#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 s ARG 2 N 0.00 3.77 -0.20 0.03 1.70 -1.26 -5.08 118.95 117.92 2aw4 s ARG 2 Ca 0.00 -0.18 -0.14 0.00 -0.47 0.00 0.00 55.73 54.94 2aw4 s ARG 2 Cb 0.00 -3.28 -0.04 0.00 -0.57 0.00 0.00 34.95 31.06 2aw4 s ARG 2 CO 0.00 0.56 0.32 -0.51 -1.08 0.00 0.00 175.30 174.59 2aw4 s LEU 3 N -0.39 4.17 0.00 -1.89 1.43 -1.26 -4.95 118.68 115.80 2aw4 s LEU 3 Ca 0.12 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 2aw4 s LEU 3 Cb -0.12 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2aw4 s LEU 3 CO 0.01 0.00 0.70 0.59 0.23 0.00 0.00 176.35 177.88 2aw4 n ASN 4 N 4.16 1.90 -2.14 2.29 4.13 -1.26 -3.99 115.26 120.35 2aw4 n ASN 4 Ca -0.11 -1.79 -0.27 0.00 1.68 0.00 0.00 54.58 54.10 2aw4 n ASN 4 Cb 0.51 -0.45 0.08 0.00 -1.54 0.00 0.00 39.78 38.39 2aw4 n ASN 4 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2aw4 n THR 5 N 0.33 3.24 -2.54 3.41 5.66 -1.26 -4.92 114.28 118.20 2aw4 n THR 5 Ca 0.00 -2.32 -0.10 0.00 -3.05 0.00 0.00 64.05 58.58 2aw4 n THR 5 Cb 0.35 -1.12 -0.00 0.00 -1.55 0.00 0.00 70.33 68.01 2aw4 n THR 5 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2aw4 n LEU 6 N -0.52 -0.91 -3.68 1.09 7.99 -1.26 -5.07 117.00 114.64 2aw4 n LEU 6 Ca 0.51 0.21 -0.10 0.00 -0.01 0.00 0.00 56.01 56.61 2aw4 n LEU 6 Cb 0.77 -1.88 -0.11 0.00 -0.11 0.00 0.00 43.42 42.09 2aw4 n LEU 6 CO 0.62 -0.07 0.00 -0.44 -1.51 0.00 0.00 177.39 175.99 2aw4 s SER 7 N -2.08 -0.30 1.15 -1.43 0.01 -1.26 -5.16 113.70 104.62 2aw4 s SER 7 Ca 0.04 0.84 -0.14 0.00 1.31 0.00 0.00 55.95 58.00 2aw4 s SER 7 Cb -0.02 0.89 0.27 0.00 0.21 0.00 0.00 66.02 67.37 2aw4 s SER 7 CO 0.04 -0.21 1.05 -2.16 0.41 0.00 0.00 173.24 172.37 2aw4 s PRO 8 N 1.87 -0.80 -0.39 12.44 0.04 -1.26 -4.96 135.00 141.94 2aw4 s PRO 8 Ca -0.06 0.53 0.05 0.00 0.04 0.00 0.00 61.00 61.56 2aw4 s PRO 8 Cb -0.10 -1.59 0.30 0.00 0.04 0.00 0.00 34.50 33.15 2aw4 s PRO 8 CO -0.12 -3.56 1.25 0.00 0.04 0.00 0.00 177.00 174.61 2aw4 n ALA 9 N -4.76 -1.53 -1.33 8.56 0.00 -1.26 -5.11 120.51 115.08 2aw4 n ALA 9 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2aw4 n ALA 9 Cb 0.57 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2aw4 n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2aw4 n GLU 10 N 0.20 0.00 0.00 0.00 1.02 -1.26 -5.11 120.64 115.49 2aw4 n GLU 10 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2aw4 n GLU 10 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.15 2aw4 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aw4 n GLY 11 N 5.00 -0.87 0.00 0.62 0.00 -1.26 -5.13 105.19 103.55 2aw4 n GLY 11 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2aw4 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aw4 n SER 12 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.13 113.62 112.26 2aw4 n SER 12 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2aw4 n SER 12 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2aw4 n SER 12 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2aw4 n LYS 13 N 0.00 0.00 0.00 4.33 2.85 -1.26 -4.97 118.16 119.11 2aw4 n LYS 13 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2aw4 n LYS 13 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2aw4 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2aw4 n LYS 14 N -0.87 0.00 -2.09 -1.58 4.76 -1.26 -4.76 118.16 112.36 2aw4 n LYS 14 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2aw4 n LYS 14 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2aw4 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aw4 n ALA 15 N 0.06 -0.21 -2.65 7.82 0.00 -1.26 -5.09 120.51 119.18 2aw4 n ALA 15 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 2aw4 n ALA 15 Cb 0.00 0.33 0.04 0.00 0.00 0.00 0.00 19.45 19.83 2aw4 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 16 N -0.15 2.79 7.00 0.00 0.00 -1.26 -5.13 105.19 108.44 2aw4 n GLY 16 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2aw4 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aw4 n LYS 17 N -0.59 0.00 -3.95 1.61 5.02 -1.26 -4.96 118.16 114.04 2aw4 n LYS 17 Ca 0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 2aw4 n LYS 17 Cb 0.83 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.81 2aw4 n LYS 17 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2aw4 s ARG 18 N 0.00 1.67 -0.51 1.97 3.03 -1.26 -5.14 118.95 118.71 2aw4 s ARG 18 Ca 0.00 -1.20 -0.01 0.00 2.03 0.00 0.00 55.73 56.55 2aw4 s ARG 18 Cb 0.00 0.52 0.13 0.00 -1.03 0.00 0.00 34.95 34.57 2aw4 s ARG 18 CO 0.00 -0.73 0.30 -0.51 -1.13 0.00 0.00 175.30 173.23 2aw4 s LEU 19 N -3.00 5.05 0.00 -1.89 2.01 -1.26 -5.10 118.68 114.48 2aw4 s LEU 19 Ca 0.19 -2.55 0.00 0.00 0.01 0.00 0.00 54.13 51.78 2aw4 s LEU 19 Cb -0.03 -1.79 0.00 0.00 0.01 0.00 0.00 46.19 44.39 2aw4 s LEU 19 CO 0.09 -0.40 0.00 0.61 1.01 0.00 0.00 176.35 177.66 2aw4 n GLY 20 N 3.85 0.21 3.18 -3.19 0.00 -1.26 -4.94 105.19 103.04 2aw4 n GLY 20 Ca 0.04 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 2aw4 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aw4 s ARG 21 N 0.00 1.17 0.00 1.61 1.70 -1.26 -5.02 118.95 117.16 2aw4 s ARG 21 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 2aw4 s ARG 21 Cb 0.00 -1.21 0.00 0.00 -0.57 0.00 0.00 34.95 33.17 2aw4 s ARG 21 CO 0.00 0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.94 2aw4 n GLY 22 N 2.05 0.46 2.63 3.88 0.00 -1.26 -5.07 105.19 107.89 2aw4 n GLY 22 Ca -0.17 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 2aw4 n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aw4 n ILE 23 N 1.34 0.06 0.00 -0.61 5.41 -1.26 -5.06 119.36 119.24 2aw4 n ILE 23 Ca 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 62.75 61.62 2aw4 n ILE 23 Cb 0.00 1.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.94 2aw4 n ILE 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2aw4 n GLY 24 N 0.05 2.71 0.28 7.39 0.00 -1.26 -4.93 105.19 109.43 2aw4 n GLY 24 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2aw4 n GLY 24 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2aw4 h SER 25 N 0.00 0.60 0.00 1.61 0.87 -2.05 -3.44 113.55 111.15 2aw4 h SER 25 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2aw4 h SER 25 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2aw4 h SER 25 CO 0.00 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2aw4 n GLY 26 N -1.30 0.88 0.00 5.77 0.00 -1.26 -5.13 105.19 104.15 2aw4 n GLY 26 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2aw4 n GLY 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2aw4 n LEU 27 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.66 117.00 112.07 2aw4 n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2aw4 n LEU 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2aw4 n LEU 27 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2aw4 n GLY 28 N 5.00 2.66 0.00 1.47 0.00 -1.26 -4.52 105.19 108.54 2aw4 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aw4 n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aw4 n LYS 29 N -1.97 0.00 0.00 1.61 4.81 -1.26 -5.06 118.16 116.29 2aw4 n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2aw4 n LYS 29 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2aw4 n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2aw4 n THR 30 N 0.00 0.00 -1.41 3.15 -2.24 -1.26 -5.06 114.28 107.46 2aw4 n THR 30 Ca 0.00 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.28 2aw4 n THR 30 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2aw4 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aw4 n GLY 31 N -1.32 -1.34 0.00 3.38 0.00 -1.26 -4.24 105.19 100.42 2aw4 n GLY 31 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2aw4 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 32 N 1.85 0.54 3.23 -0.02 0.00 -1.26 -5.02 105.19 104.50 2aw4 n GLY 32 Ca 0.18 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2aw4 n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aw4 n ARG 33 N 0.00 -1.56 -0.01 1.61 -4.01 -1.26 -2.93 116.66 108.49 2aw4 n ARG 33 Ca 0.00 -0.44 0.00 0.00 -1.04 0.00 0.00 57.85 56.37 2aw4 n ARG 33 Cb 0.00 -1.61 0.00 0.00 -3.04 0.00 0.00 32.46 27.81 2aw4 n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2aw4 n GLY 34 N 2.21 0.00 3.00 2.89 0.00 -1.26 -4.35 105.19 107.68 2aw4 n GLY 34 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2aw4 n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2aw4 n HIS 35 N -1.51 -2.11 -0.59 1.61 1.44 -1.15 -4.89 115.22 108.03 2aw4 n HIS 35 Ca 0.00 0.89 -0.30 0.00 -2.01 0.00 0.00 57.72 56.30 2aw4 n HIS 35 Cb 0.00 -1.37 0.27 0.00 0.12 0.00 0.00 29.99 29.00 2aw4 n HIS 35 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2aw4 s LYS 36 N -1.93 -1.97 0.00 -1.40 1.02 -1.26 -4.97 119.74 109.23 2aw4 s LYS 36 Ca 0.31 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.58 2aw4 s LYS 36 Cb -0.03 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 2aw4 s LYS 36 CO 0.69 -4.28 0.00 0.41 -0.92 0.00 0.00 175.35 171.25 2aw4 n GLY 37 N 0.67 0.00 7.00 -3.33 0.00 -1.26 -4.97 105.19 103.31 2aw4 n GLY 37 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2aw4 n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2aw4 n GLN 38 N -1.78 0.00 -3.75 1.61 0.00 -1.26 -4.76 117.38 107.43 2aw4 n GLN 38 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 2aw4 n GLN 38 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 2aw4 n GLN 38 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2aw4 n LYS 39 N -0.44 -3.61 -0.89 3.69 2.85 -1.26 0.42 118.16 118.92 2aw4 n LYS 39 Ca 0.00 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 2aw4 n LYS 39 Cb 0.00 -5.19 0.00 0.00 -0.65 0.00 0.00 35.03 29.19 2aw4 n LYS 39 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2aw4 n SER 40 N -2.49 0.00 0.00 -5.58 7.64 -1.26 -3.59 113.62 108.34 2aw4 n SER 40 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2aw4 n SER 40 Cb 0.52 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2aw4 n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2aw4 n ARG 41 N -0.89 0.00 -0.03 1.43 3.00 0.17 -4.85 116.66 115.49 2aw4 n ARG 41 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2aw4 n ARG 41 Cb 0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 32.46 31.20 2aw4 n ARG 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2aw4 h SER 42 N 0.00 0.00 0.00 0.55 4.64 -1.84 -3.50 113.55 113.40 2aw4 h SER 42 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aw4 h SER 42 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2aw4 h SER 42 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 2aw4 n GLY 43 N 1.87 0.55 0.00 -0.77 0.00 -1.26 -5.12 105.19 100.46 2aw4 n GLY 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aw4 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 44 N 0.00 0.68 3.64 -0.02 0.00 -1.26 -5.02 105.19 103.21 2aw4 n GLY 44 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2aw4 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aw4 s GLY 45 N -0.87 1.83 -0.05 -0.02 0.00 -1.26 -4.93 107.32 102.02 2aw4 s GLY 45 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 44.45 2aw4 s GLY 45 CO 0.00 1.68 -0.17 -0.62 0.00 0.00 0.00 173.10 173.99 2aw4 n VAL 46 N 5.13 1.15 -2.75 1.40 0.31 -1.26 -4.70 118.33 117.61 2aw4 n VAL 46 Ca 0.04 0.26 -0.39 0.00 -0.01 0.00 0.00 64.34 64.24 2aw4 n VAL 46 Cb 0.48 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 2aw4 n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aw4 s ARG 47 N -2.27 4.71 0.41 5.55 1.04 -1.26 -4.74 118.95 122.40 2aw4 s ARG 47 Ca -0.14 1.42 -0.06 0.00 -1.04 0.00 0.00 55.73 55.91 2aw4 s ARG 47 Cb 0.02 -3.04 0.10 0.00 -2.04 0.00 0.00 34.95 29.99 2aw4 s ARG 47 CO 0.21 0.39 0.22 -2.13 -0.04 0.00 0.00 175.30 173.95 2aw4 n ARG 48 N 1.02 -2.00 -1.85 3.89 0.63 -1.26 -3.76 116.66 113.33 2aw4 n ARG 48 Ca -0.00 -0.38 -0.21 0.00 -0.92 0.00 0.00 57.85 56.35 2aw4 n ARG 48 Cb 0.48 -0.55 -0.06 0.00 0.45 0.00 0.00 32.46 32.78 2aw4 n ARG 48 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2aw4 n GLY 49 N -1.33 1.17 2.83 5.14 0.00 -1.26 -4.84 105.19 106.91 2aw4 n GLY 49 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2aw4 n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aw4 n PHE 50 N -2.88 3.36 -1.38 1.61 -0.00 -1.25 -4.86 117.46 112.06 2aw4 n PHE 50 Ca -0.22 -3.60 -0.37 0.00 -0.00 0.00 0.00 57.45 53.26 2aw4 n PHE 50 Cb 0.68 -0.98 -0.04 0.00 -0.00 0.00 0.00 39.48 39.14 2aw4 n PHE 50 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2aw4 n GLU 51 N 1.45 3.70 -1.52 -4.13 0.28 -1.26 -4.92 120.64 114.23 2aw4 n GLU 51 Ca 0.26 -2.29 -0.48 0.00 -0.16 0.00 0.00 57.16 54.49 2aw4 n GLU 51 Cb 0.37 -2.72 -0.03 0.00 1.43 0.00 0.00 31.44 30.49 2aw4 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2aw4 n GLY 52 N 3.24 -0.58 1.44 -1.84 0.00 -1.26 -3.10 105.19 103.08 2aw4 n GLY 52 Ca 0.74 0.44 0.00 0.00 0.00 0.00 0.00 46.02 47.20 2aw4 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 53 N 1.74 0.69 2.74 -0.02 0.00 -1.26 -4.92 105.19 104.16 2aw4 n GLY 53 Ca 0.15 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 2aw4 n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2aw4 n GLN 54 N -1.35 0.00 -0.32 1.61 1.13 -1.18 -4.79 117.38 112.48 2aw4 n GLN 54 Ca 0.00 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.20 2aw4 n GLN 54 Cb 0.48 -1.17 0.36 0.00 0.11 0.00 0.00 30.24 30.02 2aw4 n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aw4 h MET 55 N 2.39 0.69 0.00 -1.09 -0.00 -1.91 -3.36 114.93 111.64 2aw4 h MET 55 Ca -0.40 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2aw4 h MET 55 Cb 1.11 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 2aw4 h MET 55 CO 0.51 0.46 0.00 -2.30 -0.00 0.00 0.00 176.91 175.58 2aw4 n PRO 56 N -4.67 0.00 -0.86 -0.10 -0.02 -1.26 -3.91 135.00 124.18 2aw4 n PRO 56 Ca 0.21 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 2aw4 n PRO 56 Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.07 2aw4 n PRO 56 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2aw4 n LEU 57 N 0.00 -4.13 0.00 2.45 -0.00 -1.26 0.24 117.00 114.30 2aw4 n LEU 57 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 2aw4 n LEU 57 Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 2aw4 n LEU 57 CO 0.00 -4.45 0.00 -1.22 -0.00 0.00 0.00 177.39 171.72 2aw4 n TYR 58 N -1.70 0.00 0.00 1.47 0.53 -1.26 -3.88 117.16 112.31 2aw4 n TYR 58 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 2aw4 n TYR 58 Cb 0.42 -0.52 0.00 0.00 -1.03 0.00 0.00 39.34 38.21 2aw4 n TYR 58 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2aw4 n ARG 59 N -1.69 3.13 0.00 -0.72 5.12 0.39 -4.75 116.66 118.14 2aw4 n ARG 59 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2aw4 n ARG 59 Cb 0.00 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 2aw4 n ARG 59 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2aw4 n ARG 60 N -1.96 0.62 -2.95 5.56 3.00 0.66 -4.91 116.66 116.68 2aw4 n ARG 60 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 2aw4 n ARG 60 Cb 0.46 -1.19 -0.00 0.00 0.00 0.00 0.00 32.46 31.73 2aw4 n ARG 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2aw4 s LEU 61 N 0.00 3.74 0.03 6.15 2.01 -1.26 -4.82 118.68 124.53 2aw4 s LEU 61 Ca 0.00 0.63 0.00 0.00 0.01 0.00 0.00 54.13 54.77 2aw4 s LEU 61 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.67 2aw4 s LEU 61 CO 0.00 -0.53 0.00 -2.65 1.01 0.00 0.00 176.35 174.18 2aw4 n PRO 62 N -2.08 -0.71 -3.21 1.29 -0.01 -1.26 -5.01 135.00 124.00 2aw4 n PRO 62 Ca -0.01 0.50 -0.24 0.00 -0.01 0.00 0.00 63.50 63.75 2aw4 n PRO 62 Cb 0.56 -0.99 -0.07 0.00 -0.01 0.00 0.00 33.50 32.99 2aw4 n PRO 62 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 2aw4 n LYS 63 N 1.39 0.61 -0.91 -0.52 4.81 -1.26 -5.15 118.16 117.12 2aw4 n LYS 63 Ca 0.00 -3.15 -0.30 0.00 -0.87 0.00 0.00 58.31 53.99 2aw4 n LYS 63 Cb 0.00 -1.31 -0.01 0.00 0.02 0.00 0.00 35.03 33.73 2aw4 n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2aw4 n PHE 64 N 1.72 -1.26 -1.00 5.64 0.99 -1.26 -4.96 117.46 117.32 2aw4 n PHE 64 Ca 0.22 0.48 -0.29 0.00 -0.00 0.00 0.00 57.45 57.86 2aw4 n PHE 64 Cb 0.52 -1.25 0.25 0.00 -1.00 0.00 0.00 39.48 38.00 2aw4 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2aw4 n GLY 65 N 1.58 -2.82 0.00 1.37 0.00 -1.26 -5.06 105.19 99.00 2aw4 n GLY 65 Ca 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2aw4 n GLY 65 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2aw4 n PHE 66 N -4.84 0.00 0.00 1.61 -1.74 -1.26 -5.17 117.46 106.06 2aw4 n PHE 66 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 2aw4 n PHE 66 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 2aw4 n PHE 66 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 2aw4 n THR 67 N -0.39 0.00 0.00 1.97 5.66 -1.26 -5.18 114.28 115.07 2aw4 n THR 67 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2aw4 n THR 67 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2aw4 n THR 67 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2aw4 n SER 68 N -1.43 0.00 -4.62 1.09 7.64 -1.26 -5.09 113.62 109.95 2aw4 n SER 68 Ca 0.00 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.39 2aw4 n SER 68 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2aw4 n SER 68 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2aw4 n ARG 69 N 0.00 1.81 0.00 1.43 1.85 -1.26 -4.81 116.66 115.69 2aw4 n ARG 69 Ca 0.00 0.62 0.12 0.00 -1.00 0.00 0.00 57.85 57.59 2aw4 n ARG 69 Cb 0.00 -2.63 0.62 0.00 -1.05 0.00 0.00 32.46 29.40 2aw4 n ARG 69 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2aw4 n LYS 70 N 7.18 0.35 -1.74 2.89 -0.00 -1.26 -4.71 118.16 120.88 2aw4 n LYS 70 Ca 0.28 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 58.22 2aw4 n LYS 70 Cb 0.28 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.80 2aw4 n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aw4 n ALA 71 N -1.28 2.19 -0.14 0.58 0.00 -1.26 -4.80 120.51 115.80 2aw4 n ALA 71 Ca 0.12 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.88 2aw4 n ALA 71 Cb 0.19 -2.41 0.02 0.00 0.00 0.00 0.00 19.45 17.25 2aw4 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ALA 72 N 4.02 0.11 0.00 0.00 0.00 -1.95 -3.42 119.26 118.02 2aw4 h ALA 72 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2aw4 h ALA 72 Cb 1.24 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2aw4 h ALA 72 CO 0.73 -0.56 0.00 1.51 0.00 0.00 0.00 179.25 180.93 2aw4 n ILE 73 N -5.39 0.00 -3.66 0.00 3.06 -1.26 -5.02 119.36 107.09 2aw4 n ILE 73 Ca 0.03 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 60.02 2aw4 n ILE 73 Cb 0.30 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.50 2aw4 n ILE 73 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2aw4 n THR 74 N 0.00 -5.47 -1.50 9.51 -1.04 -1.26 -4.77 114.28 109.75 2aw4 n THR 74 Ca 0.00 -0.51 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 2aw4 n THR 74 Cb 0.00 -4.12 0.04 0.00 -1.82 0.00 0.00 70.33 64.43 2aw4 n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2aw4 n ALA 75 N -3.40 -0.88 -1.57 2.41 0.00 -1.26 -4.87 120.51 110.95 2aw4 n ALA 75 Ca -0.15 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 2aw4 n ALA 75 Cb 0.60 -1.89 0.07 0.00 0.00 0.00 0.00 19.45 18.23 2aw4 n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2aw4 s GLU 76 N -2.24 2.55 0.00 0.00 2.02 -1.26 -4.50 118.70 115.27 2aw4 s GLU 76 Ca 0.70 0.80 0.00 0.00 0.02 0.00 0.00 54.97 56.49 2aw4 s GLU 76 Cb -0.44 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 31.84 2aw4 s GLU 76 CO 0.53 -1.33 0.00 -0.89 0.02 0.00 0.00 175.26 173.58 2aw4 n ILE 77 N -3.26 0.00 -1.46 -1.63 5.41 -1.20 -4.91 119.36 112.31 2aw4 n ILE 77 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2aw4 n ILE 77 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 2aw4 n ILE 77 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2aw4 n ARG 78 N 0.00 0.00 -0.47 0.38 -4.01 -1.26 -4.93 116.66 106.37 2aw4 n ARG 78 Ca 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.72 2aw4 n ARG 78 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 2aw4 n ARG 78 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2aw4 n LEU 79 N 0.00 2.74 -3.77 2.89 4.32 -1.26 -4.21 117.00 117.71 2aw4 n LEU 79 Ca 0.00 -1.91 -0.29 0.00 -0.02 0.00 0.00 56.01 53.79 2aw4 n LEU 79 Cb 0.00 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 2aw4 n LEU 79 CO 0.00 0.35 0.02 -0.24 -1.22 0.00 0.00 177.39 176.30 2aw4 n SER 80 N 3.33 -4.09 0.03 -1.43 2.88 -1.26 -1.78 113.62 111.30 2aw4 n SER 80 Ca 0.23 -0.68 -0.16 0.00 -1.33 0.00 0.00 58.87 56.93 2aw4 n SER 80 Cb 0.29 -3.32 -0.14 0.00 -0.75 0.00 0.00 64.21 60.29 2aw4 n SER 80 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2aw4 h ASP 81 N -1.50 0.31 0.00 -3.46 5.19 -1.79 -3.14 116.42 112.03 2aw4 h ASP 81 Ca -0.53 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 55.38 2aw4 h ASP 81 Cb 1.35 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2aw4 h ASP 81 CO 0.65 1.44 0.00 0.18 -3.12 0.00 0.00 179.24 178.38 2aw4 n LEU 82 N -3.38 0.00 0.00 1.55 7.99 -1.26 -4.52 117.00 117.38 2aw4 n LEU 82 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 2aw4 n LEU 82 Cb 1.04 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.35 2aw4 n LEU 82 CO 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.36 2aw4 n ALA 83 N 0.00 -0.46 -1.71 -1.18 0.00 -1.26 -4.53 120.51 111.37 2aw4 n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2aw4 n ALA 83 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2aw4 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aw4 n LYS 84 N 0.40 0.00 0.00 0.00 4.76 -1.26 -4.65 118.16 117.41 2aw4 n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2aw4 n LYS 84 Cb 0.00 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 2aw4 n LYS 84 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2aw4 n VAL 85 N -1.55 0.00 -1.01 -0.18 3.14 -1.26 -4.88 118.33 112.59 2aw4 n VAL 85 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 2aw4 n VAL 85 Cb 0.36 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.25 2aw4 n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2aw4 n GLU 86 N 0.00 1.38 -0.79 1.45 1.02 -1.26 -3.96 120.64 118.48 2aw4 n GLU 86 Ca 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 2aw4 n GLU 86 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2aw4 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aw4 n GLY 87 N -1.19 1.02 3.18 0.62 0.00 -1.26 -3.98 105.19 103.58 2aw4 n GLY 87 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2aw4 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 88 N -2.00 -0.49 0.00 -0.02 0.00 -1.26 -4.69 105.19 96.73 2aw4 n GLY 88 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2aw4 n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2aw4 n VAL 89 N -3.75 0.04 -1.50 1.61 3.14 -1.26 -4.94 118.33 111.67 2aw4 n VAL 89 Ca -0.03 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 2aw4 n VAL 89 Cb 0.55 1.28 0.00 0.00 -1.06 0.00 0.00 33.84 34.60 2aw4 n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2aw4 n VAL 90 N -0.02 -0.39 0.08 1.55 0.31 -1.26 -4.85 118.33 113.75 2aw4 n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2aw4 n VAL 90 Cb 0.09 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2aw4 n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2aw4 n ASP 91 N 1.82 -1.37 -0.38 4.52 -0.08 -1.25 -4.41 116.55 115.40 2aw4 n ASP 91 Ca 0.00 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 2aw4 n ASP 91 Cb 0.00 1.53 0.00 0.00 2.34 0.00 0.00 41.12 44.99 2aw4 n ASP 91 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2aw4 n LEU 92 N -2.83 -1.26 0.09 -2.67 0.00 -1.26 -0.74 117.00 108.33 2aw4 n LEU 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2aw4 n LEU 92 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 43.42 42.79 2aw4 n LEU 92 CO 0.00 0.00 -0.01 0.59 0.00 0.00 0.00 177.39 177.97 2aw4 n ASN 93 N 0.00 -0.09 0.00 1.96 4.13 -1.26 -4.73 115.26 115.27 2aw4 n ASN 93 Ca 0.00 0.31 0.00 0.00 1.68 0.00 0.00 54.58 56.57 2aw4 n ASN 93 Cb 0.00 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2aw4 n ASN 93 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2aw4 n THR 94 N -3.12 0.00 -0.49 3.41 5.66 -1.26 -4.80 114.28 113.68 2aw4 n THR 94 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 2aw4 n THR 94 Cb 0.01 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.71 2aw4 n THR 94 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2aw4 n LEU 95 N -1.79 1.42 -4.37 1.09 4.32 -1.26 -4.52 117.00 111.89 2aw4 n LEU 95 Ca 0.00 -1.66 -0.26 0.00 -0.02 0.00 0.00 56.01 54.07 2aw4 n LEU 95 Cb 0.00 -0.62 -0.12 0.00 -1.62 0.00 0.00 43.42 41.06 2aw4 n LEU 95 CO 0.00 -1.44 -0.54 -0.54 -1.22 0.00 0.00 177.39 173.65 2aw4 s LYS 96 N 6.04 1.37 -0.09 3.23 3.01 -1.26 -4.84 119.74 127.21 2aw4 s LYS 96 Ca 0.49 -1.38 -0.09 0.00 -1.01 0.00 0.00 55.97 53.99 2aw4 s LYS 96 Cb 0.11 -1.72 -0.03 0.00 -1.01 0.00 0.00 37.83 35.18 2aw4 s LYS 96 CO 0.21 0.39 -0.17 0.00 0.51 0.00 0.00 175.35 176.29 2aw4 n ALA 97 N 0.66 0.52 -0.04 5.17 0.00 -1.25 -4.59 120.51 120.98 2aw4 n ALA 97 Ca -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 2aw4 n ALA 97 Cb 0.55 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2aw4 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ALA 98 N -1.45 0.23 -3.24 0.00 0.00 -1.95 -3.40 119.26 109.44 2aw4 h ALA 98 Ca 0.00 -0.04 -0.46 0.00 0.00 0.00 0.00 54.91 54.42 2aw4 h ALA 98 Cb 0.49 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 17.83 2aw4 h ALA 98 CO 0.00 -0.26 -0.78 -0.80 0.00 0.00 0.00 179.25 177.41 2aw4 s ASN 99 N -5.41 1.70 0.04 0.00 0.01 -1.26 -5.14 114.94 104.89 2aw4 s ASN 99 Ca -0.13 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 51.92 2aw4 s ASN 99 Cb 0.08 -0.53 -0.02 0.00 0.41 0.00 0.00 41.25 41.18 2aw4 s ASN 99 CO 0.69 -0.17 -0.10 -0.51 -1.51 0.00 0.00 177.10 175.49 2aw4 s ILE 100 N 1.88 0.80 0.01 0.60 2.07 -1.26 -4.77 121.20 120.52 2aw4 s ILE 100 Ca 0.04 -1.01 0.14 0.00 -1.41 0.00 0.00 60.65 58.41 2aw4 s ILE 100 Cb -0.12 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.71 2aw4 s ILE 100 CO -0.06 -0.20 1.50 -0.29 -1.91 0.00 0.00 174.94 173.99 2aw4 h ILE 101 N 4.51 1.07 -1.91 2.00 6.09 -1.88 -3.50 117.51 123.90 2aw4 h ILE 101 Ca -0.37 -2.27 0.00 0.00 -1.37 0.00 0.00 64.86 60.85 2aw4 h ILE 101 Cb 1.19 2.36 0.00 0.00 0.47 0.00 0.00 36.82 40.84 2aw4 h ILE 101 CO 0.42 0.56 -0.05 0.61 -3.07 0.00 0.00 178.15 176.63 2aw4 n GLY 102 N 0.93 -3.14 3.64 8.18 0.00 -1.26 -4.88 105.19 108.66 2aw4 n GLY 102 Ca 0.01 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2aw4 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aw4 s ILE 103 N -0.03 5.33 0.00 -0.61 -1.09 -1.26 -4.40 121.20 119.13 2aw4 s ILE 103 Ca 0.00 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2aw4 s ILE 103 Cb 0.00 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2aw4 s ILE 103 CO 0.00 0.32 0.00 0.00 -1.23 0.00 0.00 174.94 174.03 2aw4 n GLN 104 N 4.53 0.00 -4.38 2.79 10.64 -1.26 -5.17 117.38 124.53 2aw4 n GLN 104 Ca -0.15 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.72 2aw4 n GLN 104 Cb 0.52 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.79 2aw4 n GLN 104 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 2aw4 s ILE 105 N 0.00 3.27 0.07 -0.39 -0.00 -1.26 -5.00 121.20 117.89 2aw4 s ILE 105 Ca 0.00 -1.16 -0.22 0.00 -0.00 0.00 0.00 60.65 59.27 2aw4 s ILE 105 Cb 0.00 -2.47 -0.09 0.00 -0.00 0.00 0.00 42.46 39.90 2aw4 s ILE 105 CO 0.00 0.22 1.36 1.05 -0.00 0.00 0.00 174.94 177.57 2aw4 h GLU 106 N 4.03 -0.39 -4.13 0.37 9.09 -2.01 -3.47 114.58 118.06 2aw4 h GLU 106 Ca -0.49 0.03 -0.23 0.00 0.05 0.00 0.00 59.36 58.72 2aw4 h GLU 106 Cb 1.16 0.09 -0.10 0.00 -1.65 0.00 0.00 28.75 28.26 2aw4 h GLU 106 CO 0.51 -0.26 -0.26 -0.06 0.05 0.00 0.00 179.01 178.99 2aw4 s PHE 107 N -4.76 0.95 0.00 2.06 0.40 -1.26 -5.16 117.98 110.21 2aw4 s PHE 107 Ca -0.10 -1.19 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 2aw4 s PHE 107 Cb 0.04 -0.13 0.00 0.00 0.51 0.00 0.00 43.02 43.44 2aw4 s PHE 107 CO 0.40 -1.00 0.00 0.00 0.70 0.00 0.00 175.22 175.31 2aw4 n ALA 108 N -0.47 1.38 -1.37 5.36 0.00 -1.26 -4.40 120.51 119.75 2aw4 n ALA 108 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2aw4 n ALA 108 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2aw4 n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2aw4 n LYS 109 N -0.38 -1.84 -4.25 0.00 4.81 -1.26 -4.44 118.16 110.79 2aw4 n LYS 109 Ca 0.00 1.65 -0.32 0.00 -0.87 0.00 0.00 58.31 58.77 2aw4 n LYS 109 Cb 0.00 -1.85 -0.09 0.00 0.02 0.00 0.00 35.03 33.11 2aw4 n LYS 109 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2aw4 s VAL 110 N -0.20 4.12 0.00 3.15 1.01 -1.26 -3.22 120.40 123.99 2aw4 s VAL 110 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2aw4 s VAL 110 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2aw4 s VAL 110 CO 0.00 0.32 0.00 2.30 0.00 0.00 0.00 175.10 177.72 2aw4 n ILE 111 N 1.21 0.00 -4.33 2.22 -0.00 -1.26 -4.35 119.36 112.84 2aw4 n ILE 111 Ca -0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.38 2aw4 n ILE 111 Cb 0.52 -1.52 -0.12 0.00 -0.00 0.00 0.00 39.64 38.52 2aw4 n ILE 111 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 2aw4 s LEU 112 N 0.00 2.38 0.00 7.28 2.34 -1.26 -4.54 118.68 124.87 2aw4 s LEU 112 Ca 0.00 -0.79 0.00 0.00 0.06 0.00 0.00 54.13 53.40 2aw4 s LEU 112 Cb 0.00 -0.92 0.00 0.00 -0.56 0.00 0.00 46.19 44.71 2aw4 s LEU 112 CO 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 176.35 175.32 2aw4 n ALA 113 N 0.63 0.22 -1.00 1.48 0.00 -1.26 -4.75 120.51 115.83 2aw4 n ALA 113 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2aw4 n ALA 113 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2aw4 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 114 N 0.00 -1.49 3.69 0.00 0.00 -0.73 -4.83 105.19 101.83 2aw4 n GLY 114 Ca 0.00 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2aw4 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aw4 s GLU 115 N 0.00 4.39 0.05 1.61 2.56 -1.25 -4.70 118.70 121.35 2aw4 s GLU 115 Ca 0.00 1.60 -0.01 0.00 0.00 0.00 0.00 54.97 56.56 2aw4 s GLU 115 Cb 0.00 -3.53 0.01 0.00 2.00 0.00 0.00 34.13 32.61 2aw4 s GLU 115 CO 0.00 -0.37 0.06 0.28 -0.56 0.00 0.00 175.26 174.67 2aw4 n VAL 116 N 4.48 0.00 0.00 3.70 0.31 -1.19 -4.27 118.33 121.37 2aw4 n VAL 116 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2aw4 n VAL 116 Cb 0.47 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2aw4 n VAL 116 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2aw4 n THR 117 N -1.93 0.00 -0.15 2.52 -2.24 -1.26 -4.98 114.28 106.23 2aw4 n THR 117 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2aw4 n THR 117 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2aw4 n THR 117 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2aw4 n THR 118 N -0.07 0.00 -3.64 4.28 5.66 -1.26 -5.09 114.28 114.16 2aw4 n THR 118 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2aw4 n THR 118 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 2aw4 n THR 118 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 2aw4 s PRO 119 N 0.00 0.79 0.00 1.09 0.02 -1.26 -4.94 135.00 130.70 2aw4 s PRO 119 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.74 2aw4 s PRO 119 Cb 0.00 0.38 0.00 0.00 0.02 0.00 0.00 34.50 34.90 2aw4 s PRO 119 CO 0.00 -0.13 0.00 1.55 -0.33 0.00 0.00 177.00 178.09 2aw4 n VAL 120 N 2.35 0.00 -1.98 3.83 3.14 -1.26 -4.68 118.33 119.73 2aw4 n VAL 120 Ca -0.15 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.81 2aw4 n VAL 120 Cb 0.56 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.34 2aw4 n VAL 120 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2aw4 n THR 121 N 0.00 4.08 -1.68 1.55 -1.04 -1.26 -2.37 114.28 113.57 2aw4 n THR 121 Ca 0.00 -3.69 -0.44 0.00 -2.04 0.00 0.00 64.05 57.88 2aw4 n THR 121 Cb 0.00 -2.45 -0.03 0.00 -1.82 0.00 0.00 70.33 66.02 2aw4 n THR 121 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2aw4 n VAL 122 N 3.89 0.50 -1.18 12.58 0.24 0.70 -3.85 118.33 131.22 2aw4 n VAL 122 Ca 0.50 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 2aw4 n VAL 122 Cb 0.35 -2.09 0.00 0.00 -1.47 0.00 0.00 33.84 30.63 2aw4 n VAL 122 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aw4 n ARG 123 N 6.24 1.76 0.00 7.34 1.74 -1.26 -3.66 116.66 128.83 2aw4 n ARG 123 Ca 0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2aw4 n ARG 123 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 2aw4 n ARG 123 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aw4 n GLY 124 N 2.45 1.16 7.00 -0.13 0.00 0.08 -4.78 105.19 110.97 2aw4 n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aw4 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aw4 n LEU 125 N 0.00 0.00 -0.16 0.99 4.77 -1.10 -4.20 117.00 117.30 2aw4 n LEU 125 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2aw4 n LEU 125 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2aw4 n LEU 125 CO 0.00 0.00 -0.02 -2.11 -1.33 0.00 0.00 177.39 173.93 2aw4 n ARG 126 N 0.00 -0.20 0.00 3.23 -4.01 -1.26 -4.49 116.66 109.92 2aw4 n ARG 126 Ca 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 57.85 56.95 2aw4 n ARG 126 Cb 0.00 -0.31 0.00 0.00 -3.04 0.00 0.00 32.46 29.11 2aw4 n ARG 126 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 2aw4 n VAL 127 N -0.94 0.00 0.00 8.89 0.24 -1.26 -4.92 118.33 120.33 2aw4 n VAL 127 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2aw4 n VAL 127 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2aw4 n VAL 127 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2aw4 n THR 128 N 0.00 0.00 0.19 3.34 -2.24 -1.26 -4.12 114.28 110.19 2aw4 n THR 128 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2aw4 n THR 128 Cb 0.00 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.61 2aw4 n THR 128 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2aw4 h LYS 129 N 0.00 0.02 -0.87 -0.78 3.64 -1.98 0.65 116.57 117.25 2aw4 h LYS 129 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2aw4 h LYS 129 Cb 0.00 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2aw4 h LYS 129 CO 0.00 0.34 0.57 0.78 -2.27 0.00 0.00 179.45 178.87 2aw4 h GLY 130 N 0.99 1.24 0.00 5.01 0.00 -1.93 -2.13 103.07 106.24 2aw4 h GLY 130 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2aw4 h GLY 130 CO 0.04 0.36 -0.00 0.00 0.00 0.00 0.00 176.54 176.94 2aw4 h ALA 131 N 1.50 -0.01 -1.37 3.60 0.00 -0.72 -3.05 119.26 119.20 2aw4 h ALA 131 Ca 0.35 -0.00 0.40 0.00 0.00 0.00 0.00 54.91 55.66 2aw4 h ALA 131 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2aw4 h ALA 131 CO -0.11 -0.01 0.94 -0.09 0.00 0.00 0.00 179.25 179.99 2aw4 h ARG 132 N -0.27 0.09 -0.15 0.00 2.43 0.05 -1.12 114.38 115.41 2aw4 h ARG 132 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2aw4 h ARG 132 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2aw4 h ARG 132 CO 0.00 0.06 0.00 0.00 -1.51 0.00 0.00 179.97 178.52 2aw4 n ALA 133 N -2.68 2.43 0.00 2.80 0.00 -0.80 -3.86 120.51 118.39 2aw4 n ALA 133 Ca 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2aw4 n ALA 133 Cb 1.40 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2aw4 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 n ALA 134 N 1.13 2.00 0.63 0.00 0.00 -0.55 -4.59 120.51 119.13 2aw4 n ALA 134 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2aw4 n ALA 134 Cb 0.50 0.44 0.41 0.00 0.00 0.00 0.00 19.45 20.80 2aw4 n ALA 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2aw4 n ILE 135 N -2.38 0.59 0.00 0.00 5.41 -0.54 -4.15 119.36 118.30 2aw4 n ILE 135 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2aw4 n ILE 135 Cb 0.50 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 2aw4 n ILE 135 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2aw4 n GLU 136 N -2.25 0.00 0.00 0.38 0.28 -1.25 -1.98 120.64 115.82 2aw4 n GLU 136 Ca 0.06 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.15 2aw4 n GLU 136 Cb 0.43 -1.31 0.43 0.00 1.43 0.00 0.00 31.44 32.41 2aw4 n GLU 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aw4 n ALA 137 N -0.79 1.91 -3.50 -1.84 0.00 -1.26 -4.84 120.51 110.19 2aw4 n ALA 137 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 2aw4 n ALA 137 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 2aw4 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 s ALA 138 N -2.90 -1.78 -0.45 0.00 0.00 -0.84 -4.88 121.76 110.92 2aw4 s ALA 138 Ca 0.11 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 53.02 2aw4 s ALA 138 Cb 0.13 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2aw4 s ALA 138 CO 0.34 -0.59 0.40 0.41 0.00 0.00 0.00 175.76 176.32 2aw4 n GLY 139 N 0.10 -0.49 0.00 0.00 0.00 -1.00 -4.53 105.19 99.27 2aw4 n GLY 139 Ca -0.13 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2aw4 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 140 N -0.83 -1.22 1.10 -0.02 0.00 -1.26 -0.21 105.19 102.75 2aw4 n GLY 140 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2aw4 n GLY 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aw4 n LYS 141 N -0.27 -0.65 0.00 1.61 3.00 -1.24 -4.05 118.16 116.56 2aw4 n LYS 141 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 2aw4 n LYS 141 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.01 2aw4 n LYS 141 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2aw4 n ILE 142 N -1.67 0.00 -2.08 3.15 -5.35 -1.26 -4.33 119.36 107.82 2aw4 n ILE 142 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.49 2aw4 n ILE 142 Cb 0.04 -0.20 -0.00 0.00 -1.74 0.00 0.00 39.64 37.74 2aw4 n ILE 142 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2aw4 n GLU 143 N -2.32 -0.18 0.00 6.28 0.00 -1.26 -2.70 120.64 120.46 2aw4 n GLU 143 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.28 2aw4 n GLU 143 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 31.44 31.22 2aw4 n GLU 143 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28