#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e s GLU 2 N 0.00 2.06 -0.25 0.03 2.12 -1.26 -5.10 118.70 116.31 1a5e s GLU 2 Ca 0.00 -0.58 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1a5e s GLU 2 Cb 0.00 -1.67 -0.00 0.00 0.26 0.00 0.00 34.13 32.72 1a5e s GLU 2 CO 0.00 0.12 1.21 -1.25 -0.54 0.00 0.00 175.26 174.80 1a5e s PRO 3 N 0.44 4.10 0.19 4.30 0.04 -1.26 -5.03 135.00 137.79 1a5e s PRO 3 Ca -0.13 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.36 1a5e s PRO 3 Cb -0.15 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 1a5e s PRO 3 CO 0.05 -0.87 0.04 0.00 0.04 0.00 0.00 177.00 176.25 1a5e s ALA 4 N 3.78 3.28 0.00 8.56 0.00 -1.26 -5.13 121.76 130.99 1a5e s ALA 4 Ca 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1a5e s ALA 4 Cb -0.17 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1a5e s ALA 4 CO 0.16 0.43 0.00 0.00 0.00 0.00 0.00 175.76 176.35 1a5e n ALA 5 N -0.37 0.00 -1.43 0.00 0.00 -1.26 -5.02 120.51 112.43 1a5e n ALA 5 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 1a5e n ALA 5 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1a5e n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 6 N 0.00 4.08 4.92 0.00 0.00 -1.26 -4.92 105.19 108.02 1a5e n GLY 6 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.59 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5e n SER 7 N 5.06 -3.50 -3.80 1.61 3.41 -1.26 -4.79 113.62 110.36 1a5e n SER 7 Ca 0.62 0.27 -0.24 0.00 -0.26 0.00 0.00 58.87 59.25 1a5e n SER 7 Cb 0.31 -0.83 0.16 0.00 -0.26 0.00 0.00 64.21 63.59 1a5e n SER 7 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5e n SER 8 N -3.79 0.36 -3.05 4.04 3.41 -1.26 -5.05 113.62 108.27 1a5e n SER 8 Ca 0.00 -1.56 -0.05 0.00 -0.26 0.00 0.00 58.87 57.00 1a5e n SER 8 Cb 0.11 -0.81 0.05 0.00 -0.26 0.00 0.00 64.21 63.31 1a5e n SER 8 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1a5e n MET 9 N -3.24 -2.12 -1.67 4.33 2.81 -1.26 -4.71 117.12 111.25 1a5e n MET 9 Ca 0.14 -0.25 -0.56 0.00 -1.81 0.00 0.00 57.70 55.22 1a5e n MET 9 Cb 0.51 -0.34 -0.07 0.00 -0.71 0.00 0.00 33.22 32.60 1a5e n MET 9 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1a5e n GLU 10 N -2.42 1.10 -1.37 0.03 1.02 -1.26 -4.93 120.64 112.82 1a5e n GLU 10 Ca 0.02 0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 57.28 1a5e n GLU 10 Cb 0.10 -2.07 0.22 0.00 -0.02 0.00 0.00 31.44 29.68 1a5e n GLU 10 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a5e n PRO 11 N 4.45 -2.28 -0.49 3.49 -0.04 -1.26 -5.04 135.00 133.83 1a5e n PRO 11 Ca 0.24 -1.82 -0.23 0.00 -0.04 0.00 0.00 63.50 61.65 1a5e n PRO 11 Cb 0.14 -1.47 0.21 0.00 -0.04 0.00 0.00 33.50 32.34 1a5e n PRO 11 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a5e n SER 12 N -4.38 -2.72 -3.08 3.54 2.88 -1.26 -4.88 113.62 103.72 1a5e n SER 12 Ca 0.15 -0.84 -0.36 0.00 -1.33 0.00 0.00 58.87 56.49 1a5e n SER 12 Cb 0.56 -0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e n ALA 13 N -4.78 6.53 -0.12 -1.46 0.00 -1.26 -4.68 120.51 114.75 1a5e n ALA 13 Ca -0.15 -3.81 0.01 0.00 0.00 0.00 0.00 53.44 49.49 1a5e n ALA 13 Cb 0.45 -2.35 0.29 0.00 0.00 0.00 0.00 19.45 17.84 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5e h ASP 14 N 3.75 0.70 -1.26 0.00 3.32 -1.97 -2.58 116.42 118.38 1a5e h ASP 14 Ca 0.55 -0.05 0.41 0.00 0.02 0.00 0.00 57.03 57.96 1a5e h ASP 14 Cb 0.41 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.66 1a5e h ASP 14 CO 1.21 0.56 0.81 -0.25 -1.72 0.00 0.00 179.24 179.85 1a5e h TRP 15 N 0.79 0.56 0.00 4.55 2.91 -1.99 -2.20 115.95 120.58 1a5e h TRP 15 Ca 0.20 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.25 1a5e h TRP 15 Cb 0.02 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 1a5e h TRP 15 CO 0.00 -0.18 0.00 -0.11 -1.03 0.00 0.00 178.44 177.13 1a5e n LEU 16 N -4.71 0.00 -0.17 0.65 7.94 -0.97 -1.56 117.00 118.17 1a5e n LEU 16 Ca 0.35 0.14 -0.04 0.00 -1.11 0.00 0.00 56.01 55.35 1a5e n LEU 16 Cb 1.34 0.00 0.02 0.00 0.53 0.00 0.00 43.42 45.31 1a5e n LEU 16 CO 0.20 0.00 0.67 0.00 -1.11 0.00 0.00 177.39 177.16 1a5e h ALA 17 N -2.36 0.08 -0.85 1.96 0.00 -1.74 -2.51 119.26 113.83 1a5e h ALA 17 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1a5e h ALA 17 Cb 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1a5e h ALA 17 CO 0.00 -0.60 -0.53 1.79 0.00 0.00 0.00 179.25 179.91 1a5e h THR 18 N -0.14 0.00 0.04 0.00 1.35 -1.42 1.26 112.91 114.00 1a5e h THR 18 Ca 0.23 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.12 1a5e h THR 18 Cb 0.51 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.89 1a5e h THR 18 CO -0.61 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 174.44 1a5e h ALA 19 N 0.30 -0.32 -0.70 6.62 0.00 -0.87 1.09 119.26 125.38 1a5e h ALA 19 Ca 0.14 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 19 Cb 0.39 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1a5e h ALA 19 CO -0.82 -0.73 0.33 0.00 0.00 0.00 0.00 179.25 178.04 1a5e h ALA 20 N 0.46 0.96 0.00 0.00 0.00 -0.74 0.27 119.26 120.21 1a5e h ALA 20 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a5e h ALA 20 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a5e h ALA 20 CO -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1a5e h ALA 21 N 1.43 1.00 -0.56 0.00 0.00 0.25 1.53 119.26 122.91 1a5e h ALA 21 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1a5e h ALA 21 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a5e h ALA 21 CO -0.28 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 176.84 1a5e n ARG 22 N -2.72 4.81 -3.57 0.00 0.63 0.37 -3.89 116.66 112.28 1a5e n ARG 22 Ca 0.02 -3.15 -0.21 0.00 -0.92 0.00 0.00 57.85 53.59 1a5e n ARG 22 Cb 0.35 -2.25 0.05 0.00 0.45 0.00 0.00 32.46 31.06 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a5e n GLY 23 N 0.57 -0.59 2.81 5.14 0.00 -0.71 -4.97 105.19 107.43 1a5e n GLY 23 Ca 0.28 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1a5e n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 24 N -5.56 1.15 0.01 1.61 1.81 -0.37 -4.97 118.95 112.63 1a5e s ARG 24 Ca 0.17 -1.65 -0.20 0.00 -1.72 0.00 0.00 55.73 52.33 1a5e s ARG 24 Cb -0.04 -2.47 -0.21 0.00 -0.45 0.00 0.00 34.95 31.78 1a5e s ARG 24 CO 0.79 -1.04 1.15 0.28 -0.68 0.00 0.00 175.30 175.81 1a5e h VAL 25 N 6.07 1.41 -0.35 3.52 2.07 -1.93 -3.18 116.25 123.86 1a5e h VAL 25 Ca -0.07 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 1a5e h VAL 25 Cb 0.98 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1a5e h VAL 25 CO 0.50 0.56 0.14 -0.33 0.02 0.00 0.00 177.57 178.47 1a5e h GLU 26 N -0.06 0.53 -0.69 1.57 5.08 -1.98 0.13 114.58 119.15 1a5e h GLU 26 Ca -0.05 -0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1a5e h GLU 26 Cb 1.18 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 1a5e h GLU 26 CO 0.10 0.51 0.29 0.93 -1.00 0.00 0.00 179.01 179.84 1a5e h GLU 27 N 0.42 0.45 0.00 2.33 5.08 -1.98 -1.10 114.58 119.79 1a5e h GLU 27 Ca 0.12 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1a5e h GLU 27 Cb 0.18 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1a5e h GLU 27 CO -0.01 0.30 -0.36 0.28 -1.00 0.00 0.00 179.01 178.22 1a5e h VAL 28 N 0.47 1.52 -0.78 3.13 2.07 -1.49 -2.28 116.25 118.89 1a5e h VAL 28 Ca 0.36 -2.00 0.18 0.00 0.82 0.00 0.00 66.70 66.05 1a5e h VAL 28 Cb 0.48 2.74 -0.11 0.00 -1.52 0.00 0.00 31.29 32.87 1a5e h VAL 28 CO -0.34 0.56 0.24 0.03 0.02 0.00 0.00 177.57 178.08 1a5e h ARG 29 N -0.39 0.30 -0.01 1.57 -0.00 -0.30 0.10 114.38 115.64 1a5e h ARG 29 Ca -0.05 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.98 59.22 1a5e h ARG 29 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.00 1a5e h ARG 29 CO 0.07 0.20 -0.84 0.00 0.00 0.00 0.00 179.97 179.40 1a5e h ALA 30 N 1.64 0.54 0.21 0.04 0.00 -1.28 -2.97 119.26 117.45 1a5e h ALA 30 Ca 0.45 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1a5e h ALA 30 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1a5e h ALA 30 CO -0.51 0.86 -0.10 -0.07 0.00 0.00 0.00 179.25 179.42 1a5e h LEU 31 N 0.15 -0.24 -1.64 0.00 3.38 -0.28 -2.17 115.31 114.52 1a5e h LEU 31 Ca -0.04 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.26 1a5e h LEU 31 Cb 1.45 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 1a5e h LEU 31 CO 0.13 -0.13 0.79 -0.07 0.09 0.00 0.00 178.44 179.25 1a5e h LEU 32 N -0.37 0.23 -1.09 1.67 3.38 -1.14 1.01 115.31 119.00 1a5e h LEU 32 Ca -0.03 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1a5e h LEU 32 Cb 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1a5e h LEU 32 CO 0.05 0.01 -0.43 -0.33 0.09 0.00 0.00 178.44 177.83 1a5e h GLU 33 N 0.19 0.04 -0.00 1.13 4.39 -1.43 -2.16 114.58 116.74 1a5e h GLU 33 Ca 0.62 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1a5e h GLU 33 Cb 2.02 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1a5e h GLU 33 CO -0.19 0.47 -0.03 0.00 -1.16 0.00 0.00 179.01 178.09 1a5e n ALA 34 N -2.46 2.52 0.00 3.43 0.00 0.35 -4.85 120.51 119.50 1a5e n ALA 34 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1a5e n ALA 34 Cb 0.46 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1a5e n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 35 N 1.34 1.91 3.50 0.00 0.00 -0.81 -5.10 105.19 106.03 1a5e n GLY 35 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 36 N -0.44 -2.21 -2.70 4.61 0.00 -1.04 -4.90 120.51 113.83 1a5e n ALA 36 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 1a5e n ALA 36 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 1a5e n ALA 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1a5e s LEU 37 N -3.93 4.30 0.28 0.00 2.96 -1.26 -4.87 118.68 116.16 1a5e s LEU 37 Ca 0.62 1.57 0.11 0.00 -0.22 0.00 0.00 54.13 56.21 1a5e s LEU 37 Cb -0.21 -3.54 0.39 0.00 0.50 0.00 0.00 46.19 43.32 1a5e s LEU 37 CO 0.64 -0.36 1.62 1.55 -1.32 0.00 0.00 176.35 178.48 1a5e h PRO 38 N 6.98 0.00 -2.64 0.98 0.13 -1.89 -3.37 132.00 132.18 1a5e h PRO 38 Ca -0.35 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.18 1a5e h PRO 38 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.91 1a5e h PRO 38 CO 0.81 0.59 -0.83 -0.80 -0.23 0.00 0.00 178.00 177.54 1a5e s ASN 39 N -6.80 2.71 -0.18 1.44 0.02 -1.25 -3.69 114.94 107.18 1a5e s ASN 39 Ca -0.01 -3.26 -0.12 0.00 -1.02 0.00 0.00 52.86 48.44 1a5e s ASN 39 Cb 0.12 -0.86 -0.05 0.00 0.02 0.00 0.00 41.25 40.49 1a5e s ASN 39 CO 0.75 -0.15 0.23 0.00 0.02 0.00 0.00 177.10 177.95 1a5e s ALA 40 N -0.37 3.62 -0.85 0.60 0.00 -1.26 -5.01 121.76 118.49 1a5e s ALA 40 Ca 0.29 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 1a5e s ALA 40 Cb -0.02 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1a5e s ALA 40 CO -0.17 0.07 1.72 -1.25 0.00 0.00 0.00 175.76 176.13 1a5e s PRO 41 N 0.52 2.91 0.00 0.00 0.04 -1.26 -4.72 135.00 132.49 1a5e s PRO 41 Ca 0.13 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1a5e s PRO 41 Cb -0.12 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.54 1a5e s PRO 41 CO 0.02 -2.79 0.00 0.09 0.04 0.00 0.00 177.00 174.36 1a5e n ASN 42 N 11.86 -1.02 -1.04 6.66 4.13 -1.25 -4.94 115.26 129.66 1a5e n ASN 42 Ca 0.29 -0.26 0.12 0.00 1.68 0.00 0.00 54.58 56.41 1a5e n ASN 42 Cb 0.49 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.89 1a5e n ASN 42 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1a5e n SER 43 N -2.31 3.21 -1.54 6.41 2.88 -1.26 -4.24 113.62 116.76 1a5e n SER 43 Ca 0.00 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 1a5e n SER 43 Cb 0.00 -0.13 0.29 0.00 -0.75 0.00 0.00 64.21 63.62 1a5e n SER 43 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1a5e n TYR 44 N 1.39 1.78 -1.78 0.66 4.01 -1.26 -4.90 117.16 117.07 1a5e n TYR 44 Ca 0.17 -1.10 -0.14 0.00 -0.16 0.00 0.00 57.90 56.67 1a5e n TYR 44 Cb 0.59 -0.53 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5e n GLY 45 N -0.29 0.69 0.00 2.72 0.00 -1.26 -4.89 105.19 102.15 1a5e n GLY 45 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1a5e n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 46 N -2.26 2.47 -3.01 1.61 1.74 -1.26 -4.72 116.66 111.23 1a5e n ARG 46 Ca -0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.84 1a5e n ARG 46 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.93 1a5e n ARG 46 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1a5e n ARG 47 N 0.00 0.19 -1.03 5.56 3.00 -1.26 -3.88 116.66 119.24 1a5e n ARG 47 Ca 0.00 -1.50 -0.31 0.00 -0.00 0.00 0.00 57.85 56.04 1a5e n ARG 47 Cb 0.00 1.23 0.13 0.00 0.00 0.00 0.00 32.46 33.82 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1a5e s PRO 48 N -2.61 1.61 0.00 -0.14 0.04 -1.26 -3.22 135.00 129.41 1a5e s PRO 48 Ca 0.18 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1a5e s PRO 48 Cb 0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1a5e s PRO 48 CO 0.13 -2.13 0.00 -0.89 0.04 0.00 0.00 177.00 174.15 1a5e n ILE 49 N -3.86 0.00 0.28 0.56 5.41 -1.26 -4.08 119.36 116.41 1a5e n ILE 49 Ca 0.10 0.00 0.15 0.00 1.00 0.00 0.00 62.75 64.00 1a5e n ILE 49 Cb 0.53 0.00 0.72 0.00 -0.71 0.00 0.00 39.64 40.18 1a5e n ILE 49 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1a5e h GLN 50 N 0.00 0.00 0.00 0.38 4.15 -1.86 0.10 115.11 117.88 1a5e h GLN 50 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1a5e h GLN 50 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1a5e h GLN 50 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 178.83 178.45 1a5e n VAL 51 N -3.01 0.73 -1.27 2.39 3.14 -1.20 -4.82 118.33 114.28 1a5e n VAL 51 Ca 0.00 -0.73 -0.31 0.00 -2.96 0.00 0.00 64.34 60.34 1a5e n VAL 51 Cb 0.50 0.64 0.09 0.00 -1.06 0.00 0.00 33.84 34.02 1a5e n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s MET 52 N -0.73 2.25 0.61 1.45 0.23 0.35 -4.03 119.30 119.44 1a5e s MET 52 Ca 0.00 1.19 0.27 0.00 -1.03 0.00 0.00 55.69 56.11 1a5e s MET 52 Cb 0.00 -1.90 1.18 0.00 -1.53 0.00 0.00 34.83 32.59 1a5e s MET 52 CO 0.00 -1.65 1.60 1.98 -2.03 0.00 0.00 175.02 174.93 1a5e h MET 53 N -1.09 0.00 -0.34 3.16 4.05 0.21 -3.44 114.93 117.48 1a5e h MET 53 Ca -0.44 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 58.84 1a5e h MET 53 Cb 1.23 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.97 1a5e h MET 53 CO 0.51 0.00 -0.13 -1.33 0.23 0.00 0.00 176.91 176.19 1a5e n MET 54 N -3.37 -1.36 -0.29 0.39 2.81 -1.26 -4.79 117.12 109.25 1a5e n MET 54 Ca 0.13 0.69 0.07 0.00 -1.81 0.00 0.00 57.70 56.78 1a5e n MET 54 Cb 1.02 -4.86 0.19 0.00 -0.71 0.00 0.00 33.22 28.86 1a5e n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5e n GLY 55 N -0.39 3.39 2.74 3.03 0.00 -1.26 -4.79 105.19 107.90 1a5e n GLY 55 Ca -0.07 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1a5e n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5e s SER 56 N -1.45 0.66 0.63 1.61 0.01 -1.26 -4.98 113.70 108.91 1a5e s SER 56 Ca 0.31 -1.79 0.30 0.00 1.31 0.00 0.00 55.95 56.07 1a5e s SER 56 Cb 0.22 0.69 1.59 0.00 0.21 0.00 0.00 66.02 68.72 1a5e s SER 56 CO 0.12 -0.21 1.94 0.00 0.41 0.00 0.00 173.24 175.50 1a5e h ALA 57 N 6.55 1.72 -0.53 1.44 0.00 -1.93 0.87 119.26 127.38 1a5e h ALA 57 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a5e h ALA 57 Cb 1.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1a5e h ALA 57 CO 0.19 -0.47 0.33 0.00 0.00 0.00 0.00 179.25 179.31 1a5e h ARG 58 N 0.00 0.70 -0.11 0.00 3.08 -1.94 -2.39 114.38 113.72 1a5e h ARG 58 Ca 0.09 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1a5e h ARG 58 Cb 0.83 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1a5e h ARG 58 CO -0.00 0.48 0.06 0.28 -1.07 0.00 0.00 179.97 179.72 1a5e h VAL 59 N 0.72 1.00 0.06 2.04 2.07 -1.20 -2.25 116.25 118.69 1a5e h VAL 59 Ca 0.19 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1a5e h VAL 59 Cb -0.06 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1a5e h VAL 59 CO -0.04 0.02 -0.32 0.00 0.02 0.00 0.00 177.57 177.25 1a5e h ALA 60 N 1.05 -0.51 -0.93 1.67 0.00 -1.55 0.11 119.26 119.11 1a5e h ALA 60 Ca 0.04 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.12 1a5e h ALA 60 Cb 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1a5e h ALA 60 CO -0.03 -0.85 0.49 1.49 0.00 0.00 0.00 179.25 180.35 1a5e h GLU 61 N -0.51 0.55 0.40 0.00 4.22 -1.31 2.02 114.58 119.96 1a5e h GLU 61 Ca 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1a5e h GLU 61 Cb 0.57 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1a5e h GLU 61 CO -0.23 0.36 -0.19 1.25 -2.18 0.00 0.00 179.01 178.02 1a5e h LEU 62 N 0.57 -0.46 -0.58 1.64 5.85 -0.68 -1.75 115.31 119.90 1a5e h LEU 62 Ca 0.56 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 59.09 1a5e h LEU 62 Cb 0.97 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1a5e h LEU 62 CO -0.45 -0.04 0.05 -0.07 -0.34 0.00 0.00 178.44 177.59 1a5e h LEU 63 N -0.99 0.96 0.44 2.25 3.38 -0.24 -2.54 115.31 118.58 1a5e h LEU 63 Ca -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1a5e h LEU 63 Cb 0.54 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a5e h LEU 63 CO 0.09 1.01 -0.23 0.25 0.09 0.00 0.00 178.44 179.65 1a5e h LEU 64 N 0.89 -0.55 -1.96 1.67 6.46 0.32 0.78 115.31 122.91 1a5e h LEU 64 Ca 0.17 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.05 1a5e h LEU 64 Cb 0.49 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1a5e h LEU 64 CO 0.02 -0.37 0.43 0.17 -0.62 0.00 0.00 178.44 178.06 1a5e h LEU 65 N -0.61 0.00 0.20 2.25 8.10 -1.39 0.72 115.31 124.58 1a5e h LEU 65 Ca -0.06 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.65 1a5e h LEU 65 Cb 0.48 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.72 1a5e h LEU 65 CO 0.09 0.00 -1.24 0.45 -4.11 0.00 0.00 178.44 173.63 1a5e h HIS 66 N 0.00 0.77 0.00 0.17 3.86 -0.96 -3.48 115.15 115.51 1a5e h HIS 66 Ca 0.15 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1a5e h HIS 66 Cb 1.00 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1a5e h HIS 66 CO 0.00 1.48 0.00 0.41 0.86 0.00 0.00 177.93 180.68 1a5e n GLY 67 N 1.71 0.07 0.00 2.45 0.00 0.22 -4.85 105.19 104.79 1a5e n GLY 67 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1a5e n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 68 N 0.00 0.00 -2.82 4.61 0.00 0.17 -3.91 120.51 118.57 1a5e n ALA 68 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1a5e n ALA 68 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1a5e n ALA 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a5e n GLU 69 N 0.00 3.19 0.20 0.00 4.07 -1.26 -4.80 120.64 122.04 1a5e n GLU 69 Ca 0.00 -4.70 0.07 0.00 -0.06 0.00 0.00 57.16 52.47 1a5e n GLU 69 Cb 0.00 -2.21 0.37 0.00 -0.06 0.00 0.00 31.44 29.53 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1a5e h PRO 70 N 2.87 0.00 0.00 5.31 0.13 -1.88 -3.40 132.00 135.03 1a5e h PRO 70 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1a5e h PRO 70 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1a5e h PRO 70 CO 0.81 0.33 0.00 0.09 -0.23 0.00 0.00 178.00 179.00 1a5e n ASN 71 N -3.49 0.00 -4.26 1.44 3.02 -1.18 -3.97 115.26 106.82 1a5e n ASN 71 Ca -0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1a5e n ASN 71 Cb 0.49 -0.16 0.11 0.00 -0.61 0.00 0.00 39.78 39.61 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5e n ALA 73 N -3.54 0.00 -3.27 0.00 0.00 -1.26 -4.51 120.51 107.93 1a5e n ALA 73 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 1a5e n ALA 73 Cb 0.58 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.86 1a5e n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a5e s ASP 74 N 1.03 2.91 0.00 0.00 -1.08 -1.25 -4.92 116.67 113.36 1a5e s ASP 74 Ca 0.00 -0.53 0.17 0.00 -0.52 0.00 0.00 52.55 51.67 1a5e s ASP 74 Cb 0.00 -1.33 0.77 0.00 -1.46 0.00 0.00 42.92 40.90 1a5e s ASP 74 CO 0.00 0.14 1.51 -0.81 0.52 0.00 0.00 175.17 176.53 1a5e n PRO 75 N 3.58 0.11 -0.06 4.34 -0.04 -1.26 0.15 135.00 141.82 1a5e n PRO 75 Ca -0.20 0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 1a5e n PRO 75 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 1a5e n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e h ALA 76 N 2.67 0.01 0.00 0.55 0.00 -1.94 -3.40 119.26 117.15 1a5e h ALA 76 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1a5e h ALA 76 Cb 0.22 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 1a5e h ALA 76 CO 0.00 0.06 -0.61 2.41 0.00 0.00 0.00 179.25 181.11 1a5e n THR 77 N -4.56 0.54 -2.81 0.00 -1.04 -1.19 -4.92 114.28 100.29 1a5e n THR 77 Ca -0.11 -1.05 -0.08 0.00 -2.04 0.00 0.00 64.05 60.77 1a5e n THR 77 Cb 0.51 0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 69.48 1a5e n THR 77 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a5e n LEU 78 N -0.18 -0.33 -4.57 -4.42 4.77 0.40 -3.23 117.00 109.45 1a5e n LEU 78 Ca 0.07 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 1a5e n LEU 78 Cb 0.84 -1.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 1a5e n LEU 78 CO -0.02 0.01 1.35 -0.89 -1.33 0.00 0.00 177.39 176.51 1a5e s THR 79 N -2.29 3.38 0.97 -5.08 2.01 -1.24 -4.46 115.64 108.92 1a5e s THR 79 Ca 0.13 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.57 1a5e s THR 79 Cb -0.08 -4.02 0.17 0.00 0.01 0.00 0.00 72.50 68.59 1a5e s THR 79 CO 0.16 -0.75 1.09 -0.60 -0.69 0.00 0.00 174.62 173.83 1a5e s ARG 80 N 7.26 0.70 0.00 4.92 6.06 -1.26 -3.91 118.95 132.72 1a5e s ARG 80 Ca 0.74 0.64 0.21 0.00 -2.50 0.00 0.00 55.73 54.82 1a5e s ARG 80 Cb -0.06 -1.76 1.16 0.00 0.06 0.00 0.00 34.95 34.36 1a5e s ARG 80 CO 0.06 -2.58 1.65 -0.35 -2.50 0.00 0.00 175.30 171.58 1a5e n PRO 81 N -4.09 0.49 0.12 5.12 -0.04 -1.26 -2.92 135.00 132.42 1a5e n PRO 81 Ca 0.06 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1a5e n PRO 81 Cb 0.56 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1a5e n PRO 81 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a5e h VAL 82 N 0.00 1.23 -0.10 0.52 2.07 -1.88 -3.21 116.25 114.89 1a5e h VAL 82 Ca 0.00 -2.56 -0.23 0.00 0.82 0.00 0.00 66.70 64.72 1a5e h VAL 82 Cb 0.09 2.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1a5e h VAL 82 CO 0.00 0.67 -0.85 0.45 0.02 0.00 0.00 177.57 177.85 1a5e h HIS 83 N 0.00 1.01 0.21 1.57 3.86 -1.85 -3.01 115.15 116.93 1a5e h HIS 83 Ca -0.01 -0.47 0.01 0.00 -1.16 0.00 0.00 60.37 58.74 1a5e h HIS 83 Cb 1.44 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.73 1a5e h HIS 83 CO 0.00 1.30 -0.33 -0.44 0.86 0.00 0.00 177.93 179.32 1a5e h ASP 84 N 0.47 -0.94 0.46 2.45 3.32 -1.71 0.98 116.42 121.44 1a5e h ASP 84 Ca -0.07 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1a5e h ASP 84 Cb 1.48 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 1a5e h ASP 84 CO 0.17 -0.44 -0.36 0.00 -1.72 0.00 0.00 179.24 176.89 1a5e h ALA 85 N -0.04 -1.10 -0.09 3.45 0.00 -1.63 -1.34 119.26 118.50 1a5e h ALA 85 Ca 0.01 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1a5e h ALA 85 Cb 0.61 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1a5e h ALA 85 CO -0.14 -1.10 -0.28 0.00 0.00 0.00 0.00 179.25 177.74 1a5e h ALA 86 N -1.27 -0.31 -1.01 0.00 0.00 -1.46 0.17 119.26 115.37 1a5e h ALA 86 Ca -0.06 0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.14 1a5e h ALA 86 Cb 0.65 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 1a5e h ALA 86 CO 0.01 -0.76 0.60 -0.09 0.00 0.00 0.00 179.25 179.02 1a5e h ARG 87 N -0.37 0.49 -0.52 0.00 9.65 0.11 1.36 114.38 125.09 1a5e h ARG 87 Ca 0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1a5e h ARG 87 Cb 0.50 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1a5e h ARG 87 CO -0.30 0.32 0.00 0.39 2.80 0.00 0.00 179.97 183.18 1a5e n GLU 88 N -4.89 2.34 -3.51 0.20 -0.58 -0.51 -4.92 120.64 108.77 1a5e n GLU 88 Ca 0.28 -1.64 -0.21 0.00 -0.42 0.00 0.00 57.16 55.17 1a5e n GLU 88 Cb 0.82 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.25 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5e n GLY 89 N 0.98 -0.79 2.72 0.62 0.00 0.47 -4.97 105.19 104.21 1a5e n GLY 89 Ca 0.15 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 1a5e n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5e s PHE 90 N -3.48 1.99 0.18 1.61 5.36 0.46 -4.95 117.98 119.15 1a5e s PHE 90 Ca 0.29 -2.40 -0.01 0.00 -0.96 0.00 0.00 56.93 53.85 1a5e s PHE 90 Cb -0.07 -1.90 0.06 0.00 -0.34 0.00 0.00 43.02 40.77 1a5e s PHE 90 CO 0.79 -0.79 1.44 1.25 -1.46 0.00 0.00 175.22 176.45 1a5e h LEU 91 N 6.82 0.48 -0.70 6.12 6.46 -1.93 -3.17 115.31 129.40 1a5e h LEU 91 Ca -0.02 -0.31 0.15 0.00 -0.12 0.00 0.00 57.88 57.58 1a5e h LEU 91 Cb 0.93 -0.14 -0.12 0.00 -0.73 0.00 0.00 40.66 40.60 1a5e h LEU 91 CO 0.48 1.05 -0.00 0.44 -0.62 0.00 0.00 178.44 179.79 1a5e h ASP 92 N 0.28 -0.33 -0.63 1.25 5.19 -1.98 0.42 116.42 120.63 1a5e h ASP 92 Ca -0.03 0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1a5e h ASP 92 Cb 1.30 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 41.10 1a5e h ASP 92 CO 0.12 -0.15 0.19 0.74 -3.12 0.00 0.00 179.24 177.02 1a5e h THR 93 N 0.11 1.25 -0.02 0.35 2.02 -1.84 -2.85 112.91 111.92 1a5e h THR 93 Ca 0.37 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1a5e h THR 93 Cb 0.63 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1a5e h THR 93 CO -0.61 0.33 -0.31 0.25 0.37 0.00 0.00 175.52 175.54 1a5e h LEU 94 N 0.90 -0.94 -0.72 2.58 5.85 -0.23 -0.07 115.31 122.68 1a5e h LEU 94 Ca 0.20 0.13 0.16 0.00 0.84 0.00 0.00 57.88 59.20 1a5e h LEU 94 Cb 0.30 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 1a5e h LEU 94 CO -0.00 -0.37 0.14 0.58 -0.34 0.00 0.00 178.44 178.44 1a5e h VAL 95 N -0.45 0.49 0.24 1.05 2.07 -0.84 -0.21 116.25 118.60 1a5e h VAL 95 Ca 0.07 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1a5e h VAL 95 Cb 0.55 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1a5e h VAL 95 CO -0.28 0.04 -0.18 0.58 0.02 0.00 0.00 177.57 177.76 1a5e h VAL 96 N 0.23 0.62 -0.44 2.57 2.07 -1.02 1.22 116.25 121.50 1a5e h VAL 96 Ca 0.40 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.01 1a5e h VAL 96 Cb 0.69 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1a5e h VAL 96 CO -0.53 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 176.74 1a5e h LEU 97 N -0.42 -0.85 -0.84 2.57 4.07 0.61 0.27 115.31 120.73 1a5e h LEU 97 Ca -0.02 0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 1a5e h LEU 97 Cb 0.37 0.44 -0.00 0.00 1.08 0.00 0.00 40.66 42.54 1a5e h LEU 97 CO -0.00 -0.27 -0.13 -0.74 -1.08 0.00 0.00 178.44 176.22 1a5e h HIS 98 N -0.16 0.00 0.00 1.13 2.76 -0.89 -2.16 115.15 115.82 1a5e h HIS 98 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1a5e h HIS 98 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1a5e h HIS 98 CO -0.50 0.13 0.00 -0.09 -1.30 0.00 0.00 177.93 176.17 1a5e h ARG 99 N 0.00 0.00 0.00 5.26 2.43 0.52 -3.41 114.38 119.18 1a5e h ARG 99 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a5e h ARG 99 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1a5e h ARG 99 CO 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 1a5e n ALA 100 N -1.89 2.32 -3.23 2.80 0.00 -0.99 -5.04 120.51 114.47 1a5e n ALA 100 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1a5e n ALA 100 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1a5e n ALA 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a5e s GLY 101 N -2.54 -0.91 -0.34 0.00 0.00 -0.86 -5.10 107.32 97.58 1a5e s GLY 101 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.42 1a5e s GLY 101 CO 0.00 3.35 0.43 0.00 0.00 0.00 0.00 173.10 176.88 1a5e s ALA 102 N 2.69 -1.13 -0.34 3.20 0.00 -0.93 -3.12 121.76 122.14 1a5e s ALA 102 Ca 0.10 -0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 1a5e s ALA 102 Cb -0.11 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.74 1a5e s ALA 102 CO -0.28 -1.97 2.26 -2.13 0.00 0.00 0.00 175.76 173.64 1a5e n ARG 103 N 4.81 1.41 -1.19 0.00 3.00 -1.25 -4.62 116.66 118.81 1a5e n ARG 103 Ca 0.06 0.34 -0.25 0.00 -0.00 0.00 0.00 57.85 58.00 1a5e n ARG 103 Cb 0.49 -2.90 0.15 0.00 0.00 0.00 0.00 32.46 30.20 1a5e n ARG 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a5e n LEU 104 N 11.57 6.79 -2.61 6.15 4.77 -1.26 -4.41 117.00 138.00 1a5e n LEU 104 Ca 0.37 -3.66 -0.10 0.00 -0.03 0.00 0.00 56.01 52.59 1a5e n LEU 104 Cb 0.36 -0.86 0.03 0.00 -2.33 0.00 0.00 43.42 40.62 1a5e n LEU 104 CO 0.72 1.12 0.01 -0.90 -1.33 0.00 0.00 177.39 177.00 1a5e n ASP 105 N -0.99 2.43 -4.60 -1.43 5.75 -1.26 -3.09 116.55 113.35 1a5e n ASP 105 Ca 0.57 -2.73 -0.25 0.00 -0.01 0.00 0.00 54.79 52.38 1a5e n ASP 105 Cb 1.39 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.99 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1a5e n VAL 106 N -0.42 0.00 -4.48 2.12 3.14 -1.26 -5.07 118.33 112.36 1a5e n VAL 106 Ca 0.17 -2.04 -0.21 0.00 -2.96 0.00 0.00 64.34 59.29 1a5e n VAL 106 Cb 0.81 0.01 -0.05 0.00 -1.06 0.00 0.00 33.84 33.56 1a5e n VAL 106 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1a5e n ARG 107 N -1.62 1.02 -1.34 1.45 1.74 -1.26 -4.45 116.66 112.21 1a5e n ARG 107 Ca -0.04 -2.53 -0.27 0.00 -0.77 0.00 0.00 57.85 54.23 1a5e n ARG 107 Cb 0.58 0.86 0.11 0.00 -1.02 0.00 0.00 32.46 32.99 1a5e n ARG 107 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1a5e n ASP 108 N -1.34 5.68 0.00 0.55 5.75 -1.15 -4.44 116.55 121.60 1a5e n ASP 108 Ca -0.12 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 50.92 1a5e n ASP 108 Cb 0.44 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a5e n ALA 109 N -0.97 0.00 0.05 2.12 0.00 -1.20 -4.55 120.51 115.97 1a5e n ALA 109 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1a5e n ALA 109 Cb 1.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1a5e n ALA 109 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1a5e n TRP 110 N -2.12 -0.39 0.00 0.00 8.01 -1.26 -5.03 117.44 116.66 1a5e n TRP 110 Ca 0.00 0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1a5e n TRP 110 Cb 0.13 0.11 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a5e n GLY 111 N 3.05 0.29 3.58 6.99 0.00 -1.26 -5.15 105.19 112.68 1a5e n GLY 111 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1a5e n GLY 111 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5e s ARG 112 N 0.00 -0.04 0.31 1.61 3.52 -1.26 -4.81 118.95 118.28 1a5e s ARG 112 Ca 0.00 1.11 0.04 0.00 -0.13 0.00 0.00 55.73 56.75 1a5e s ARG 112 Cb 0.00 -1.64 -0.06 0.00 -1.56 0.00 0.00 34.95 31.69 1a5e s ARG 112 CO 0.00 -3.21 0.06 -0.51 -0.81 0.00 0.00 175.30 170.82 1a5e s LEU 113 N -6.92 2.13 0.22 -0.88 1.43 -1.26 -2.94 118.68 110.46 1a5e s LEU 113 Ca 0.67 -1.36 0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1a5e s LEU 113 Cb -0.24 -0.34 0.92 0.00 0.03 0.00 0.00 46.19 46.56 1a5e s LEU 113 CO 0.62 -0.61 1.66 -0.81 0.23 0.00 0.00 176.35 177.43 1a5e n PRO 114 N -0.65 0.16 0.00 1.29 -0.04 -1.26 -2.85 135.00 131.65 1a5e n PRO 114 Ca -0.02 0.42 -0.21 0.00 -0.04 0.00 0.00 63.50 63.64 1a5e n PRO 114 Cb 0.66 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1a5e n PRO 114 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1a5e n VAL 115 N -2.12 1.78 -0.26 0.52 3.14 -1.26 -4.04 118.33 116.09 1a5e n VAL 115 Ca 0.02 -0.65 -0.01 0.00 -2.96 0.00 0.00 64.34 60.74 1a5e n VAL 115 Cb 0.20 -1.73 0.11 0.00 -1.06 0.00 0.00 33.84 31.36 1a5e n VAL 115 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1a5e h ASP 116 N 0.06 0.66 0.10 6.55 3.32 -1.93 -2.64 116.42 122.54 1a5e h ASP 116 Ca -0.43 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.66 1a5e h ASP 116 Cb 2.03 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.44 1a5e h ASP 116 CO 0.08 0.43 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.77 1a5e h LEU 117 N 0.79 -0.54 -0.07 1.55 3.38 -1.72 -2.51 115.31 116.20 1a5e h LEU 117 Ca 0.32 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1a5e h LEU 117 Cb 0.17 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1a5e h LEU 117 CO -0.17 -0.27 -0.25 0.00 0.09 0.00 0.00 178.44 177.83 1a5e h ALA 118 N 0.47 -0.29 -1.05 1.53 0.00 -1.63 0.50 119.26 118.79 1a5e h ALA 118 Ca 0.03 0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.26 1a5e h ALA 118 Cb 0.39 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1a5e h ALA 118 CO -0.11 -0.74 0.75 0.93 0.00 0.00 0.00 179.25 180.08 1a5e h GLU 119 N -0.36 0.03 0.00 0.00 5.08 -1.30 -1.84 114.58 116.19 1a5e h GLU 119 Ca 0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a5e h GLU 119 Cb 0.47 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a5e h GLU 119 CO -0.27 0.02 -0.29 0.93 -1.00 0.00 0.00 179.01 178.40 1a5e h GLU 120 N 0.03 0.00 0.00 2.33 4.39 -0.45 -3.43 114.58 117.45 1a5e h GLU 120 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1a5e h GLU 120 Cb 1.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1a5e h GLU 120 CO -0.03 0.09 0.00 1.28 -1.16 0.00 0.00 179.01 179.19 1a5e n LEU 121 N -4.68 0.00 0.00 1.33 4.77 0.15 -4.93 117.00 113.64 1a5e n LEU 121 Ca -0.05 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1a5e n LEU 121 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1a5e n LEU 121 CO 0.07 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1a5e n GLY 122 N -0.18 0.00 2.67 -0.72 0.00 -0.75 -5.02 105.19 101.19 1a5e n GLY 122 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1a5e n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5e n HIS 123 N 0.00 2.74 -0.33 1.61 8.25 -1.13 -4.71 115.22 121.65 1a5e n HIS 123 Ca 0.00 -2.40 0.22 0.00 -0.26 0.00 0.00 57.72 55.28 1a5e n HIS 123 Cb 0.00 -1.27 0.44 0.00 1.12 0.00 0.00 29.99 30.28 1a5e n HIS 123 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1a5e h ARG 124 N 2.70 0.30 -0.29 -0.41 2.43 -1.94 1.51 114.38 118.67 1a5e h ARG 124 Ca 0.54 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 1a5e h ARG 124 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1a5e h ARG 124 CO 1.35 0.20 0.16 0.38 -1.51 0.00 0.00 179.97 180.54 1a5e h ASP 125 N 0.31 0.36 0.02 -3.80 2.03 -1.98 -1.55 116.42 111.80 1a5e h ASP 125 Ca 0.70 -0.09 -0.25 0.00 -0.73 0.00 0.00 57.03 56.65 1a5e h ASP 125 Cb 1.56 -0.09 0.02 0.00 -0.83 0.00 0.00 39.33 39.99 1a5e h ASP 125 CO -0.62 0.35 -0.99 0.58 -1.03 0.00 0.00 179.24 177.53 1a5e h VAL 126 N 0.35 1.30 0.23 4.15 2.07 -0.16 -3.19 116.25 121.00 1a5e h VAL 126 Ca 0.10 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1a5e h VAL 126 Cb 0.07 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1a5e h VAL 126 CO -0.02 0.69 -0.41 0.00 0.02 0.00 0.00 177.57 177.86 1a5e h ALA 127 N 0.37 -0.98 -0.25 1.67 0.00 0.19 0.22 119.26 120.48 1a5e h ALA 127 Ca -0.13 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 127 Cb 1.66 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 20.11 1a5e h ALA 127 CO 0.19 -1.04 -0.48 0.00 0.00 0.00 0.00 179.25 177.92 1a5e h ARG 128 N -0.68 -0.40 0.44 0.00 3.08 -1.40 0.65 114.38 116.06 1a5e h ARG 128 Ca -0.02 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1a5e h ARG 128 Cb 0.63 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1a5e h ARG 128 CO -0.15 -0.27 -0.33 -0.92 -1.07 0.00 0.00 179.97 177.24 1a5e h TYR 129 N -0.42 -0.89 0.00 3.04 5.03 -1.52 -1.53 116.97 120.68 1a5e h TYR 129 Ca 0.05 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1a5e h TYR 129 Cb 0.55 0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1a5e h TYR 129 CO -0.65 -0.46 0.28 1.37 -1.32 0.00 0.00 178.16 177.38 1a5e h LEU 130 N -0.74 0.00 -0.03 2.82 8.10 -0.39 0.09 115.31 125.17 1a5e h LEU 130 Ca -0.06 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.69 1a5e h LEU 130 Cb 0.61 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.85 1a5e h LEU 130 CO 0.02 0.00 -0.93 -0.09 -4.11 0.00 0.00 178.44 173.33 1a5e h ARG 131 N 0.00 0.68 -0.53 0.17 1.12 0.13 0.11 114.38 116.07 1a5e h ARG 131 Ca 0.00 -0.70 -0.01 0.00 -1.11 0.00 0.00 59.98 58.17 1a5e h ARG 131 Cb 0.57 0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.69 1a5e h ARG 131 CO 0.00 1.28 0.29 0.00 -3.11 0.00 0.00 179.97 178.44 1a5e h ALA 132 N 0.42 1.53 0.00 2.80 0.00 -0.36 0.84 119.26 124.49 1a5e h ALA 132 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a5e h ALA 132 Cb 1.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1a5e h ALA 132 CO 0.18 0.40 -0.77 0.00 0.00 0.00 0.00 179.25 179.07 1a5e h ALA 133 N 1.60 0.52 -0.37 0.00 0.00 -1.52 -3.34 119.26 116.14 1a5e h ALA 133 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1a5e h ALA 133 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 1a5e h ALA 133 CO -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.20 1a5e n ALA 134 N -1.90 4.15 -2.00 0.00 0.00 0.38 -4.24 120.51 116.89 1a5e n ALA 134 Ca 0.02 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1a5e n ALA 134 Cb 0.46 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1a5e n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 135 N -1.02 0.27 5.00 0.00 0.00 0.18 -4.87 105.19 104.75 1a5e n GLY 135 Ca 0.33 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1a5e n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5e n GLY 136 N 0.00 1.23 3.61 -0.02 0.00 -1.26 -4.85 105.19 103.91 1a5e n GLY 136 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1a5e n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5e n THR 137 N 0.00 0.45 -3.07 2.61 -2.24 -1.26 -4.88 114.28 105.89 1a5e n THR 137 Ca 0.00 -0.38 -0.44 0.00 -2.27 0.00 0.00 64.05 60.97 1a5e n THR 137 Cb 0.00 -2.49 0.01 0.00 -2.10 0.00 0.00 70.33 65.74 1a5e n THR 137 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1a5e n ARG 138 N 8.44 4.15 0.00 -0.78 0.00 -1.26 -4.99 116.66 122.22 1a5e n ARG 138 Ca 0.28 -4.47 0.00 0.00 -0.00 0.00 0.00 57.85 53.66 1a5e n ARG 138 Cb 0.43 -2.55 0.00 0.00 0.00 0.00 0.00 32.46 30.34 1a5e n ARG 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5e n GLY 139 N 1.84 0.48 1.66 5.14 0.00 -1.26 -5.03 105.19 108.02 1a5e n GLY 139 Ca 0.26 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.52 1a5e n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 140 N 2.77 -6.60 0.00 1.61 7.64 -1.26 -4.90 113.62 112.88 1a5e n SER 140 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1a5e n SER 140 Cb 0.00 -3.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 1a5e n SER 140 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1a5e n ASN 141 N -4.25 1.19 -1.19 6.43 5.15 -1.26 -5.13 115.26 116.19 1a5e n ASN 141 Ca 0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.98 1a5e n ASN 141 Cb 0.48 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1a5e n ASN 141 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1a5e n HIS 142 N -2.16 -0.03 -3.83 1.20 -0.00 -1.26 -4.94 115.22 104.19 1a5e n HIS 142 Ca 0.00 -0.13 -0.35 0.00 0.46 0.00 0.00 57.72 57.70 1a5e n HIS 142 Cb 0.21 0.01 0.03 0.00 -0.12 0.00 0.00 29.99 30.12 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a5e n ALA 143 N -2.89 -2.62 -0.47 1.57 0.00 -1.26 -4.90 120.51 109.94 1a5e n ALA 143 Ca -0.01 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 1a5e n ALA 143 Cb 0.03 -2.83 0.25 0.00 0.00 0.00 0.00 19.45 16.90 1a5e n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a5e n ARG 144 N -4.17 -2.75 -2.64 0.00 1.74 -1.26 -4.93 116.66 102.65 1a5e n ARG 144 Ca -0.13 -0.79 -0.41 0.00 -0.77 0.00 0.00 57.85 55.76 1a5e n ARG 144 Cb 0.59 -2.01 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1a5e n ARG 144 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1a5e s ILE 145 N -2.31 4.02 -0.45 0.55 1.10 -1.26 -4.90 121.20 117.96 1a5e s ILE 145 Ca 0.65 1.87 -0.41 0.00 -0.51 0.00 0.00 60.65 62.25 1a5e s ILE 145 Cb -0.21 -4.19 -0.17 0.00 0.15 0.00 0.00 42.46 38.04 1a5e s ILE 145 CO 0.64 0.38 2.12 -0.67 -2.11 0.00 0.00 174.94 175.30 1a5e n ASP 146 N 1.95 1.23 -4.61 4.50 2.03 -1.26 -4.78 116.55 115.61 1a5e n ASP 146 Ca 0.00 0.64 -0.48 0.00 0.52 0.00 0.00 54.79 55.47 1a5e n ASP 146 Cb 0.47 -1.01 -0.04 0.00 -0.72 0.00 0.00 41.12 39.81 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a5e n ALA 147 N 7.95 -0.21 -3.49 -1.67 0.00 -1.26 -4.97 120.51 116.88 1a5e n ALA 147 Ca 0.49 0.46 -0.00 0.00 0.00 0.00 0.00 53.44 54.38 1a5e n ALA 147 Cb 0.04 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 1a5e n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e s ALA 148 N 0.05 -2.00 -0.30 0.00 0.00 -1.26 -5.13 121.76 113.11 1a5e s ALA 148 Ca 0.74 2.07 -0.19 0.00 0.00 0.00 0.00 51.96 54.58 1a5e s ALA 148 Cb -0.81 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1a5e s ALA 148 CO 0.49 -1.05 0.58 -2.00 0.00 0.00 0.00 175.76 173.79 1a5e s GLU 149 N 2.85 3.88 0.49 0.00 2.56 -1.26 -4.89 118.70 122.34 1a5e s GLU 149 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.21 1a5e s GLU 149 Cb -0.13 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.27 1a5e s GLU 149 CO -0.19 -0.54 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 1a5e n GLY 150 N 4.50 -3.48 3.73 -1.50 0.00 -1.26 -4.80 105.19 102.38 1a5e n GLY 150 Ca -0.02 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1a5e n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5e s PRO 151 N -4.49 4.69 -0.33 1.61 0.04 -1.26 -5.01 135.00 130.25 1a5e s PRO 151 Ca 0.00 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 1a5e s PRO 151 Cb 0.00 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1a5e s PRO 151 CO 0.00 0.21 0.86 0.45 0.04 0.00 0.00 177.00 178.57 1a5e s SER 152 N 0.01 6.70 -0.57 6.66 0.15 -1.26 -4.92 113.70 120.47 1a5e s SER 152 Ca 0.47 0.68 -0.06 0.00 0.70 0.00 0.00 55.95 57.74 1a5e s SER 152 Cb -0.23 -2.44 -0.14 0.00 -1.71 0.00 0.00 66.02 61.50 1a5e s SER 152 CO 0.29 -0.72 2.68 0.47 1.20 0.00 0.00 173.24 177.16 1a5e n ASP 153 N 6.45 5.17 -4.09 5.45 8.00 -1.26 -4.74 116.55 131.52 1a5e n ASP 153 Ca 0.06 -2.32 -0.35 0.00 0.71 0.00 0.00 54.79 52.88 1a5e n ASP 153 Cb 0.48 -1.17 -0.11 0.00 -0.02 0.00 0.00 41.12 40.29 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a5e s ILE 154 N 2.14 3.32 0.07 0.53 1.01 -1.26 -5.06 121.20 121.94 1a5e s ILE 154 Ca 0.51 -2.48 -0.31 0.00 0.00 0.00 0.00 60.65 58.37 1a5e s ILE 154 Cb 0.19 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.34 1a5e s ILE 154 CO -0.02 -0.76 1.56 -2.16 0.00 0.00 0.00 174.94 173.56 1a5e s PRO 155 N 0.60 4.23 0.00 2.79 0.04 -1.26 -5.29 135.00 136.11 1a5e s PRO 155 Ca 0.12 2.22 0.26 0.00 0.04 0.00 0.00 61.00 63.65 1a5e s PRO 155 Cb -0.22 -3.50 1.57 0.00 0.04 0.00 0.00 34.50 32.39 1a5e s PRO 155 CO -0.04 -0.65 1.92 -3.47 0.04 0.00 0.00 177.00 174.80