27 0.00 0.00 179.45 176.06 3i20 h ALA 97 N 1.70 0.65 -0.07 5.00 0.00 -1.39 -2.71 119.26 122.44 3i20 h ALA 97 Ca 0.48 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i20 h ALA 97 Cb 0.88 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3i20 h ALA 97 CO -0.59 0.92 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3i20 n ALA 98 N -2.34 2.63 -1.78 0.00 0.00 0.98 -4.87 120.51 115.13 3i20 n ALA 98 Ca -0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3i20 n ALA 98 Cb 0.76 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 3i20 n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i20 n ASN 99 N 0.02 -5.61 -0.47 0.00 5.15 -0.91 -4.83 115.26 108.61 3i20 n ASN 99 Ca 0.03 0.40 0.11 0.00 -0.60 0.00 0.00 54.58 54.52 3i20 n ASN 99 Cb 0.31 -4.88 0.03 0.00 -0.53 0.00 0.00 39.78 34.72 3i20 n ASN 99 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3i20 n ILE 100 N -2.76 0.00 0.01 -1.44 -6.64 -1.01 -4.85 119.36 102.67 3i20 n ILE 100 Ca -0.22 -0.24 -0.00 0.00 -1.77 0.00 0.00 62.75 60.52 3i20 n ILE 100 Cb 0.69 1.16 -0.00 0.00 -1.44 0.00 0.00 39.64 40.05 3i20 n ILE 100 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 3i20 n ILE 101 N -0.11 0.19 0.00 7.28 -0.00 -1.26 -4.96 119.36 120.51 3i20 n ILE 101 Ca 0.09 0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 3i20 n ILE 101 Cb 0.46 -1.10 0.00 0.00 -0.00 0.00 0.00 39.64 39.00 3i20 n ILE 101 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i20 n GLY 102 N 3.46 3.40 0.36 7.39 0.00 -1.26 -4.94 105.19 113.59 3i20 n GLY 102 Ca -0.00 -0.95 0.21 0.00 0.00 0.00 0.00 46.02 45.27 3i20 n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i20 h ILE 103 N 0.00 0.48 0.00 -0.61 2.04 -2.01 -2.38 117.51 115.03 3i20 h ILE 103 Ca 0.00 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3i20 h ILE 103 Cb 0.00 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3i20 h ILE 103 CO 0.00 0.09 -0.13 1.56 0.00 0.00 0.00 178.15 179.66 3i20 h GLN 104 N 0.48 0.00 -6.37 2.37 1.08 -1.96 -3.46 115.11 107.24 3i20 h GLN 104 Ca 0.65 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 57.24 3i20 h GLN 104 Cb 1.42 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.97 3i20 h GLN 104 CO -0.45 0.13 -0.15 -0.89 -0.95 0.00 0.00 178.83 176.53 3i20 n ILE 105 N -3.16 1.97 0.01 2.54 2.08 -0.90 -4.91 119.36 116.99 3i20 n ILE 105 Ca 0.03 -0.50 0.01 0.00 0.56 0.00 0.00 62.75 62.85 3i20 n ILE 105 Cb 0.52 -0.71 -0.02 0.00 -0.75 0.00 0.00 39.64 38.69 3i20 n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i20 n GLU 106 N 0.65 0.78 -4.05 0.38 1.02 0.17 -5.02 120.64 114.55 3i20 n GLU 106 Ca 0.11 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 3i20 n GLU 106 Cb 0.34 -1.01 -0.11 0.00 -0.02 0.00 0.00 31.44 30.65 3i20 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i20 s PHE 107 N -2.06 0.51 -0.25 -0.32 0.08 -0.79 -5.05 117.98 110.10 3i20 s PHE 107 Ca -0.01 -0.72 -0.20 0.00 0.12 0.00 0.00 56.93 56.12 3i20 s PHE 107 Cb 0.02 -0.34 0.07 0.00 -0.57 0.00 0.00 43.02 42.20 3i20 s PHE 107 CO 0.10 -0.21 0.65 0.00 -0.10 0.00 0.00 175.22 175.66 3i20 s ALA 108 N -2.40 -1.65 0.24 5.36 0.00 -1.26 -2.01 121.76 120.04 3i20 s ALA 108 Ca -0.05 1.98 0.08 0.00 0.00 0.00 0.00 51.96 53.97 3i20 s ALA 108 Cb -0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3i20 s ALA 108 CO -0.04 -0.32 0.05 0.15 0.00 0.00 0.00 175.76 175.59 3i20 s LYS 109 N 0.74 2.48 -0.22 0.00 1.02 -0.94 -0.72 119.74 122.10 3i20 s LYS 109 Ca -0.03 -1.24 -0.18 0.00 0.02 0.00 0.00 55.97 54.54 3i20 s LYS 109 Cb -0.05 -2.32 -0.15 0.00 -0.52 0.00 0.00 37.83 34.79 3i20 s LYS 109 CO -0.05 0.40 0.02 0.28 -0.92 0.00 0.00 175.35 175.07 3i20 n VAL 110 N -0.73 1.52 -0.20 3.17 0.31 -0.61 -1.22 118.33 120.57 3i20 n VAL 110 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3i20 n VAL 110 Cb 0.58 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3i20 n VAL 110 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i20 n ILE 111 N -4.42 -0.41 -3.04 2.52 -0.00 -1.26 -2.93 119.36 109.82 3i20 n ILE 111 Ca -0.34 0.19 -0.44 0.00 -0.00 0.00 0.00 62.75 62.16 3i20 n ILE 111 Cb 0.67 -0.31 -0.05 0.00 -0.00 0.00 0.00 39.64 39.96 3i20 n ILE 111 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 3i20 s LEU 112 N -3.25 4.92 -0.15 1.39 0.20 -1.26 -3.74 118.68 116.79 3i20 s LEU 112 Ca 0.00 -1.09 0.16 0.00 0.69 0.00 0.00 54.13 53.89 3i20 s LEU 112 Cb 0.00 -2.42 0.43 0.00 -0.43 0.00 0.00 46.19 43.77 3i20 s LEU 112 CO 0.00 -1.14 1.20 0.00 -0.29 0.00 0.00 176.35 176.12 3i20 n ALA 113 N 6.71 3.29 -0.49 5.97 0.00 -1.26 -4.92 120.51 129.81 3i20 n ALA 113 Ca -0.06 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.36 3i20 n ALA 113 Cb 0.44 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3i20 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 114 N -0.58 -0.26 3.17 0.00 0.00 -1.26 -4.12 105.19 102.15 3i20 n GLY 114 Ca 0.16 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3i20 n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i20 n GLU 115 N -0.82 -1.75 -3.95 1.61 1.02 -1.26 -2.63 120.64 112.86 3i20 n GLU 115 Ca 0.00 1.55 -0.14 0.00 -0.02 0.00 0.00 57.16 58.55 3i20 n GLU 115 Cb 0.00 -4.72 -0.15 0.00 -0.02 0.00 0.00 31.44 26.56 3i20 n GLU 115 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i20 s VAL 116 N -2.70 0.15 0.00 2.62 0.11 -1.26 -3.40 120.40 115.92 3i20 s VAL 116 Ca 0.12 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3i20 s VAL 116 Cb -0.03 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 3i20 s VAL 116 CO 0.80 0.07 0.00 0.41 -3.33 0.00 0.00 175.10 173.05 3i20 n THR 117 N 3.38 0.00 -1.50 5.04 -1.04 -1.26 -4.96 114.28 113.94 3i20 n THR 117 Ca -0.17 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 3i20 n THR 117 Cb 0.56 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3i20 n THR 117 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i20 n THR 118 N -1.76 1.97 -2.30 12.58 -2.24 -1.26 -4.82 114.28 116.45 3i20 n THR 118 Ca 0.00 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 3i20 n THR 118 Cb 0.00 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.51 3i20 n THR 118 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3i20 s PRO 119 N -1.62 4.30 0.04 -0.78 0.02 -1.22 -4.85 135.00 130.89 3i20 s PRO 119 Ca 0.63 1.87 0.09 0.00 0.02 0.00 0.00 61.00 63.61 3i20 s PRO 119 Cb -0.63 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.27 3i20 s PRO 119 CO 0.58 -0.56 -0.25 0.08 -0.33 0.00 0.00 177.00 176.52 3i20 s VAL 120 N 2.46 2.04 -0.24 3.83 1.01 -1.26 -4.83 120.40 123.42 3i20 s VAL 120 Ca 0.61 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3i20 s VAL 120 Cb -0.29 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3i20 s VAL 120 CO 0.25 0.35 0.10 0.28 0.00 0.00 0.00 175.10 176.07 3i20 s THR 121 N -0.79 4.65 -0.18 3.92 -1.32 -1.18 -1.57 115.64 119.17 3i20 s THR 121 Ca 0.11 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 3i20 s THR 121 Cb -0.10 -3.17 0.01 0.00 -1.51 0.00 0.00 72.50 67.73 3i20 s THR 121 CO 0.02 0.34 -0.16 0.54 -2.21 0.00 0.00 174.62 173.14 3i20 s VAL 122 N 1.41 2.42 -0.12 5.08 0.11 -0.89 -0.51 120.40 127.90 3i20 s VAL 122 Ca 0.06 -0.83 0.03 0.00 -2.93 0.00 0.00 61.98 58.31 3i20 s VAL 122 Cb -0.15 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 3i20 s VAL 122 CO 0.05 0.51 -0.23 -0.60 -3.33 0.00 0.00 175.10 171.51 3i20 s ARG 123 N 1.19 3.05 0.00 1.54 3.52 -0.60 -3.14 118.95 124.52 3i20 s ARG 123 Ca 0.02 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 3i20 s ARG 123 Cb -0.14 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 3i20 s ARG 123 CO -0.08 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 3i20 n GLY 124 N 3.73 2.72 3.84 8.12 0.00 -1.14 -3.17 105.19 119.30 3i20 n GLY 124 Ca -0.19 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3i20 n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 125 N 0.00 3.84 0.49 0.99 1.43 -1.26 -4.94 118.68 119.23 3i20 s LEU 125 Ca 0.00 1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 3i20 s LEU 125 Cb 0.00 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.79 3i20 s LEU 125 CO 0.00 -0.41 0.93 -0.60 0.23 0.00 0.00 176.35 176.49 3i20 s ARG 126 N -3.55 3.88 -0.16 1.70 3.52 0.10 -4.95 118.95 119.48 3i20 s ARG 126 Ca 0.58 0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 56.90 3i20 s ARG 126 Cb -0.10 -2.20 0.06 0.00 -1.56 0.00 0.00 34.95 31.15 3i20 s ARG 126 CO 0.23 -0.23 0.37 0.54 -0.81 0.00 0.00 175.30 175.41 3i20 s VAL 127 N -2.60 -0.16 1.05 7.11 0.11 -1.26 -1.57 120.40 123.08 3i20 s VAL 127 Ca 0.56 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.63 3i20 s VAL 127 Cb -0.10 -0.57 0.22 0.00 -1.53 0.00 0.00 36.38 34.40 3i20 s VAL 127 CO 0.33 0.05 1.07 0.42 -3.33 0.00 0.00 175.10 173.65 3i20 s THR 128 N 1.66 2.14 0.08 5.04 -4.23 -1.26 -4.74 115.64 114.34 3i20 s THR 128 Ca -0.07 0.04 -0.33 0.00 -1.18 0.00 0.00 61.69 60.15 3i20 s THR 128 Cb -0.10 -2.17 -0.16 0.00 1.34 0.00 0.00 72.50 71.41 3i20 s THR 128 CO -0.12 -0.06 1.61 0.11 -0.54 0.00 0.00 174.62 175.62 3i20 h LYS 129 N -2.23 -0.83 -0.34 3.99 1.57 -2.00 -0.66 116.57 116.05 3i20 h LYS 129 Ca -0.54 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 3i20 h LYS 129 Cb 1.31 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.73 3i20 h LYS 129 CO 0.49 -0.56 -0.56 0.78 -0.57 0.00 0.00 179.45 179.03 3i20 h GLY 130 N -0.87 -1.03 0.06 3.86 0.00 -1.98 0.56 103.07 103.67 3i20 h GLY 130 Ca -0.06 0.71 0.08 0.00 0.00 0.00 0.00 47.33 48.07 3i20 h GLY 130 CO 0.02 -0.14 -0.20 0.00 0.00 0.00 0.00 176.54 176.23 3i20 h ALA 131 N -0.10 0.07 -0.91 3.60 0.00 -1.80 0.14 119.26 120.26 3i20 h ALA 131 Ca 0.06 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.29 3i20 h ALA 131 Cb 0.62 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3i20 h ALA 131 CO -0.56 -0.57 0.59 -0.09 0.00 0.00 0.00 179.25 178.62 3i20 h ARG 132 N -0.14 0.48 0.81 0.00 2.43 -0.31 0.65 114.38 118.31 3i20 h ARG 132 Ca 0.18 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3i20 h ARG 132 Cb 0.42 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3i20 h ARG 132 CO -0.46 0.32 -0.39 0.00 -1.51 0.00 0.00 179.97 177.93 3i20 h ALA 133 N 1.61 -1.10 0.45 2.80 0.00 0.15 -2.91 119.26 120.26 3i20 h ALA 133 Ca 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3i20 h ALA 133 Cb 1.05 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3i20 h ALA 133 CO -0.20 -1.02 -0.34 0.00 0.00 0.00 0.00 179.25 177.69 3i20 h ALA 134 N -1.30 -0.80 -0.88 0.00 0.00 -0.44 0.06 119.26 115.90 3i20 h ALA 134 Ca -0.11 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.75 3i20 h ALA 134 Cb 0.84 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 3i20 h ALA 134 CO 0.18 -0.98 -0.55 0.82 0.00 0.00 0.00 179.25 178.73 3i20 h ILE 135 N -0.78 0.01 -0.52 0.00 5.03 -1.02 0.12 117.51 120.34 3i20 h ILE 135 Ca -0.04 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.66 3i20 h ILE 135 Cb 0.67 0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 3i20 h ILE 135 CO 0.00 0.00 0.19 -0.33 -0.68 0.00 0.00 178.15 177.33 3i20 h GLU 136 N -0.08 0.79 0.00 2.37 5.08 -1.47 0.47 114.58 121.74 3i20 h GLU 136 Ca 0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i20 h GLU 136 Cb 0.47 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3i20 h GLU 136 CO -0.88 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 177.84 3i20 n ALA 137 N -2.35 1.62 -1.85 3.43 0.00 0.00 -1.93 120.51 119.44 3i20 n ALA 137 Ca 0.02 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 3i20 n ALA 137 Cb 0.17 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.45 3i20 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 138 N -1.46 5.34 -0.32 0.00 0.00 0.30 -4.90 120.51 119.48 3i20 n ALA 138 Ca 0.04 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.77 3i20 n ALA 138 Cb 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3i20 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 139 N -0.76 2.35 3.69 0.00 0.00 -0.81 -3.41 105.19 106.24 3i20 n GLY 139 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 3i20 n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i20 s GLY 140 N -2.00 1.57 -0.06 -0.02 0.00 0.16 -4.55 107.32 102.42 3i20 s GLY 140 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.30 3i20 s GLY 140 CO 0.00 0.25 0.19 1.25 0.00 0.00 0.00 173.10 174.79 3i20 s LYS 141 N -4.98 0.28 -0.29 2.90 2.47 -0.61 -4.25 119.74 115.26 3i20 s LYS 141 Ca 0.65 0.16 -0.03 0.00 -1.56 0.00 0.00 55.97 55.19 3i20 s LYS 141 Cb -0.18 0.13 0.10 0.00 -1.46 0.00 0.00 37.83 36.41 3i20 s LYS 141 CO 0.57 -0.04 0.11 0.42 0.16 0.00 0.00 175.35 176.57 3i20 s ILE 142 N -0.15 0.29 0.17 5.43 1.01 -1.26 -2.10 121.20 124.58 3i20 s ILE 142 Ca -0.03 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.73 3i20 s ILE 142 Cb -0.02 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3i20 s ILE 142 CO 0.01 -0.67 0.07 -1.83 0.00 0.00 0.00 174.94 172.51 3i20 s GLU 143 N 1.92 2.65 0.00 2.79 -1.05 -1.19 -5.04 118.70 118.78 3i20 s GLU 143 Ca 0.09 -0.99 0.29 0.00 -0.15 0.00 0.00 54.97 54.21 3i20 s GLU 143 Cb -0.16 -2.50 1.24 0.00 -0.44 0.00 0.00 34.13 32.26 3i20 s GLU 143 CO -0.30 0.47 1.85 -0.85 0.95 0.00 0.00 175.26 177.38