#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e s LYS 2 N 0.00 0.68 0.36 0.03 1.02 -1.26 -5.04 119.74 115.53 3i9e s LYS 2 Ca 0.00 0.07 0.08 0.00 0.02 0.00 0.00 55.97 56.14 3i9e s LYS 2 Cb 0.00 0.32 0.79 0.00 -0.52 0.00 0.00 37.83 38.42 3i9e s LYS 2 CO 0.00 -0.23 1.91 -0.07 -0.92 0.00 0.00 175.35 176.04 3i9e h LEU 3 N 2.49 0.65 -7.02 3.17 3.38 -2.08 -2.70 115.31 113.20 3i9e h LEU 3 Ca -0.20 0.02 -0.72 0.00 0.09 0.00 0.00 57.88 57.08 3i9e h LEU 3 Cb 1.17 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 3i9e h LEU 3 CO 0.32 0.37 2.24 -1.54 0.09 0.00 0.00 178.44 179.92 3i9e n SER 4 N -4.51 4.74 0.00 -0.43 3.41 -1.26 -2.74 113.62 112.83 3i9e n SER 4 Ca 0.14 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 3i9e n SER 4 Cb 0.36 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 3i9e n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i9e n ASP 5 N 6.20 0.00 0.00 4.04 2.03 -1.02 -5.08 116.55 122.72 3i9e n ASP 5 Ca 0.45 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.76 3i9e n ASP 5 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3i9e n ASP 5 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i9e n LEU 6 N 0.00 0.28 -1.44 -2.67 7.99 -1.11 -4.95 117.00 115.11 3i9e n LEU 6 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 3i9e n LEU 6 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i9e n LEU 6 CO 0.00 0.00 -0.30 -2.11 -1.51 0.00 0.00 177.39 173.47 3i9e n ARG 7 N -0.15 -2.94 -2.89 3.23 1.85 -1.26 -4.87 116.66 109.63 3i9e n ARG 7 Ca 0.00 2.21 -0.40 0.00 -1.00 0.00 0.00 57.85 58.66 3i9e n ARG 7 Cb 0.00 -2.73 -0.06 0.00 -1.05 0.00 0.00 32.46 28.63 3i9e n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3i9e s PRO 8 N -3.61 4.65 0.13 2.89 0.04 -1.26 -5.02 135.00 132.82 3i9e s PRO 8 Ca 0.00 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 3i9e s PRO 8 Cb 0.00 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 3i9e s PRO 8 CO 0.00 0.47 1.16 0.54 0.04 0.00 0.00 177.00 179.21 3i9e s ASN 9 N -0.85 7.15 0.00 6.66 2.20 -1.26 -4.87 114.94 123.97 3i9e s ASN 9 Ca 0.39 2.09 0.00 0.00 -0.94 0.00 0.00 52.86 54.40 3i9e s ASN 9 Cb -0.24 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.42 3i9e s ASN 9 CO 0.28 -0.36 0.00 -2.65 -2.94 0.00 0.00 177.10 171.43 3i9e n PRO 10 N 3.05 0.00 -1.52 3.55 -0.02 -1.26 -4.38 135.00 134.42 3i9e n PRO 10 Ca 0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.39 3i9e n PRO 10 Cb 0.46 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.83 3i9e n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9e n GLY 11 N 0.00 -0.27 0.00 -1.23 0.00 -1.26 -2.83 105.19 99.60 3i9e n GLY 11 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i9e n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9e n ALA 12 N 15.25 0.00 1.75 4.61 0.00 -1.26 -4.80 120.51 136.05 3i9e n ALA 12 Ca 0.49 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.05 3i9e n ALA 12 Cb 0.37 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.56 3i9e n ALA 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i9e n ASN 13 N -0.35 0.00 -0.49 0.00 5.15 -1.13 -3.45 115.26 114.98 3i9e n ASN 13 Ca 0.00 -0.97 0.41 0.00 -0.60 0.00 0.00 54.58 53.42 3i9e n ASN 13 Cb 0.00 0.00 0.64 0.00 -0.53 0.00 0.00 39.78 39.89 3i9e n ASN 13 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 3i9e n LYS 14 N -0.94 0.01 0.00 1.20 0.00 -1.26 -3.07 118.16 114.09 3i9e n LYS 14 Ca 0.19 1.00 0.00 0.00 0.00 0.00 0.00 58.31 59.50 3i9e n LYS 14 Cb 0.08 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 32.73 3i9e n LYS 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i9e n ARG 15 N -3.55 0.00 0.00 1.64 3.00 -1.22 -4.42 116.66 112.10 3i9e n ARG 15 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 3i9e n ARG 15 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32.46 34.20 3i9e n ARG 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3i9e n ARG 16 N -0.53 0.00 -0.61 -0.14 0.00 -1.17 -4.81 116.66 109.40 3i9e n ARG 16 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 3i9e n ARG 16 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.46 32.49 3i9e n ARG 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i9e n LYS 17 N 0.00 0.02 0.00 2.89 5.02 -1.26 -5.11 118.16 119.72 3i9e n LYS 17 Ca 0.00 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 3i9e n LYS 17 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 3i9e n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9e n ARG 18 N -1.48 2.20 -1.42 1.97 1.74 -1.26 -5.15 116.66 113.25 3i9e n ARG 18 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3i9e n ARG 18 Cb 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 3i9e n ARG 18 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3i9e n VAL 19 N 0.00 0.00 -1.66 1.55 3.14 -1.26 -4.97 118.33 115.13 3i9e n VAL 19 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 3i9e n VAL 19 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3i9e n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i9e n GLY 20 N 0.00 0.43 0.00 7.55 0.00 -1.20 -4.84 105.19 107.13 3i9e n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9e n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9e n ARG 21 N 0.00 0.00 -2.93 1.61 3.00 -1.25 -4.41 116.66 112.69 3i9e n ARG 21 Ca -0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.55 3i9e n ARG 21 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.83 3i9e n ARG 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3i9e s GLY 22 N 0.00 1.50 0.19 5.14 0.00 -1.26 -4.47 107.32 108.42 3i9e s GLY 22 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 3i9e s GLY 22 CO 0.00 -0.69 1.17 2.56 0.00 0.00 0.00 173.10 176.14 3i9e s PRO 23 N -4.60 4.52 0.00 2.90 0.04 -1.26 -4.04 135.00 132.56 3i9e s PRO 23 Ca 0.47 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3i9e s PRO 23 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3i9e s PRO 23 CO 0.40 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.81 3i9e n GLY 24 N 2.08 -0.25 0.00 0.56 0.00 -1.26 -4.82 105.19 101.50 3i9e n GLY 24 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3i9e n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9e n SER 25 N -0.42 0.00 0.00 1.61 3.41 -1.26 -5.07 113.62 111.89 3i9e n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i9e n SER 25 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3i9e n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9e n GLY 26 N 0.00 1.31 1.05 5.00 0.00 -1.26 -4.79 105.19 106.50 3i9e n GLY 26 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3i9e n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i9e n HIS 27 N 12.72 -0.20 -4.01 1.61 8.25 -1.26 -4.64 115.22 127.69 3i9e n HIS 27 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 3i9e n HIS 27 Cb 0.00 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 30.65 3i9e n HIS 27 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i9e s GLY 28 N -0.20 1.61 0.00 -1.41 0.00 -1.26 -3.26 107.32 102.81 3i9e s GLY 28 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3i9e s GLY 28 CO 0.00 -1.55 0.00 1.17 0.00 0.00 0.00 173.10 172.72 3i9e n LYS 29 N -1.23 0.00 -0.01 2.90 0.00 -1.26 -2.75 118.16 115.81 3i9e n LYS 29 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.35 3i9e n LYS 29 Cb 0.59 0.00 0.49 0.00 0.00 0.00 0.00 35.03 36.11 3i9e n LYS 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i9e n THR 30 N 0.00 0.03 -4.07 3.15 -2.24 -1.26 -4.93 114.28 104.96 3i9e n THR 30 Ca 0.00 -0.05 -0.46 0.00 -2.27 0.00 0.00 64.05 61.28 3i9e n THR 30 Cb 0.00 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.06 3i9e n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9e n ALA 31 N -0.63 -2.62 -0.63 6.98 0.00 -1.11 -0.39 120.51 122.11 3i9e n ALA 31 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3i9e n ALA 31 Cb 0.09 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.15 3i9e n ALA 31 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i9e n THR 32 N -4.90 0.00 1.18 0.00 5.66 -1.26 -4.76 114.28 110.19 3i9e n THR 32 Ca -0.13 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.00 3i9e n THR 32 Cb 0.57 -0.63 0.41 0.00 -1.55 0.00 0.00 70.33 69.13 3i9e n THR 32 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i9e n ARG 33 N 0.37 0.43 -0.60 1.09 1.74 0.47 -5.06 116.66 115.10 3i9e n ARG 33 Ca 0.00 -0.21 0.07 0.00 -0.77 0.00 0.00 57.85 56.94 3i9e n ARG 33 Cb 0.28 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 3i9e n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9e n GLY 34 N 1.40 -2.77 0.19 -0.13 0.00 -1.25 -4.49 105.19 98.12 3i9e n GLY 34 Ca 0.10 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 3i9e n GLY 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i9e h HIS 35 N -0.59 0.63 0.00 1.61 -0.00 -1.97 -3.46 115.15 111.37 3i9e h HIS 35 Ca -0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 3i9e h HIS 35 Cb 0.58 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 3i9e h HIS 35 CO 0.02 0.70 0.00 1.63 -0.00 0.00 0.00 177.93 180.28 3i9e n LYS 36 N -4.53 0.00 0.00 2.45 4.76 -1.26 -4.91 118.16 114.66 3i9e n LYS 36 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3i9e n LYS 36 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 3i9e n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9e n GLY 37 N -0.25 3.90 0.00 0.72 0.00 -1.26 -4.83 105.19 103.47 3i9e n GLY 37 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i9e n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i9e n GLN 38 N 0.00 0.00 -0.03 1.61 -0.06 -1.26 0.30 117.38 117.94 3i9e n GLN 38 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3i9e n GLN 38 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 3i9e n GLN 38 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 3i9e h LYS 39 N 0.00 0.17 -0.05 3.69 3.64 -1.95 -2.65 116.57 119.42 3i9e h LYS 39 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3i9e h LYS 39 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3i9e h LYS 39 CO 0.00 0.38 0.05 0.66 -2.27 0.00 0.00 179.45 178.27 3i9e h SER 40 N -0.07 0.00 -4.16 4.20 4.64 -0.38 -3.42 113.55 114.36 3i9e h SER 40 Ca 0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 3i9e h SER 40 Cb 0.29 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.54 3i9e h SER 40 CO 0.00 0.00 0.42 -0.13 -0.87 0.00 0.00 176.83 176.25 3i9e s ARG 41 N -4.73 2.25 0.00 4.77 3.00 -0.99 -4.97 118.95 118.29 3i9e s ARG 41 Ca -0.05 1.82 0.00 0.00 0.00 0.00 0.00 55.73 57.50 3i9e s ARG 41 Cb 0.16 -1.84 0.00 0.00 0.00 0.00 0.00 34.95 33.27 3i9e s ARG 41 CO 0.58 -1.77 0.00 0.45 0.00 0.00 0.00 175.30 174.56 3i9e n SER 42 N -2.51 0.00 -0.13 0.23 2.88 -1.26 -2.66 113.62 110.17 3i9e n SER 42 Ca 0.14 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.79 3i9e n SER 42 Cb 0.50 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.16 3i9e n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i9e n GLY 43 N 0.00 -0.36 0.00 0.46 0.00 -1.26 -4.85 105.19 99.17 3i9e n GLY 43 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3i9e n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 44 N -1.13 -0.56 3.99 -0.02 0.00 -1.09 -5.03 105.19 101.36 3i9e n GLY 44 Ca 0.14 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 3i9e n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9e s LEU 45 N 0.00 3.71 0.24 0.99 1.02 -1.26 -4.66 118.68 118.72 3i9e s LEU 45 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 54.13 53.67 3i9e s LEU 45 Cb 0.00 -2.79 -0.09 0.00 0.02 0.00 0.00 46.19 43.33 3i9e s LEU 45 CO 0.00 -0.70 1.11 -0.54 0.02 0.00 0.00 176.35 176.24 3i9e s LYS 46 N -4.38 4.61 -0.31 1.70 -0.14 -1.26 -4.77 119.74 115.18 3i9e s LYS 46 Ca 0.51 1.80 -0.03 0.00 -1.36 0.00 0.00 55.97 56.89 3i9e s LYS 46 Cb -0.10 -3.22 -0.11 0.00 -1.68 0.00 0.00 37.83 32.73 3i9e s LYS 46 CO 0.34 0.14 0.97 -3.47 -0.76 0.00 0.00 175.35 172.57 3i9e n ASP 47 N 1.64 -1.06 -0.37 2.83 4.64 -1.26 -4.70 116.55 118.27 3i9e n ASP 47 Ca 0.00 -0.60 0.33 0.00 -1.38 0.00 0.00 54.79 53.15 3i9e n ASP 47 Cb 0.45 -0.35 0.68 0.00 -1.04 0.00 0.00 41.12 40.86 3i9e n ASP 47 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3i9e h PRO 48 N 6.12 0.12 -0.10 -0.67 0.13 -1.87 0.15 132.00 135.88 3i9e h PRO 48 Ca 0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3i9e h PRO 48 Cb 0.65 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3i9e h PRO 48 CO 0.81 0.08 0.00 2.89 -0.23 0.00 0.00 178.00 181.54 3i9e n ARG 49 N -4.35 0.61 0.00 0.86 1.85 -1.26 -3.98 116.66 110.39 3i9e n ARG 49 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3i9e n ARG 49 Cb 1.23 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 3i9e n ARG 49 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i9e n ARG 50 N -0.38 0.00 -2.50 2.89 0.00 0.38 -5.13 116.66 111.93 3i9e n ARG 50 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 3i9e n ARG 50 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.45 3i9e n ARG 50 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 3i9e s PHE 51 N -0.32 3.18 -0.26 -0.14 5.36 -0.34 -4.84 117.98 120.61 3i9e s PHE 51 Ca 0.00 1.55 0.22 0.00 -0.96 0.00 0.00 56.93 57.74 3i9e s PHE 51 Cb 0.00 -2.94 0.51 0.00 -0.34 0.00 0.00 43.02 40.25 3i9e s PHE 51 CO 0.00 -0.59 1.11 0.39 -1.46 0.00 0.00 175.22 174.67 3i9e n GLU 52 N -1.20 1.75 -0.99 10.12 1.02 -1.26 -4.81 120.64 125.26 3i9e n GLU 52 Ca 0.08 -3.52 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 3i9e n GLU 52 Cb 0.53 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3i9e n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9e n GLY 53 N -0.58 0.34 0.00 0.62 0.00 -1.26 -3.36 105.19 100.95 3i9e n GLY 53 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i9e n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 54 N -1.63 1.48 3.94 -0.02 0.00 -1.26 -5.08 105.19 102.62 3i9e n GLY 54 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i9e n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i9e s ARG 55 N -0.68 0.53 -0.08 1.61 1.70 -1.21 -4.96 118.95 115.86 3i9e s ARG 55 Ca 0.00 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 3i9e s ARG 55 Cb 0.00 -1.87 -0.03 0.00 -0.57 0.00 0.00 34.95 32.48 3i9e s ARG 55 CO 0.00 -2.45 1.24 -1.12 -1.08 0.00 0.00 175.30 171.88 3i9e s SER 56 N -4.93 7.00 1.01 -2.89 0.01 -1.26 -4.78 113.70 107.87 3i9e s SER 56 Ca 0.75 1.80 -0.01 0.00 1.31 0.00 0.00 55.95 59.81 3i9e s SER 56 Cb -0.03 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.66 3i9e s SER 56 CO 0.53 -0.65 0.04 0.35 0.41 0.00 0.00 173.24 173.92 3i9e n THR 57 N 4.84 0.00 -2.39 1.44 -2.24 -1.26 -4.83 114.28 109.84 3i9e n THR 57 Ca 0.12 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 3i9e n THR 57 Cb 0.46 -0.70 0.01 0.00 -2.10 0.00 0.00 70.33 68.00 3i9e n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3i9e n THR 58 N -2.76 5.75 -1.91 4.28 -1.04 -1.26 -3.52 114.28 113.82 3i9e n THR 58 Ca 0.01 -5.36 0.01 0.00 -2.04 0.00 0.00 64.05 56.67 3i9e n THR 58 Cb 0.02 -1.72 0.14 0.00 -1.82 0.00 0.00 70.33 66.95 3i9e n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i9e n LEU 59 N 0.54 2.60 -0.19 -4.42 0.00 -1.26 -4.51 117.00 109.76 3i9e n LEU 59 Ca 0.52 -3.58 0.08 0.00 0.00 0.00 0.00 56.01 53.03 3i9e n LEU 59 Cb 0.26 -0.34 -0.04 0.00 0.00 0.00 0.00 43.42 43.29 3i9e n LEU 59 CO 0.57 1.30 0.12 0.80 0.00 0.00 0.00 177.39 180.18 3i9e n MET 60 N -0.70 1.84 0.00 1.96 1.56 -1.23 -4.95 117.12 115.60 3i9e n MET 60 Ca 0.19 -0.42 0.00 0.00 -0.27 0.00 0.00 57.70 57.20 3i9e n MET 60 Cb 0.83 -1.24 0.00 0.00 2.15 0.00 0.00 33.22 34.96 3i9e n MET 60 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3i9e n ARG 61 N -0.71 2.92 -3.63 2.12 3.00 -1.26 -5.13 116.66 113.96 3i9e n ARG 61 Ca 0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.74 3i9e n ARG 61 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.67 3i9e n ARG 61 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 3i9e s LEU 62 N 0.00 -0.19 -1.27 0.55 -0.00 -1.26 -5.09 118.68 111.42 3i9e s LEU 62 Ca 0.00 0.81 -0.10 0.00 -0.00 0.00 0.00 54.13 54.85 3i9e s LEU 62 Cb 0.00 2.07 -0.07 0.00 -0.00 0.00 0.00 46.19 48.19 3i9e s LEU 62 CO 0.00 -0.40 2.48 -0.81 -0.00 0.00 0.00 176.35 177.62 3i9e n PRO 63 N 1.82 2.81 -0.33 1.48 -0.04 -1.26 -4.73 135.00 134.75 3i9e n PRO 63 Ca -0.17 -1.92 0.20 0.00 -0.04 0.00 0.00 63.50 61.57 3i9e n PRO 63 Cb 0.56 -2.72 0.41 0.00 -0.04 0.00 0.00 33.50 31.71 3i9e n PRO 63 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i9e h LYS 64 N 5.84 0.31 -2.20 0.54 3.11 -2.03 -1.21 116.57 120.94 3i9e h LYS 64 Ca 0.66 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.48 3i9e h LYS 64 Cb 0.30 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 3i9e h LYS 64 CO 1.68 0.21 0.08 0.54 -2.81 0.00 0.00 179.45 179.14 3i9e n ARG 65 N -5.08 0.00 -0.93 1.90 1.74 -1.26 -4.76 116.66 108.28 3i9e n ARG 65 Ca 0.28 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.02 3i9e n ARG 65 Cb 0.87 -1.26 0.08 0.00 -1.02 0.00 0.00 32.46 31.13 3i9e n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9e n GLY 66 N 1.94 -2.98 1.65 -0.13 0.00 -0.46 -4.31 105.19 100.90 3i9e n GLY 66 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i9e n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i9e n MET 67 N 0.02 -0.45 0.00 1.61 0.00 -1.26 -5.00 117.12 112.05 3i9e n MET 67 Ca 0.04 0.79 0.02 0.00 -0.00 0.00 0.00 57.70 58.55 3i9e n MET 67 Cb 0.54 -1.55 0.01 0.00 0.00 0.00 0.00 33.22 32.21 3i9e n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i9e n GLN 68 N 0.09 1.22 0.00 2.12 3.00 -1.26 -5.12 117.38 117.43 3i9e n GLN 68 Ca -0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 3i9e n GLN 68 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 30.24 29.26 3i9e n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i9e n GLY 69 N 0.48 1.59 3.60 1.08 0.00 -1.26 -5.08 105.19 105.59 3i9e n GLY 69 Ca 0.02 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 3i9e n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i9e s GLN 70 N -2.83 1.94 0.38 1.61 1.11 -1.26 -5.02 119.66 115.60 3i9e s GLN 70 Ca 0.00 -2.15 0.24 0.00 0.01 0.00 0.00 55.36 53.46 3i9e s GLN 70 Cb 0.00 -1.28 1.34 0.00 -1.01 0.00 0.00 33.01 32.06 3i9e s GLN 70 CO 0.00 -0.23 1.50 1.55 0.01 0.00 0.00 175.29 178.12 3i9e n VAL 71 N -0.97 -0.34 0.29 1.09 3.14 -1.26 0.80 118.33 121.07 3i9e n VAL 71 Ca -0.08 1.85 0.14 0.00 -2.96 0.00 0.00 64.34 63.29 3i9e n VAL 71 Cb 0.67 -3.02 0.86 0.00 -1.06 0.00 0.00 33.84 31.29 3i9e n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3i9e h PRO 72 N 0.00 0.00 0.00 1.45 0.11 -2.04 -3.47 132.00 128.04 3i9e h PRO 72 Ca 0.82 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.93 3i9e h PRO 72 Cb 2.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.46 3i9e h PRO 72 CO -0.63 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 177.62 3i9e n GLY 73 N -1.11 0.42 3.90 -0.55 0.00 0.24 -5.00 105.19 103.10 3i9e n GLY 73 Ca -0.03 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 3i9e n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i9e s GLU 74 N 0.00 3.57 -0.30 1.61 2.12 -1.26 -4.22 118.70 120.22 3i9e s GLU 74 Ca 0.00 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.05 3i9e s GLU 74 Cb 0.00 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 3i9e s GLU 74 CO 0.00 0.53 0.17 0.96 -0.54 0.00 0.00 175.26 176.39 3i9e s ILE 75 N -1.56 4.99 0.06 -3.70 -0.00 -1.26 -5.05 121.20 114.67 3i9e s ILE 75 Ca 0.37 -0.11 -0.33 0.00 -0.00 0.00 0.00 60.65 60.59 3i9e s ILE 75 Cb -0.13 -3.45 -0.12 0.00 -0.00 0.00 0.00 42.46 38.77 3i9e s ILE 75 CO 0.24 0.16 1.81 0.29 -0.00 0.00 0.00 174.94 177.44 3i9e n LYS 76 N 5.03 2.47 -3.66 0.37 4.76 -1.26 -4.97 118.16 120.89 3i9e n LYS 76 Ca -0.14 0.90 -0.14 0.00 -2.87 0.00 0.00 58.31 56.06 3i9e n LYS 76 Cb 0.51 -2.76 -0.07 0.00 -1.84 0.00 0.00 35.03 30.87 3i9e n LYS 76 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3i9e s ARG 77 N 2.91 0.89 -0.01 1.97 1.70 -1.26 -5.13 118.95 120.02 3i9e s ARG 77 Ca 0.85 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 55.57 3i9e s ARG 77 Cb -0.59 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.13 3i9e s ARG 77 CO 0.42 -0.29 1.67 -1.25 -1.08 0.00 0.00 175.30 174.77 3i9e s PRO 78 N -2.05 4.19 -0.15 3.89 0.04 -1.26 -5.00 135.00 134.65 3i9e s PRO 78 Ca -0.08 2.26 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 3i9e s PRO 78 Cb -0.02 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 3i9e s PRO 78 CO 0.01 -0.80 0.25 1.03 0.04 0.00 0.00 177.00 177.53 3i9e s ARG 79 N 3.55 4.15 -0.41 4.56 0.52 -1.26 -5.04 118.95 125.03 3i9e s ARG 79 Ca 0.74 0.03 -0.08 0.00 -0.52 0.00 0.00 55.73 55.90 3i9e s ARG 79 Cb -0.36 -3.39 0.08 0.00 0.52 0.00 0.00 34.95 31.80 3i9e s ARG 79 CO 0.31 0.33 0.24 0.71 0.02 0.00 0.00 175.30 176.91 3i9e s TYR 80 N 0.22 3.34 0.13 -0.53 2.02 -1.26 -1.04 117.35 120.24 3i9e s TYR 80 Ca 0.15 -1.57 -0.23 0.00 -0.37 0.00 0.00 57.07 55.05 3i9e s TYR 80 Cb -0.13 -2.89 -0.07 0.00 -0.40 0.00 0.00 41.96 38.47 3i9e s TYR 80 CO 0.03 -0.84 0.71 -1.14 -1.57 0.00 0.00 175.55 172.74 3i9e s GLN 81 N 1.40 4.45 0.08 -0.62 0.74 0.35 -4.91 119.66 121.15 3i9e s GLN 81 Ca 0.03 1.02 -0.01 0.00 0.05 0.00 0.00 55.36 56.45 3i9e s GLN 81 Cb -0.23 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 3i9e s GLN 81 CO 0.02 0.59 0.25 0.20 -0.55 0.00 0.00 175.29 175.79 3i9e s GLY 82 N -1.10 2.17 -0.00 2.59 0.00 -1.26 -2.42 107.32 107.28 3i9e s GLY 82 Ca 0.34 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.28 3i9e s GLY 82 CO 0.24 -0.77 -0.08 0.54 0.00 0.00 0.00 173.10 173.03 3i9e s VAL 83 N -1.55 0.61 0.15 1.40 0.11 -0.39 -4.93 120.40 115.80 3i9e s VAL 83 Ca 0.36 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3i9e s VAL 83 Cb -0.13 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3i9e s VAL 83 CO 0.27 0.15 0.21 0.59 -3.33 0.00 0.00 175.10 172.99 3i9e n ASN 84 N 2.82 0.11 -0.13 3.54 5.03 -1.26 0.68 115.26 126.05 3i9e n ASN 84 Ca -0.14 -1.14 -0.23 0.00 0.87 0.00 0.00 54.58 53.94 3i9e n ASN 84 Cb 0.57 -0.15 -0.11 0.00 -1.02 0.00 0.00 39.78 39.07 3i9e n ASN 84 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3i9e n LEU 85 N 0.00 2.50 0.32 3.41 4.77 -0.93 -3.17 117.00 123.91 3i9e n LEU 85 Ca 0.03 0.09 0.19 0.00 -0.03 0.00 0.00 56.01 56.29 3i9e n LEU 85 Cb 0.10 -0.88 1.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i9e n LEU 85 CO 0.07 0.76 1.16 0.07 -1.33 0.00 0.00 177.39 178.12 3i9e h LYS 86 N -0.45 0.00 0.00 3.23 2.10 -1.85 1.22 116.57 120.83 3i9e h LYS 86 Ca -0.62 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.02 3i9e h LYS 86 Cb 1.77 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.10 3i9e h LYS 86 CO -0.23 0.00 -0.05 -0.44 -2.00 0.00 0.00 179.45 176.73 3i9e h ASP 87 N 0.00 0.00 0.83 7.07 3.32 -1.86 -3.38 116.42 122.40 3i9e h ASP 87 Ca 0.01 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.43 3i9e h ASP 87 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3i9e h ASP 87 CO -0.00 0.85 -0.29 0.00 -1.72 0.00 0.00 179.24 178.08 3i9e n LEU 88 N -4.66 0.38 -0.44 1.55 -0.00 -0.31 -3.80 117.00 109.72 3i9e n LEU 88 Ca -0.07 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 3i9e n LEU 88 Cb 0.32 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 3i9e n LEU 88 CO 0.22 0.02 0.09 0.00 -0.00 0.00 0.00 177.39 177.72 3i9e n ALA 89 N -1.58 1.55 -1.20 1.47 0.00 0.41 -3.72 120.51 117.44 3i9e n ALA 89 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i9e n ALA 89 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3i9e n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9e n ARG 90 N 0.24 0.00 -1.44 0.00 0.63 -1.25 -4.92 116.66 109.92 3i9e n ARG 90 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 3i9e n ARG 90 Cb 0.08 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.04 3i9e n ARG 90 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 3i9e n PHE 91 N 0.00 -0.09 -1.51 -0.14 -1.74 -1.24 -4.93 117.46 107.80 3i9e n PHE 91 Ca 0.00 0.41 0.07 0.00 -0.56 0.00 0.00 57.45 57.36 3i9e n PHE 91 Cb 0.00 -2.01 0.14 0.00 1.52 0.00 0.00 39.48 39.13 3i9e n PHE 91 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 3i9e n GLU 92 N -0.79 1.16 0.00 3.97 2.13 -1.26 -4.92 120.64 120.92 3i9e n GLU 92 Ca 0.12 -2.67 0.00 0.00 0.66 0.00 0.00 57.16 55.27 3i9e n GLU 92 Cb 0.48 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.88 3i9e n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9e n GLY 93 N -0.99 1.19 1.08 8.31 0.00 -1.26 -4.95 105.19 108.58 3i9e n GLY 93 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3i9e n GLY 93 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i9e n GLU 94 N 0.00 0.24 0.00 1.61 0.28 -1.26 -4.58 120.64 116.93 3i9e n GLU 94 Ca 0.00 -1.92 0.00 0.00 -0.16 0.00 0.00 57.16 55.08 3i9e n GLU 94 Cb 0.00 -0.38 0.00 0.00 1.43 0.00 0.00 31.44 32.49 3i9e n GLU 94 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3i9e n VAL 95 N 0.10 0.00 -3.64 3.84 0.31 -1.22 -4.33 118.33 113.38 3i9e n VAL 95 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 3i9e n VAL 95 Cb 0.96 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.82 3i9e n VAL 95 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i9e s THR 96 N 0.00 0.04 1.00 2.52 -4.23 -1.26 -2.06 115.64 111.65 3i9e s THR 96 Ca 0.00 -0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.01 3i9e s THR 96 Cb 0.00 -0.87 -0.13 0.00 1.34 0.00 0.00 72.50 72.85 3i9e s THR 96 CO 0.00 -0.17 -0.76 -2.65 -0.54 0.00 0.00 174.62 170.50 3i9e n PRO 97 N 0.81 -0.10 0.00 3.99 -0.02 -1.25 -1.88 135.00 136.55 3i9e n PRO 97 Ca -0.19 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3i9e n PRO 97 Cb 0.58 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 3i9e n PRO 97 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i9e n GLU 98 N 1.79 0.00 -0.31 -0.52 2.13 -1.26 -4.13 120.64 118.34 3i9e n GLU 98 Ca -0.01 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.97 3i9e n GLU 98 Cb 0.59 0.00 0.34 0.00 0.27 0.00 0.00 31.44 32.65 3i9e n GLU 98 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3i9e h LEU 99 N 0.00 0.26 0.52 4.31 5.85 -1.80 0.60 115.31 125.05 3i9e h LEU 99 Ca 0.00 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3i9e h LEU 99 Cb 0.00 0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.22 3i9e h LEU 99 CO 0.00 -0.09 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.69 3i9e h LEU 100 N 0.32 -0.59 -0.59 2.25 -0.00 -1.53 -3.02 115.31 112.15 3i9e h LEU 100 Ca 0.60 -0.05 0.11 0.00 -0.00 0.00 0.00 57.88 58.54 3i9e h LEU 100 Cb 1.23 0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 41.96 3i9e h LEU 100 CO -0.59 -0.30 0.14 1.62 -0.00 0.00 0.00 178.44 179.31 3i9e h VAL 101 N -0.88 0.67 0.00 1.22 3.04 0.62 -0.21 116.25 120.71 3i9e h VAL 101 Ca -0.07 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3i9e h VAL 101 Cb 0.60 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 3i9e h VAL 101 CO 0.12 0.05 0.00 0.54 -1.01 0.00 0.00 177.57 177.27 3i9e n ARG 102 N -5.11 0.27 0.00 4.17 1.74 0.19 -0.67 116.66 117.26 3i9e n ARG 102 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3i9e n ARG 102 Cb 0.30 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3i9e n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9e n ALA 103 N 0.72 0.11 -0.27 7.54 0.00 -0.10 -4.99 120.51 123.52 3i9e n ALA 103 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i9e n ALA 103 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3i9e n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 104 N -0.00 0.84 2.82 0.00 0.00 0.16 -5.07 105.19 103.94 3i9e n GLY 104 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 3i9e n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9e s LEU 105 N 0.00 1.17 0.00 0.99 1.02 -1.17 -4.99 118.68 115.70 3i9e s LEU 105 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.64 3i9e s LEU 105 Cb 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.52 3i9e s LEU 105 CO 0.00 -0.21 0.00 0.18 0.02 0.00 0.00 176.35 176.34 3i9e n LEU 106 N 5.00 0.00 0.00 1.79 4.77 -1.26 -1.13 117.00 126.18 3i9e n LEU 106 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3i9e n LEU 106 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3i9e n LEU 106 CO 0.14 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.49 3i9e n LYS 107 N 0.00 0.00 -0.10 3.23 4.01 -1.26 -4.90 118.16 119.14 3i9e n LYS 107 Ca 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i9e n LYS 107 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.53 3i9e n LYS 107 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3i9e n LYS 108 N 0.34 -0.06 -1.51 1.97 4.01 -1.26 -1.55 118.16 120.09 3i9e n LYS 108 Ca 0.00 0.39 -0.39 0.00 -0.51 0.00 0.00 58.31 57.80 3i9e n LYS 108 Cb 0.00 -0.58 -0.02 0.00 -0.51 0.00 0.00 35.03 33.92 3i9e n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i9e n GLY 109 N -1.12 4.54 3.49 0.72 0.00 -1.26 -4.86 105.19 106.70 3i9e n GLY 109 Ca 0.03 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 3i9e n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9e s TYR 110 N 1.20 -0.56 -0.01 1.61 2.02 -0.60 -4.96 117.35 116.05 3i9e s TYR 110 Ca 0.65 0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 58.02 3i9e s TYR 110 Cb 0.18 0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 42.18 3i9e s TYR 110 CO -0.07 -0.66 0.21 1.03 -1.57 0.00 0.00 175.55 174.49 3i9e s ARG 111 N -2.25 3.49 -0.12 -0.62 0.52 -0.20 -4.88 118.95 114.89 3i9e s ARG 111 Ca -0.04 -0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 54.75 3i9e s ARG 111 Cb -0.00 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 3i9e s ARG 111 CO -0.01 0.67 0.58 -1.17 0.02 0.00 0.00 175.30 175.39 3i9e s LEU 112 N -1.81 4.26 -0.32 2.53 1.98 -1.26 -0.50 118.68 123.56 3i9e s LEU 112 Ca 0.26 0.93 -0.01 0.00 -2.89 0.00 0.00 54.13 52.42 3i9e s LEU 112 Cb -0.13 -2.85 0.10 0.00 0.66 0.00 0.00 46.19 43.98 3i9e s LEU 112 CO 0.17 -0.10 0.12 -0.75 -1.89 0.00 0.00 176.35 173.90 3i9e s LYS 113 N 0.97 0.71 0.51 1.98 2.20 -1.02 -0.79 119.74 124.30 3i9e s LYS 113 Ca 0.30 -1.12 -0.20 0.00 -0.36 0.00 0.00 55.97 54.60 3i9e s LYS 113 Cb -0.16 -1.92 -0.07 0.00 -1.51 0.00 0.00 37.83 34.17 3i9e s LYS 113 CO 0.13 -1.01 1.07 0.96 -0.36 0.00 0.00 175.35 176.14 3i9e s ILE 114 N 1.53 3.55 0.00 5.43 -4.36 -1.06 -1.26 121.20 125.04 3i9e s ILE 114 Ca 0.11 0.95 0.00 0.00 -0.26 0.00 0.00 60.65 61.45 3i9e s ILE 114 Cb -0.18 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.15 3i9e s ILE 114 CO -0.23 -0.22 0.00 0.00 0.24 0.00 0.00 174.94 174.73 3i9e n LEU 115 N -1.16 0.00 0.00 0.37 -0.00 0.21 -2.83 117.00 113.59 3i9e n LEU 115 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.23 3i9e n LEU 115 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 3i9e n LEU 115 CO 0.41 0.00 -0.16 0.61 -0.00 0.00 0.00 177.39 178.25 3i9e n GLY 116 N 0.00 -1.45 3.89 1.47 0.00 -1.26 -2.18 105.19 105.66 3i9e n GLY 116 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 3i9e n GLY 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i9e s GLU 117 N -1.33 3.69 0.00 1.61 -1.05 -1.26 -4.55 118.70 115.81 3i9e s GLU 117 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 3i9e s GLU 117 Cb 0.00 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 3i9e s GLU 117 CO 0.00 0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.96 3i9e n GLY 118 N -0.30 -0.51 3.31 -3.83 0.00 -1.26 -3.02 105.19 99.57 3i9e n GLY 118 Ca -0.01 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 3i9e n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9e s GLU 119 N -1.84 2.69 -0.13 1.61 0.41 -1.26 -4.84 118.70 115.35 3i9e s GLU 119 Ca 0.00 -1.28 -0.39 0.00 -0.41 0.00 0.00 54.97 52.89 3i9e s GLU 119 Cb 0.00 -3.72 -0.16 0.00 -1.78 0.00 0.00 34.13 28.47 3i9e s GLU 119 CO 0.00 -0.82 1.56 0.00 -0.49 0.00 0.00 175.26 175.51 3i9e n ALA 120 N 4.93 -0.61 -2.09 5.21 0.00 -1.26 -4.91 120.51 121.79 3i9e n ALA 120 Ca -0.11 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 3i9e n ALA 120 Cb 0.44 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 3i9e n ALA 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i9e s LYS 121 N 2.20 3.77 -1.12 0.00 2.47 -1.26 -4.92 119.74 120.87 3i9e s LYS 121 Ca 0.93 0.57 -0.07 0.00 -1.56 0.00 0.00 55.97 55.83 3i9e s LYS 121 Cb -1.03 -2.30 -0.09 0.00 -1.46 0.00 0.00 37.83 32.95 3i9e s LYS 121 CO 0.58 -0.17 2.59 -0.35 0.16 0.00 0.00 175.35 178.16 3i9e n PRO 122 N -1.65 2.74 -4.27 4.03 -0.04 -1.25 -4.59 135.00 129.98 3i9e n PRO 122 Ca 0.03 -1.71 -0.15 0.00 -0.04 0.00 0.00 63.50 61.64 3i9e n PRO 122 Cb 0.54 -2.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 3i9e n PRO 122 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3i9e s LEU 123 N 0.12 1.62 -0.01 1.53 0.05 -1.25 -4.76 118.68 115.98 3i9e s LEU 123 Ca 0.54 -1.34 -0.28 0.00 0.05 0.00 0.00 54.13 53.10 3i9e s LEU 123 Cb 0.15 0.10 -0.03 0.00 -2.05 0.00 0.00 46.19 44.36 3i9e s LEU 123 CO -0.04 -0.73 0.91 -0.75 -0.55 0.00 0.00 176.35 175.19 3i9e s LYS 124 N -4.04 4.53 -0.33 1.48 2.20 -1.25 -3.77 119.74 118.56 3i9e s LYS 124 Ca 0.35 1.28 -0.01 0.00 -0.36 0.00 0.00 55.97 57.23 3i9e s LYS 124 Cb 0.07 -3.45 0.11 0.00 -1.51 0.00 0.00 37.83 33.05 3i9e s LYS 124 CO 0.11 -0.01 0.13 0.54 -0.36 0.00 0.00 175.35 175.76 3i9e s VAL 125 N 0.93 0.79 -0.18 4.02 0.11 -0.90 -3.41 120.40 121.76 3i9e s VAL 125 Ca 0.48 -1.52 -0.29 0.00 -2.93 0.00 0.00 61.98 57.72 3i9e s VAL 125 Cb -0.20 -1.59 -0.00 0.00 -1.53 0.00 0.00 36.38 33.05 3i9e s VAL 125 CO 0.25 -0.74 1.11 -0.69 -3.33 0.00 0.00 175.10 171.71 3i9e s VAL 126 N 1.45 4.55 0.12 2.04 1.01 -0.87 -3.34 120.40 125.35 3i9e s VAL 126 Ca 0.11 1.86 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 3i9e s VAL 126 Cb -0.19 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.02 3i9e s VAL 126 CO -0.21 -0.13 0.38 0.00 0.00 0.00 0.00 175.10 175.14 3i9e s ALA 127 N 3.08 -0.83 0.33 5.51 0.00 -0.76 -3.81 121.76 125.27 3i9e s ALA 127 Ca 0.48 -0.14 0.11 0.00 0.00 0.00 0.00 51.96 52.42 3i9e s ALA 127 Cb -0.18 0.68 0.56 0.00 0.00 0.00 0.00 23.12 24.18 3i9e s ALA 127 CO 0.11 -0.63 1.74 0.45 0.00 0.00 0.00 175.76 177.42 3i9e h HIS 128 N 2.41 0.03 -3.09 0.00 3.86 -1.26 -1.72 115.15 115.39 3i9e h HIS 128 Ca -0.34 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 58.82 3i9e h HIS 128 Cb 1.25 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.57 3i9e h HIS 128 CO 0.34 0.48 0.02 0.00 0.86 0.00 0.00 177.93 179.64 3i9e s ALA 129 N -3.99 -1.21 -0.02 2.45 0.00 -0.66 -4.40 121.76 113.94 3i9e s ALA 129 Ca -0.02 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3i9e s ALA 129 Cb 0.14 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.88 3i9e s ALA 129 CO 0.74 -0.62 -0.05 -0.06 0.00 0.00 0.00 175.76 175.78 3i9e s PHE 130 N -3.28 0.61 0.49 0.00 0.08 -1.26 -2.55 117.98 112.06 3i9e s PHE 130 Ca -0.01 -0.13 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 3i9e s PHE 130 Cb 0.00 -0.47 -0.07 0.00 -0.57 0.00 0.00 43.02 41.91 3i9e s PHE 130 CO -0.08 -0.08 1.39 0.45 -0.10 0.00 0.00 175.22 176.80 3i9e s SER 131 N 0.32 5.65 0.23 1.36 0.15 -1.13 -4.76 113.70 115.52 3i9e s SER 131 Ca -0.04 2.84 -0.07 0.00 0.70 0.00 0.00 55.95 59.38 3i9e s SER 131 Cb -0.08 -2.65 0.40 0.00 -1.71 0.00 0.00 66.02 61.98 3i9e s SER 131 CO -0.00 -1.32 1.68 0.50 1.20 0.00 0.00 173.24 175.30 3i9e h LYS 132 N 1.98 0.22 -0.02 5.44 3.11 -2.00 0.12 116.57 125.43 3i9e h LYS 132 Ca -0.51 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.32 3i9e h LYS 132 Cb 1.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.46 3i9e h LYS 132 CO 0.60 0.15 0.00 1.03 -2.81 0.00 0.00 179.45 178.42 3i9e h SER 133 N 0.23 0.02 -0.01 4.20 0.87 -1.98 -3.30 113.55 113.58 3i9e h SER 133 Ca 0.38 -0.27 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3i9e h SER 133 Cb 0.63 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3i9e h SER 133 CO -0.50 0.29 -0.35 0.00 -0.53 0.00 0.00 176.83 175.74 3i9e h ALA 134 N 0.74 0.98 0.04 6.23 0.00 -1.68 -2.91 119.26 122.65 3i9e h ALA 134 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3i9e h ALA 134 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3i9e h ALA 134 CO 0.00 0.61 -0.40 1.25 0.00 0.00 0.00 179.25 180.70 3i9e h LEU 135 N 0.42 -1.23 0.31 0.00 7.12 -1.07 -2.91 115.31 117.95 3i9e h LEU 135 Ca 0.05 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.19 3i9e h LEU 135 Cb 0.80 0.46 -0.02 0.00 -0.53 0.00 0.00 40.66 41.37 3i9e h LEU 135 CO 0.07 -0.40 -0.34 -0.33 -0.13 0.00 0.00 178.44 177.30 3i9e h GLU 136 N -0.53 -0.66 -0.65 1.25 5.08 -1.67 -1.35 114.58 116.04 3i9e h GLU 136 Ca 0.00 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3i9e h GLU 136 Cb 0.55 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 3i9e h GLU 136 CO -0.25 -0.44 -0.33 1.63 -1.00 0.00 0.00 179.01 178.62 3i9e n LYS 137 N -5.45 -0.23 0.12 2.33 5.02 -1.10 0.13 118.16 118.99 3i9e n LYS 137 Ca -0.09 1.00 0.05 0.00 -2.02 0.00 0.00 58.31 57.24 3i9e n LYS 137 Cb 0.35 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 3i9e n LYS 137 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 3i9e h LEU 138 N 0.00 0.00 -2.76 -0.35 8.10 -1.52 -3.23 115.31 115.55 3i9e h LEU 138 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.15 3i9e h LEU 138 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 3i9e h LEU 138 CO -0.63 0.36 0.00 1.17 -4.11 0.00 0.00 178.44 175.23 3i9e n LYS 139 N -3.05 0.41 -2.70 0.17 4.81 0.34 0.17 118.16 118.31 3i9e n LYS 139 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.38 3i9e n LYS 139 Cb 0.70 -1.30 0.11 0.00 0.02 0.00 0.00 35.03 34.56 3i9e n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i9e n ALA 140 N 1.27 2.13 0.00 3.14 0.00 -1.13 -4.85 120.51 121.07 3i9e n ALA 140 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.96 3i9e n ALA 140 Cb 0.20 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3i9e n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9e n ALA 141 N -0.88 0.00 -4.03 0.00 0.00 0.13 -5.04 120.51 110.69 3i9e n ALA 141 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.42 3i9e n ALA 141 Cb 0.85 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.31 3i9e n ALA 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i9e s GLY 142 N 0.00 -0.21 -0.01 0.00 0.00 0.59 -3.81 107.32 103.88 3i9e s GLY 142 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 3i9e s GLY 142 CO 0.00 6.74 0.09 -0.32 0.00 0.00 0.00 173.10 179.61 3i9e s GLY 143 N -3.94 2.03 -0.13 0.20 0.00 -1.25 -4.21 107.32 100.03 3i9e s GLY 143 Ca 0.32 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 3i9e s GLY 143 CO -0.03 -0.72 0.04 -1.83 0.00 0.00 0.00 173.10 170.57 3i9e s GLU 144 N -1.70 0.42 0.10 2.90 4.04 -1.26 -2.11 118.70 121.09 3i9e s GLU 144 Ca 0.23 -0.07 -0.14 0.00 0.04 0.00 0.00 54.97 55.03 3i9e s GLU 144 Cb -0.12 -1.46 -0.06 0.00 0.02 0.00 0.00 34.13 32.51 3i9e s GLU 144 CO 0.14 -0.49 0.49 -2.14 -1.84 0.00 0.00 175.26 171.42 3i9e s PRO 145 N 2.00 3.94 0.02 -4.83 0.02 -1.21 -4.98 135.00 129.96 3i9e s PRO 145 Ca 0.02 0.43 -0.01 0.00 0.02 0.00 0.00 61.00 61.46 3i9e s PRO 145 Cb -0.15 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3i9e s PRO 145 CO -0.07 0.55 0.19 0.54 -0.33 0.00 0.00 177.00 177.89 3i9e s VAL 146 N -1.35 5.40 0.21 3.83 0.11 -1.26 -1.83 120.40 125.51 3i9e s VAL 146 Ca 0.33 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 3i9e s VAL 146 Cb -0.16 -3.58 0.03 0.00 -1.53 0.00 0.00 36.38 31.14 3i9e s VAL 146 CO 0.18 0.23 0.24 0.18 -3.33 0.00 0.00 175.10 172.61 3i9e n LEU 147 N 0.62 0.00 0.00 2.54 7.99 -0.65 -4.87 117.00 122.64 3i9e n LEU 147 Ca -0.08 -0.95 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 3i9e n LEU 147 Cb 0.52 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 3i9e n LEU 147 CO 0.48 -0.51 0.00 0.18 -1.51 0.00 0.00 177.39 176.03 3i9e n LEU 148 N 0.00 0.00 -3.46 2.23 4.77 -1.26 -4.93 117.00 114.36 3i9e n LEU 148 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 3i9e n LEU 148 Cb 0.22 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 3i9e n LEU 148 CO 0.14 0.00 -0.32 -1.61 -1.33 0.00 0.00 177.39 174.27 3i9e s GLU 149 N -0.04 0.57 0.00 3.23 2.02 -1.26 -5.25 118.70 117.97 3i9e s GLU 149 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.61 3i9e s GLU 149 Cb 0.00 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.93 3i9e s GLU 149 CO 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 175.26 174.06