#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -3.87 117.00 122.79 2qam n LEU 3 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2qam n LEU 3 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2qam n LEU 3 CO 0.00 -1.62 0.00 0.59 -1.33 0.00 0.00 177.39 175.03 2qam n ASN 4 N -3.33 0.00 -0.22 -1.43 5.03 -1.26 -4.26 115.26 109.78 2qam n ASN 4 Ca 0.02 0.00 0.20 0.00 0.87 0.00 0.00 54.58 55.67 2qam n ASN 4 Cb 0.07 0.00 0.36 0.00 -1.02 0.00 0.00 39.78 39.19 2qam n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qam n THR 5 N 0.00 -0.19 -2.97 3.41 -2.24 -1.25 -4.35 114.28 106.70 2qam n THR 5 Ca 0.00 1.08 -0.40 0.00 -2.27 0.00 0.00 64.05 62.46 2qam n THR 5 Cb 0.00 -1.76 -0.05 0.00 -2.10 0.00 0.00 70.33 66.42 2qam n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qam s LEU 6 N -8.07 4.41 0.28 3.22 2.34 -1.26 -5.07 118.68 114.54 2qam s LEU 6 Ca -0.05 1.42 0.06 0.00 0.06 0.00 0.00 54.13 55.62 2qam s LEU 6 Cb 0.18 -3.24 -0.06 0.00 -0.56 0.00 0.00 46.19 42.52 2qam s LEU 6 CO 0.45 -0.04 -0.02 -0.44 -1.06 0.00 0.00 176.35 175.23 2qam s SER 7 N 0.24 2.57 0.98 1.48 0.01 -1.26 -5.09 113.70 112.63 2qam s SER 7 Ca 0.40 -1.24 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 2qam s SER 7 Cb -0.20 -0.13 0.18 0.00 0.21 0.00 0.00 66.02 66.08 2qam s SER 7 CO 0.22 -0.42 1.09 -2.84 0.41 0.00 0.00 173.24 171.70 2qam s PRO 8 N -3.78 0.52 0.34 12.44 0.02 -1.26 -5.02 135.00 138.27 2qam s PRO 8 Ca 0.31 1.12 -0.06 0.00 0.02 0.00 0.00 61.00 62.39 2qam s PRO 8 Cb 0.05 -1.70 0.09 0.00 0.02 0.00 0.00 34.50 32.96 2qam s PRO 8 CO 0.12 -2.83 0.25 0.00 -0.33 0.00 0.00 177.00 174.21 2qam n ALA 9 N -4.33 -1.10 -3.12 -1.55 0.00 -1.26 -4.88 120.51 104.28 2qam n ALA 9 Ca 0.08 -0.40 -0.44 0.00 0.00 0.00 0.00 53.44 52.67 2qam n ALA 9 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2qam n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qam n GLU 10 N -2.66 3.57 0.00 0.00 4.07 -1.26 -3.88 120.64 120.48 2qam n GLU 10 Ca 0.04 -4.20 0.00 0.00 -0.06 0.00 0.00 57.16 52.93 2qam n GLU 10 Cb 0.15 -2.74 0.00 0.00 -0.06 0.00 0.00 31.44 28.79 2qam n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qam n GLY 11 N 3.05 0.19 0.26 8.31 0.00 -1.26 -4.99 105.19 110.75 2qam n GLY 11 Ca 0.30 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.45 2qam n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qam h SER 12 N 0.00 0.00 -3.04 1.61 0.02 -1.92 -3.41 113.55 106.80 2qam h SER 12 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2qam h SER 12 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2qam h SER 12 CO 0.00 0.00 -0.59 -0.54 -1.14 0.00 0.00 176.83 174.56 2qam s LYS 13 N -3.80 1.72 0.00 3.45 -0.14 -1.26 -5.01 119.74 114.69 2qam s LYS 13 Ca -0.03 -1.97 0.01 0.00 -1.36 0.00 0.00 55.97 52.62 2qam s LYS 13 Cb 0.08 -0.91 0.02 0.00 -1.68 0.00 0.00 37.83 35.34 2qam s LYS 13 CO 0.24 -0.22 0.71 1.63 -0.76 0.00 0.00 175.35 176.95 2qam n LYS 14 N -0.75 0.00 0.00 1.68 4.76 -1.26 -5.08 118.16 117.51 2qam n LYS 14 Ca -0.03 -0.45 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 2qam n LYS 14 Cb 0.66 0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 2qam n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qam n ALA 15 N 0.02 0.00 0.00 7.82 0.00 -1.26 -4.79 120.51 122.30 2qam n ALA 15 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qam n ALA 15 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2qam n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qam n GLY 16 N 0.00 3.46 2.49 0.00 0.00 -1.26 -5.10 105.19 104.78 2qam n GLY 16 Ca 0.00 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 2qam n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qam n LYS 17 N -1.25 -3.62 0.07 1.61 2.85 -1.26 -5.00 118.16 111.55 2qam n LYS 17 Ca 0.00 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.23 2qam n LYS 17 Cb 0.00 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 2qam n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qam n ARG 18 N -4.22 0.00 -1.32 -1.58 1.74 -1.26 -5.17 116.66 104.85 2qam n ARG 18 Ca 0.10 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 2qam n ARG 18 Cb 0.43 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.85 2qam n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qam n LEU 19 N -2.79 -1.32 -3.90 0.55 4.32 -1.26 -4.84 117.00 107.77 2qam n LEU 19 Ca 0.00 2.36 -0.34 0.00 -0.02 0.00 0.00 56.01 58.01 2qam n LEU 19 Cb 0.00 -2.54 0.01 0.00 -1.62 0.00 0.00 43.42 39.27 2qam n LEU 19 CO 0.00 -0.92 -0.17 0.61 -1.22 0.00 0.00 177.39 175.69 2qam n GLY 20 N -2.76 -0.70 1.93 -0.72 0.00 -0.22 -4.90 105.19 97.82 2qam n GLY 20 Ca -0.02 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.36 2qam n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam n ARG 21 N -4.49 0.60 0.00 1.61 5.12 -1.26 -4.99 116.66 113.25 2qam n ARG 21 Ca -0.17 -2.52 0.00 0.00 -1.93 0.00 0.00 57.85 53.23 2qam n ARG 21 Cb 0.62 -0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 2qam n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qam n GLY 22 N 0.12 0.83 0.35 -0.13 0.00 -1.26 -4.37 105.19 100.73 2qam n GLY 22 Ca 0.07 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.64 2qam n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qam h ILE 23 N 0.00 0.60 -0.31 -0.61 5.03 -1.96 -2.34 117.51 117.92 2qam h ILE 23 Ca 0.00 -0.22 0.07 0.00 -0.12 0.00 0.00 64.86 64.59 2qam h ILE 23 Cb 0.00 -0.11 -0.08 0.00 -3.03 0.00 0.00 36.82 33.60 2qam h ILE 23 CO 0.00 0.12 -0.28 1.23 -0.68 0.00 0.00 178.15 178.54 2qam h GLY 24 N 0.65 -0.20 -0.72 5.37 0.00 -2.00 -1.23 103.07 104.94 2qam h GLY 24 Ca 0.62 0.35 0.36 0.00 0.00 0.00 0.00 47.33 48.67 2qam h GLY 24 CO -0.44 -0.21 1.01 1.48 0.00 0.00 0.00 176.54 178.38 2qam h SER 25 N -0.26 0.00 0.00 0.19 4.64 -1.62 -3.44 113.55 113.07 2qam h SER 25 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2qam h SER 25 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2qam h SER 25 CO -0.45 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.12 2qam n GLY 26 N -1.76 1.08 2.52 -0.77 0.00 -0.46 -4.90 105.19 100.89 2qam n GLY 26 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 2qam n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qam n LEU 27 N 0.00 2.43 0.00 0.99 4.32 -1.26 -4.95 117.00 118.53 2qam n LEU 27 Ca 0.00 -4.98 0.00 0.00 -0.02 0.00 0.00 56.01 51.01 2qam n LEU 27 Cb 0.00 0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2qam n LEU 27 CO 0.00 2.16 0.00 0.61 -1.22 0.00 0.00 177.39 178.94 2qam n GLY 28 N -0.02 -2.46 3.20 -0.72 0.00 -1.25 -1.06 105.19 102.87 2qam n GLY 28 Ca 0.25 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2qam n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qam n LYS 29 N 0.00 -2.03 -0.72 1.61 2.85 -1.26 -2.06 118.16 116.55 2qam n LYS 29 Ca 0.00 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 56.67 2qam n LYS 29 Cb 0.00 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 2qam n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qam n THR 30 N -4.53 0.00 -3.19 0.58 -2.24 -1.26 -3.70 114.28 99.94 2qam n THR 30 Ca 0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 2qam n THR 30 Cb 0.55 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 2qam n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qam n GLY 31 N 0.12 -0.09 3.84 3.38 0.00 -0.88 0.96 105.19 112.52 2qam n GLY 31 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2qam n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 32 N -1.42 -0.50 0.57 -0.02 0.00 -1.24 -4.88 105.19 97.70 2qam n GLY 32 Ca -0.09 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2qam n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qam n ARG 33 N -4.74 0.53 -0.22 1.61 1.85 0.27 -5.14 116.66 110.81 2qam n ARG 33 Ca 0.02 -1.87 0.03 0.00 -1.00 0.00 0.00 57.85 55.04 2qam n ARG 33 Cb 0.54 -0.81 -0.01 0.00 -1.05 0.00 0.00 32.46 31.13 2qam n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qam n GLY 34 N -0.43 -1.96 3.49 2.89 0.00 -1.26 -4.63 105.19 103.29 2qam n GLY 34 Ca 0.08 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 2qam n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qam s HIS 35 N -0.70 3.11 0.12 1.61 3.76 -1.26 -4.83 115.29 117.09 2qam s HIS 35 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2qam s HIS 35 Cb 0.00 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.52 2qam s HIS 35 CO 0.00 -0.23 0.00 1.63 -0.85 0.00 0.00 174.74 175.29 2qam n LYS 36 N 4.50 -1.04 0.00 1.40 5.02 -1.26 -5.04 118.16 121.73 2qam n LYS 36 Ca -0.16 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2qam n LYS 36 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2qam n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qam n GLY 37 N -1.60 1.48 0.20 0.72 0.00 -1.26 -4.55 105.19 100.18 2qam n GLY 37 Ca 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 2qam n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qam h GLN 38 N 0.00 0.25 -0.04 1.61 4.15 -1.98 -2.84 115.11 116.27 2qam h GLN 38 Ca 0.00 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.32 2qam h GLN 38 Cb 0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 2qam h GLN 38 CO 0.00 0.60 0.31 0.87 -1.93 0.00 0.00 178.83 178.68 2qam h LYS 39 N 0.22 0.00 0.00 1.69 1.79 -1.85 -3.06 116.57 115.35 2qam h LYS 39 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2qam h LYS 39 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2qam h LYS 39 CO 0.06 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.30 2qam n SER 40 N -2.99 0.10 -1.05 0.86 3.41 -1.07 -4.63 113.62 108.25 2qam n SER 40 Ca -0.01 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2qam n SER 40 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2qam n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qam n ARG 41 N -0.76 -2.87 -1.63 4.33 1.74 -1.26 -3.70 116.66 112.50 2qam n ARG 41 Ca 0.00 2.19 -0.39 0.00 -0.77 0.00 0.00 57.85 58.87 2qam n ARG 41 Cb 0.00 -2.62 0.03 0.00 -1.02 0.00 0.00 32.46 28.85 2qam n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qam n SER 42 N -1.72 1.31 0.00 0.55 3.41 -1.26 0.10 113.62 116.01 2qam n SER 42 Ca 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2qam n SER 42 Cb 0.19 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 2qam n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qam n GLY 43 N 1.15 1.01 3.68 5.00 0.00 -1.26 -4.89 105.19 109.87 2qam n GLY 43 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 2qam n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 44 N -1.94 1.55 0.00 -0.02 0.00 0.12 -4.86 105.19 100.04 2qam n GLY 44 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2qam n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 45 N 4.30 4.02 3.91 -0.02 0.00 -1.16 -4.67 105.19 111.58 2qam n GLY 45 Ca 0.21 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 2qam n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qam s VAL 46 N -1.91 4.94 1.26 1.61 -7.23 -1.26 -5.03 120.40 112.78 2qam s VAL 46 Ca 0.00 0.10 -0.19 0.00 -1.81 0.00 0.00 61.98 60.08 2qam s VAL 46 Cb 0.00 -3.86 0.31 0.00 0.56 0.00 0.00 36.38 33.39 2qam s VAL 46 CO 0.00 -0.79 1.04 0.00 -0.31 0.00 0.00 175.10 175.04 2qam s ARG 47 N -4.63 -1.66 0.28 4.82 1.70 -1.26 -4.96 118.95 113.23 2qam s ARG 47 Ca 0.46 0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.56 2qam s ARG 47 Cb -0.10 -1.53 -0.10 0.00 -0.57 0.00 0.00 34.95 32.66 2qam s ARG 47 CO 0.43 -4.04 1.12 1.03 -1.08 0.00 0.00 175.30 172.76 2qam s ARG 48 N -5.17 4.61 -1.42 3.89 0.52 -1.26 -3.35 118.95 116.77 2qam s ARG 48 Ca 0.69 1.84 -0.07 0.00 -0.52 0.00 0.00 55.73 57.68 2qam s ARG 48 Cb -0.13 -3.18 0.04 0.00 0.52 0.00 0.00 34.95 32.19 2qam s ARG 48 CO 0.58 0.16 0.56 0.41 0.02 0.00 0.00 175.30 177.03 2qam n GLY 49 N 1.21 -0.51 2.88 -3.53 0.00 -1.26 -4.88 105.19 99.10 2qam n GLY 49 Ca -0.01 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qam n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qam n PHE 50 N -4.24 2.73 -1.52 1.61 -0.00 -1.21 -4.72 117.46 110.10 2qam n PHE 50 Ca -0.06 -2.73 -0.21 0.00 -0.00 0.00 0.00 57.45 54.45 2qam n PHE 50 Cb 0.58 -1.76 -0.16 0.00 -0.00 0.00 0.00 39.48 38.14 2qam n PHE 50 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qam n GLU 51 N 3.10 0.25 0.00 -4.13 -0.58 -1.26 -4.60 120.64 113.42 2qam n GLU 51 Ca 0.37 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2qam n GLU 51 Cb 0.35 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 2qam n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qam n GLY 52 N 6.07 1.75 0.00 0.62 0.00 -1.26 -2.33 105.19 110.04 2qam n GLY 52 Ca 0.59 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.20 2qam n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 53 N 0.00 0.00 0.49 -0.02 0.00 -1.26 -5.08 105.19 99.32 2qam n GLY 53 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qam n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLN 54 N -1.14 -2.06 -2.39 1.61 10.64 -0.98 -4.92 117.38 118.14 2qam n GLN 54 Ca 0.00 -0.23 -0.42 0.00 -1.83 0.00 0.00 57.00 54.51 2qam n GLN 54 Cb 0.05 -0.27 -0.03 0.00 -0.86 0.00 0.00 30.24 29.14 2qam n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2qam s MET 55 N -3.33 4.30 1.08 2.61 -2.45 -1.26 -4.75 119.30 115.50 2qam s MET 55 Ca 0.10 1.75 -0.15 0.00 -1.25 0.00 0.00 55.69 56.14 2qam s MET 55 Cb -0.02 -3.63 0.15 0.00 1.25 0.00 0.00 34.83 32.59 2qam s MET 55 CO 0.08 -0.55 0.53 -2.30 1.05 0.00 0.00 175.02 173.83 2qam n PRO 56 N 5.65 -1.47 0.01 4.11 -0.02 -1.26 -4.79 135.00 137.24 2qam n PRO 56 Ca 0.12 -0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.09 2qam n PRO 56 Cb 0.45 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 2qam n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qam h LEU 57 N -2.14 0.64 -2.35 2.45 5.85 -1.95 -2.91 115.31 114.90 2qam h LEU 57 Ca -0.53 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 57.76 2qam h LEU 57 Cb 1.33 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2qam h LEU 57 CO 0.41 1.13 0.05 0.00 -0.34 0.00 0.00 178.44 179.69 2qam n TYR 58 N -3.91 0.24 0.10 1.25 0.18 -1.26 -3.47 117.16 110.29 2qam n TYR 58 Ca -0.04 -0.72 0.00 0.00 1.88 0.00 0.00 57.90 59.01 2qam n TYR 58 Cb 0.67 -0.36 0.00 0.00 -0.38 0.00 0.00 39.34 39.27 2qam n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qam n ARG 59 N 0.57 0.00 0.27 -3.48 5.12 -1.11 -4.79 116.66 113.24 2qam n ARG 59 Ca 0.05 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.13 2qam n ARG 59 Cb 0.57 -0.19 0.89 0.00 -1.16 0.00 0.00 32.46 32.58 2qam n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qam h ARG 60 N 0.00 0.00 -5.22 5.56 3.08 -1.61 -3.40 114.38 112.79 2qam h ARG 60 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2qam h ARG 60 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 2qam h ARG 60 CO 0.00 0.00 -0.29 -0.51 -1.07 0.00 0.00 179.97 178.10 2qam s LEU 61 N -5.42 4.09 1.13 3.04 1.02 -1.23 -5.08 118.68 116.24 2qam s LEU 61 Ca -0.04 0.31 -0.16 0.00 0.02 0.00 0.00 54.13 54.26 2qam s LEU 61 Cb 0.09 -2.37 0.16 0.00 0.02 0.00 0.00 46.19 44.09 2qam s LEU 61 CO 0.30 -0.09 0.37 -2.65 0.02 0.00 0.00 176.35 174.30 2qam n PRO 62 N 4.82 -1.80 -4.05 1.29 -0.02 -1.26 -4.94 135.00 129.04 2qam n PRO 62 Ca -0.10 -0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 60.57 2qam n PRO 62 Cb 0.51 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.96 2qam n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qam s LYS 63 N -3.78 2.44 -0.95 -0.52 -2.85 -1.26 -5.06 119.74 107.77 2qam s LYS 63 Ca 0.60 -0.76 -0.14 0.00 -1.00 0.00 0.00 55.97 54.68 2qam s LYS 63 Cb -0.17 -2.37 0.21 0.00 -2.06 0.00 0.00 37.83 33.44 2qam s LYS 63 CO 0.66 -0.29 0.98 -0.59 0.10 0.00 0.00 175.35 176.21 2qam s PHE 64 N 1.38 3.74 0.00 1.78 -0.12 -1.26 -5.03 117.98 118.47 2qam s PHE 64 Ca 0.03 -2.06 0.00 0.00 -0.05 0.00 0.00 56.93 54.85 2qam s PHE 64 Cb -0.14 -3.96 0.00 0.00 -0.63 0.00 0.00 43.02 38.29 2qam s PHE 64 CO -0.10 -1.11 0.00 0.41 -0.05 0.00 0.00 175.22 174.36 2qam n GLY 65 N 3.97 -1.80 0.03 1.99 0.00 -1.26 -5.04 105.19 103.09 2qam n GLY 65 Ca 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qam n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qam n PHE 66 N -0.53 0.00 -3.91 1.61 7.35 -1.26 -5.09 117.46 115.63 2qam n PHE 66 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 2qam n PHE 66 Cb 0.00 -0.71 -0.17 0.00 0.35 0.00 0.00 39.48 38.95 2qam n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qam s THR 67 N -0.39 0.55 0.05 -2.13 -4.23 -1.26 -5.06 115.64 103.17 2qam s THR 67 Ca 0.00 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.43 2qam s THR 67 Cb 0.00 -0.64 0.02 0.00 1.34 0.00 0.00 72.50 73.22 2qam s THR 67 CO 0.00 0.27 0.38 -1.54 -0.54 0.00 0.00 174.62 173.20 2qam n SER 68 N 4.81 -0.21 -1.39 3.99 3.41 -1.26 -4.72 113.62 118.25 2qam n SER 68 Ca -0.13 0.44 -0.17 0.00 -0.26 0.00 0.00 58.87 58.75 2qam n SER 68 Cb 0.50 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 2qam n SER 68 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qam n ARG 69 N -4.34 -1.23 0.00 4.33 0.00 -1.26 -4.57 116.66 109.59 2qam n ARG 69 Ca 0.01 1.10 0.00 0.00 -0.00 0.00 0.00 57.85 58.96 2qam n ARG 69 Cb 0.08 -5.35 0.00 0.00 0.00 0.00 0.00 32.46 27.19 2qam n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qam n LYS 70 N -2.51 0.35 0.26 -0.14 4.81 -1.26 -4.83 118.16 114.83 2qam n LYS 70 Ca -0.18 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.43 2qam n LYS 70 Cb 0.58 -0.27 0.74 0.00 0.02 0.00 0.00 35.03 36.10 2qam n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qam h ALA 71 N 0.00 1.00 -0.16 3.14 0.00 -1.92 -2.01 119.26 119.31 2qam h ALA 71 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2qam h ALA 71 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qam h ALA 71 CO 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 2qam h ALA 72 N 2.05 1.20 -0.57 0.00 0.00 -1.95 -2.10 119.26 117.89 2qam h ALA 72 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2qam h ALA 72 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2qam h ALA 72 CO 0.00 0.52 0.08 0.44 0.00 0.00 0.00 179.25 180.29 2qam n ILE 73 N -4.11 2.57 -4.14 0.00 -5.35 -0.76 -4.74 119.36 102.83 2qam n ILE 73 Ca -0.01 -1.33 -0.33 0.00 -0.27 0.00 0.00 62.75 60.81 2qam n ILE 73 Cb 0.40 -0.33 -0.16 0.00 -1.74 0.00 0.00 39.64 37.81 2qam n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qam s THR 74 N -2.65 2.00 0.48 7.28 2.01 -0.79 0.98 115.64 124.95 2qam s THR 74 Ca 0.50 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.68 2qam s THR 74 Cb 0.38 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 71.12 2qam s THR 74 CO 0.14 0.53 0.62 0.00 -0.69 0.00 0.00 174.62 175.22 2qam s ALA 75 N 1.29 4.54 -0.36 7.40 0.00 0.18 -4.94 121.76 129.87 2qam s ALA 75 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2qam s ALA 75 Cb -0.13 -1.45 0.12 0.00 0.00 0.00 0.00 23.12 21.65 2qam s ALA 75 CO -0.12 -0.49 0.17 -2.00 0.00 0.00 0.00 175.76 173.32 2qam s GLU 76 N -4.43 0.89 0.56 0.00 2.12 -1.26 -3.17 118.70 113.40 2qam s GLU 76 Ca 0.56 -1.44 -0.17 0.00 0.36 0.00 0.00 54.97 54.28 2qam s GLU 76 Cb -0.07 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.27 2qam s GLU 76 CO 0.34 -1.08 1.04 0.42 -0.54 0.00 0.00 175.26 175.43 2qam s ILE 77 N 1.09 3.96 0.20 -3.70 1.01 -0.10 -4.96 121.20 118.70 2qam s ILE 77 Ca 0.14 0.97 0.11 0.00 0.00 0.00 0.00 60.65 61.87 2qam s ILE 77 Cb -0.21 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2qam s ILE 77 CO -0.12 -0.51 -0.22 -0.13 0.00 0.00 0.00 174.94 173.96 2qam s ARG 78 N -3.95 1.50 0.48 2.79 0.52 -1.18 -4.00 118.95 115.12 2qam s ARG 78 Ca 0.63 -1.55 0.14 0.00 -0.52 0.00 0.00 55.73 54.42 2qam s ARG 78 Cb -0.15 -1.73 1.13 0.00 0.52 0.00 0.00 34.95 34.72 2qam s ARG 78 CO 0.33 0.36 2.10 -0.07 0.02 0.00 0.00 175.30 178.04 2qam h LEU 79 N 3.03 0.11 -2.06 2.53 3.38 -1.62 -0.29 115.31 120.39 2qam h LEU 79 Ca -0.44 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.60 2qam h LEU 79 Cb 1.22 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2qam h LEU 79 CO 0.51 0.11 0.21 0.77 0.09 0.00 0.00 178.44 180.13 2qam h SER 80 N 0.13 0.00 0.00 -0.43 4.64 -1.87 -3.37 113.55 112.65 2qam h SER 80 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2qam h SER 80 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2qam h SER 80 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2qam n ASP 81 N -4.30 0.00 0.00 4.97 8.00 -0.12 -4.31 116.55 120.79 2qam n ASP 81 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2qam n ASP 81 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2qam n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qam n LEU 82 N 0.00 0.00 0.02 0.64 4.32 -1.26 -4.16 117.00 116.56 2qam n LEU 82 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 2qam n LEU 82 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2qam n LEU 82 CO 0.00 0.00 0.54 0.00 -1.22 0.00 0.00 177.39 176.71 2qam n ALA 83 N 0.00 1.00 -0.82 -1.18 0.00 -1.26 0.12 120.51 118.37 2qam n ALA 83 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.50 2qam n ALA 83 Cb 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.47 2qam n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qam n LYS 84 N -1.58 1.54 0.00 0.00 2.85 -1.26 -4.70 118.16 115.01 2qam n LYS 84 Ca -0.00 -1.72 0.00 0.00 -1.05 0.00 0.00 58.31 55.54 2qam n LYS 84 Cb 0.01 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 2qam n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qam n VAL 85 N -0.73 0.00 -2.83 0.58 3.14 0.12 -4.88 118.33 113.73 2qam n VAL 85 Ca 0.06 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.42 2qam n VAL 85 Cb 0.50 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 2qam n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qam n GLU 86 N -0.23 -2.86 0.00 1.45 4.07 -1.26 -4.79 120.64 117.02 2qam n GLU 86 Ca 0.00 2.39 0.00 0.00 -0.06 0.00 0.00 57.16 59.49 2qam n GLU 86 Cb 0.08 -4.74 0.00 0.00 -0.06 0.00 0.00 31.44 26.73 2qam n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qam n GLY 87 N 0.61 -1.81 0.00 8.31 0.00 -1.26 -4.97 105.19 106.07 2qam n GLY 87 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2qam n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 88 N 0.00 0.29 2.79 -0.02 0.00 -1.26 -4.90 105.19 102.09 2qam n GLY 88 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2qam n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qam n VAL 89 N -0.05 -0.96 -2.76 1.61 3.14 -1.25 -4.78 118.33 113.29 2qam n VAL 89 Ca 0.00 0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 60.97 2qam n VAL 89 Cb 0.00 -2.29 0.00 0.00 -1.06 0.00 0.00 33.84 30.49 2qam n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qam n VAL 90 N 2.32 4.10 -0.65 1.55 0.31 -1.02 -4.79 118.33 120.15 2qam n VAL 90 Ca 0.00 -4.41 -0.31 0.00 -0.01 0.00 0.00 64.34 59.61 2qam n VAL 90 Cb 0.03 -2.41 0.18 0.00 -0.91 0.00 0.00 33.84 30.73 2qam n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qam n ASP 91 N 7.01 -1.66 -0.31 4.52 -0.08 -1.25 0.48 116.55 125.26 2qam n ASP 91 Ca 0.43 0.08 0.22 0.00 -1.51 0.00 0.00 54.79 54.01 2qam n ASP 91 Cb 0.44 -1.19 0.51 0.00 2.34 0.00 0.00 41.12 43.22 2qam n ASP 91 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2qam h LEU 92 N -2.08 0.43 0.00 -2.67 -0.00 -1.13 -3.38 115.31 106.48 2qam h LEU 92 Ca -0.51 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2qam h LEU 92 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2qam h LEU 92 CO 0.41 0.10 0.00 -0.46 -0.00 0.00 0.00 178.44 178.49 2qam n ASN 93 N -4.60 0.00 0.00 0.17 6.94 -1.26 -4.84 115.26 111.67 2qam n ASN 93 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 2qam n ASN 93 Cb 0.86 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.28 2qam n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qam n THR 94 N 0.00 0.00 -0.25 5.53 -1.04 -1.26 -3.68 114.28 113.58 2qam n THR 94 Ca 0.00 0.00 0.28 0.00 -2.04 0.00 0.00 64.05 62.29 2qam n THR 94 Cb 0.00 0.00 0.67 0.00 -1.82 0.00 0.00 70.33 69.18 2qam n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qam h LEU 95 N 0.00 0.12 0.92 -4.42 4.07 -1.87 1.14 115.31 115.28 2qam h LEU 95 Ca 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2qam h LEU 95 Cb 0.00 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 2qam h LEU 95 CO 0.00 0.03 -0.46 0.11 -1.08 0.00 0.00 178.44 177.05 2qam h LYS 96 N 0.11 -1.21 0.00 1.13 1.57 -1.90 -0.67 116.57 115.60 2qam h LYS 96 Ca 0.49 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2qam h LYS 96 Cb 1.76 0.27 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2qam h LYS 96 CO -0.07 -0.81 0.00 0.00 -0.57 0.00 0.00 179.45 178.00 2qam h ALA 97 N -1.39 1.00 -0.35 3.86 0.00 -1.10 0.16 119.26 121.45 2qam h ALA 97 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qam h ALA 97 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qam h ALA 97 CO 0.20 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2qam n ALA 98 N -1.96 3.12 -3.44 0.00 0.00 0.37 -4.96 120.51 113.65 2qam n ALA 98 Ca -0.01 -1.02 -0.36 0.00 0.00 0.00 0.00 53.44 52.06 2qam n ALA 98 Cb 0.16 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.60 2qam n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qam n ASN 99 N 0.43 -5.74 -0.03 0.00 4.13 0.55 -4.89 115.26 109.71 2qam n ASN 99 Ca 0.15 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2qam n ASN 99 Cb 0.70 -1.96 0.00 0.00 -1.54 0.00 0.00 39.78 36.98 2qam n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qam n ILE 100 N -0.14 0.00 0.03 2.41 3.06 -0.58 -5.00 119.36 119.15 2qam n ILE 100 Ca -0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 2qam n ILE 100 Cb 0.66 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.84 2qam n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qam n ILE 101 N 0.00 0.02 0.00 9.51 2.08 -1.24 -4.88 119.36 124.85 2qam n ILE 101 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2qam n ILE 101 Cb 0.05 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 2qam n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qam n GLY 102 N 1.64 3.82 0.36 7.39 0.00 -1.26 -4.76 105.19 112.37 2qam n GLY 102 Ca 0.00 -0.95 0.17 0.00 0.00 0.00 0.00 46.02 45.24 2qam n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qam h ILE 103 N 0.00 0.17 0.00 -0.61 5.03 -1.99 -0.40 117.51 119.71 2qam h ILE 103 Ca 0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 64.63 2qam h ILE 103 Cb 0.00 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 34.43 2qam h ILE 103 CO 0.00 0.00 -1.03 1.56 -0.68 0.00 0.00 178.15 178.00 2qam h GLN 104 N 0.00 0.00 -6.99 2.37 1.08 -1.96 -3.48 115.11 106.13 2qam h GLN 104 Ca 0.08 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.74 2qam h GLN 104 Cb 0.84 0.00 0.19 0.00 -0.05 0.00 0.00 27.48 28.46 2qam h GLN 104 CO -0.00 0.28 -0.03 -0.89 -0.95 0.00 0.00 178.83 177.24 2qam n ILE 105 N -2.95 1.47 0.00 2.54 2.08 -0.16 -4.73 119.36 117.60 2qam n ILE 105 Ca -0.04 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2qam n ILE 105 Cb 0.75 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 2qam n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qam n GLU 106 N -2.40 0.44 -4.32 0.38 1.02 0.28 -4.98 120.64 111.05 2qam n GLU 106 Ca 0.11 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.06 2qam n GLU 106 Cb 0.51 -0.50 -0.13 0.00 -0.02 0.00 0.00 31.44 31.30 2qam n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qam s PHE 107 N -0.93 1.14 -0.00 -0.32 0.08 -0.73 -5.03 117.98 112.18 2qam s PHE 107 Ca 0.00 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.44 2qam s PHE 107 Cb 0.00 -0.68 0.06 0.00 -0.57 0.00 0.00 43.02 41.83 2qam s PHE 107 CO 0.00 0.02 0.58 0.00 -0.10 0.00 0.00 175.22 175.72 2qam s ALA 108 N -0.85 -1.49 0.02 5.36 0.00 -1.26 0.49 121.76 124.02 2qam s ALA 108 Ca 0.01 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.92 2qam s ALA 108 Cb -0.08 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2qam s ALA 108 CO 0.01 -0.43 -0.09 0.15 0.00 0.00 0.00 175.76 175.41 2qam s LYS 109 N -1.77 2.44 -0.00 0.00 -0.14 -1.19 -3.07 119.74 116.01 2qam s LYS 109 Ca -0.09 -0.79 -0.24 0.00 -1.36 0.00 0.00 55.97 53.50 2qam s LYS 109 Cb -0.01 -2.43 -0.14 0.00 -1.68 0.00 0.00 37.83 33.57 2qam s LYS 109 CO 0.04 0.58 1.05 0.28 -0.76 0.00 0.00 175.35 176.54 2qam h VAL 110 N 3.75 0.28 -3.68 3.17 2.07 -1.69 -0.25 116.25 119.90 2qam h VAL 110 Ca -0.48 -0.50 0.15 0.00 0.82 0.00 0.00 66.70 66.70 2qam h VAL 110 Cb 1.16 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 2qam h VAL 110 CO 0.53 0.05 -1.11 -0.38 0.02 0.00 0.00 177.57 176.68 2qam n ILE 111 N -5.24 -2.04 -3.71 4.57 2.08 -1.26 -3.11 119.36 110.65 2qam n ILE 111 Ca -0.10 1.23 -0.36 0.00 0.56 0.00 0.00 62.75 64.08 2qam n ILE 111 Cb 0.30 -1.99 -0.07 0.00 -0.75 0.00 0.00 39.64 37.14 2qam n ILE 111 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2qam s LEU 112 N -6.25 4.28 -0.00 1.39 2.34 -1.26 -2.54 118.68 116.65 2qam s LEU 112 Ca 0.00 0.40 0.04 0.00 0.06 0.00 0.00 54.13 54.63 2qam s LEU 112 Cb 0.00 -2.18 -0.05 0.00 -0.56 0.00 0.00 46.19 43.40 2qam s LEU 112 CO 0.00 0.23 0.14 0.00 -1.06 0.00 0.00 176.35 175.66 2qam n ALA 113 N 3.01 2.38 0.00 1.48 0.00 -1.26 -4.62 120.51 121.49 2qam n ALA 113 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2qam n ALA 113 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2qam n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qam n GLY 114 N 1.57 1.74 3.51 0.00 0.00 -1.26 -4.79 105.19 105.96 2qam n GLY 114 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2qam n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qam s GLU 115 N -0.21 1.70 0.00 1.61 8.01 -1.26 -4.95 118.70 123.60 2qam s GLU 115 Ca 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 54.97 53.45 2qam s GLU 115 Cb 0.00 0.44 0.00 0.00 -4.31 0.00 0.00 34.13 30.26 2qam s GLU 115 CO 0.00 -0.70 0.00 1.55 0.01 0.00 0.00 175.26 176.12 2qam n VAL 116 N -0.46 0.00 0.00 2.63 3.14 -1.26 -4.52 118.33 117.86 2qam n VAL 116 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qam n VAL 116 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2qam n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qam n THR 117 N 0.00 0.00 -2.01 1.55 -1.04 -1.26 -4.65 114.28 106.86 2qam n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2qam n THR 117 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2qam n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qam s THR 118 N 0.00 2.82 0.06 12.58 -1.32 -1.26 -4.80 115.64 123.71 2qam s THR 118 Ca 0.00 0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 60.78 2qam s THR 118 Cb 0.00 -3.39 -0.09 0.00 -1.51 0.00 0.00 72.50 67.51 2qam s THR 118 CO 0.00 0.06 1.93 -2.84 -2.21 0.00 0.00 174.62 171.55 2qam s PRO 119 N 0.86 4.14 0.10 7.08 0.02 -1.19 -4.92 135.00 141.09 2qam s PRO 119 Ca 0.67 2.60 0.06 0.00 0.02 0.00 0.00 61.00 64.34 2qam s PRO 119 Cb -0.41 -4.02 -0.03 0.00 0.02 0.00 0.00 34.50 30.06 2qam s PRO 119 CO 0.33 -0.93 -0.14 0.08 -0.33 0.00 0.00 177.00 176.01 2qam s VAL 120 N 4.02 1.26 -0.52 3.83 1.01 -1.26 -4.97 120.40 123.77 2qam s VAL 120 Ca 0.86 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2qam s VAL 120 Cb -0.43 -1.34 0.13 0.00 0.00 0.00 0.00 36.38 34.74 2qam s VAL 120 CO 0.40 -0.32 0.28 0.42 0.00 0.00 0.00 175.10 175.88 2qam s THR 121 N -1.73 2.40 0.41 3.92 -4.23 -1.26 -2.57 115.64 112.57 2qam s THR 121 Ca 0.04 -3.28 -0.26 0.00 -1.18 0.00 0.00 61.69 57.01 2qam s THR 121 Cb -0.07 -2.66 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 2qam s THR 121 CO 0.03 -0.84 1.21 1.33 -0.54 0.00 0.00 174.62 175.80 2qam n VAL 122 N 3.07 2.46 -4.47 2.29 0.24 -0.95 -2.43 118.33 118.53 2qam n VAL 122 Ca 0.07 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.67 2qam n VAL 122 Cb 0.33 -1.45 -0.15 0.00 -1.47 0.00 0.00 33.84 31.10 2qam n VAL 122 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2qam s ARG 123 N -2.11 0.91 -1.45 7.34 1.81 0.18 -2.43 118.95 123.20 2qam s ARG 123 Ca 0.61 -0.44 -0.10 0.00 -1.72 0.00 0.00 55.73 54.08 2qam s ARG 123 Cb -0.53 -0.88 0.05 0.00 -0.45 0.00 0.00 34.95 33.14 2qam s ARG 123 CO 0.58 0.24 0.98 0.41 -0.68 0.00 0.00 175.30 176.83 2qam n GLY 124 N 2.71 -0.47 3.47 -3.53 0.00 -1.26 -0.87 105.19 105.24 2qam n GLY 124 Ca -0.14 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2qam n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qam s LEU 125 N -7.15 0.84 0.57 0.99 1.43 -1.26 -3.99 118.68 110.11 2qam s LEU 125 Ca 0.51 -1.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.37 2qam s LEU 125 Cb -0.25 1.37 0.07 0.00 0.03 0.00 0.00 46.19 47.41 2qam s LEU 125 CO 0.80 -1.18 0.59 -0.13 0.23 0.00 0.00 176.35 176.67 2qam s ARG 126 N -3.52 2.24 -0.28 1.70 0.52 -1.17 -4.31 118.95 114.12 2qam s ARG 126 Ca 0.30 -1.90 -0.26 0.00 -0.52 0.00 0.00 55.73 53.35 2qam s ARG 126 Cb 0.01 -2.32 0.17 0.00 0.52 0.00 0.00 34.95 33.33 2qam s ARG 126 CO 0.16 -0.79 1.31 0.54 0.02 0.00 0.00 175.30 176.54 2qam s VAL 127 N -2.76 0.00 0.55 3.52 0.11 -1.26 -2.39 120.40 118.16 2qam s VAL 127 Ca 0.46 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.31 2qam s VAL 127 Cb -0.04 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.76 2qam s VAL 127 CO 0.29 0.00 1.13 0.42 -3.33 0.00 0.00 175.10 173.61 2qam s THR 128 N -0.10 3.16 -1.31 5.04 -4.23 -1.26 -4.77 115.64 112.17 2qam s THR 128 Ca 0.06 0.71 0.13 0.00 -1.18 0.00 0.00 61.69 61.41 2qam s THR 128 Cb -0.04 -3.28 0.19 0.00 1.34 0.00 0.00 72.50 70.71 2qam s THR 128 CO -0.12 -0.17 1.35 2.29 -0.54 0.00 0.00 174.62 177.44 2qam n LYS 129 N -1.36 0.13 0.02 3.99 2.85 -1.26 -0.04 118.16 122.49 2qam n LYS 129 Ca 0.12 0.20 0.11 0.00 -1.05 0.00 0.00 58.31 57.69 2qam n LYS 129 Cb 0.51 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.43 2qam n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qam n GLY 130 N -0.20 -1.18 0.08 2.58 0.00 -1.26 -4.12 105.19 101.09 2qam n GLY 130 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 2qam n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qam n ALA 131 N -1.72 1.63 0.62 4.61 0.00 0.16 -3.99 120.51 121.82 2qam n ALA 131 Ca 0.03 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.70 2qam n ALA 131 Cb 0.40 0.07 0.07 0.00 0.00 0.00 0.00 19.45 19.99 2qam n ALA 131 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qam n ARG 132 N -2.93 0.31 -0.04 0.00 1.85 0.94 -0.18 116.66 116.62 2qam n ARG 132 Ca -0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.49 2qam n ARG 132 Cb 0.85 -1.12 -0.02 0.00 -1.05 0.00 0.00 32.46 31.13 2qam n ARG 132 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qam n ALA 133 N -0.62 1.81 0.27 2.89 0.00 -1.26 -4.03 120.51 119.58 2qam n ALA 133 Ca 0.02 -0.49 0.12 0.00 0.00 0.00 0.00 53.44 53.09 2qam n ALA 133 Cb 0.01 0.14 0.77 0.00 0.00 0.00 0.00 19.45 20.37 2qam n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qam h ALA 134 N -0.57 1.79 -0.25 0.00 0.00 -1.56 0.81 119.26 119.47 2qam h ALA 134 Ca -0.05 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2qam h ALA 134 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2qam h ALA 134 CO -0.03 -0.02 -0.59 0.97 0.00 0.00 0.00 179.25 179.58 2qam h ILE 135 N 0.00 1.28 0.00 0.00 2.10 -0.81 -2.92 117.51 117.16 2qam h ILE 135 Ca 0.01 -1.78 -0.08 0.00 1.08 0.00 0.00 64.86 64.09 2qam h ILE 135 Cb 0.03 1.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2qam h ILE 135 CO -0.00 0.58 -0.36 -0.33 -1.08 0.00 0.00 178.15 176.96 2qam h GLU 136 N 0.61 0.00 -0.06 2.19 5.08 -1.20 0.14 114.58 121.34 2qam h GLU 136 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2qam h GLU 136 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2qam h GLU 136 CO 0.13 0.36 0.11 0.00 -1.00 0.00 0.00 179.01 178.61 2qam h ALA 137 N 1.64 1.47 -0.88 3.43 0.00 0.74 0.68 119.26 126.34 2qam h ALA 137 Ca -0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2qam h ALA 137 Cb 1.21 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 2qam h ALA 137 CO 0.05 -0.14 -0.52 0.00 0.00 0.00 0.00 179.25 178.64 2qam n ALA 138 N -2.22 5.25 -3.47 0.00 0.00 -1.13 -4.93 120.51 114.02 2qam n ALA 138 Ca -0.01 -3.82 -0.19 0.00 0.00 0.00 0.00 53.44 49.42 2qam n ALA 138 Cb 0.20 -0.60 0.06 0.00 0.00 0.00 0.00 19.45 19.11 2qam n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qam n GLY 139 N -0.71 -0.67 0.00 0.00 0.00 0.23 -3.18 105.19 100.85 2qam n GLY 139 Ca 0.46 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2qam n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 140 N -1.33 0.10 3.65 -0.02 0.00 0.02 -4.03 105.19 103.57 2qam n GLY 140 Ca -0.20 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 2qam n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qam s LYS 141 N -0.17 0.28 -0.14 1.61 2.36 -1.06 -4.81 119.74 117.80 2qam s LYS 141 Ca 0.00 0.45 -0.08 0.00 -2.55 0.00 0.00 55.97 53.79 2qam s LYS 141 Cb 0.00 0.08 -0.04 0.00 -1.05 0.00 0.00 37.83 36.82 2qam s LYS 141 CO 0.00 -0.05 0.13 0.42 1.55 0.00 0.00 175.35 177.40 2qam s ILE 142 N 0.97 5.41 0.00 5.43 1.09 -1.26 -2.25 121.20 130.58 2qam s ILE 142 Ca -0.05 0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.67 2qam s ILE 142 Cb -0.04 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 2qam s ILE 142 CO -0.12 0.57 0.02 -1.84 -0.10 0.00 0.00 174.94 173.46 2qam n GLU 143 N 2.45 0.00 -0.59 2.79 0.00 -1.02 -4.99 120.64 119.28 2qam n GLU 143 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2qam n GLU 143 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 31.44 31.79 2qam n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22