#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e h GLU 2 N 0.00 -0.68 -7.18 2.12 3.07 -2.07 -3.43 114.58 106.41 1a5e h GLU 2 Ca 0.00 0.05 -0.50 0.00 -0.50 0.00 0.00 59.36 58.41 1a5e h GLU 2 Cb 0.00 0.16 0.07 0.00 -0.84 0.00 0.00 28.75 28.14 1a5e h GLU 2 CO 0.00 -0.46 0.38 -1.25 -1.40 0.00 0.00 179.01 176.29 1a5e s PRO 3 N -4.84 3.21 0.16 2.33 0.04 -1.26 -4.72 135.00 129.93 1a5e s PRO 3 Ca -0.12 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1a5e s PRO 3 Cb 0.02 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1a5e s PRO 3 CO 0.38 -0.91 0.00 0.00 0.04 0.00 0.00 177.00 176.51 1a5e n ALA 4 N -1.98 -2.11 -2.52 8.56 0.00 -1.26 -5.04 120.51 116.16 1a5e n ALA 4 Ca 0.10 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.74 1a5e n ALA 4 Cb 0.52 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e s ALA 5 N -0.49 1.71 0.00 0.00 0.00 -1.26 -4.99 121.76 116.73 1a5e s ALA 5 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1a5e s ALA 5 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1a5e s ALA 5 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1a5e n GLY 6 N 1.53 4.43 3.87 0.00 0.00 -1.26 -5.13 105.19 108.63 1a5e n GLY 6 Ca -0.18 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5e s SER 7 N 0.00 6.24 -0.03 1.61 1.04 -1.26 -5.10 113.70 116.19 1a5e s SER 7 Ca 0.00 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.78 1a5e s SER 7 Cb 0.00 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.19 1a5e s SER 7 CO 0.00 0.31 -0.01 -0.55 0.98 0.00 0.00 173.24 173.97 1a5e s SER 8 N -1.60 0.62 -0.01 7.02 0.15 -1.26 -5.14 113.70 113.48 1a5e s SER 8 Ca 0.22 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 1a5e s SER 8 Cb -0.12 -0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1a5e s SER 8 CO 0.13 -0.09 0.02 -0.04 1.20 0.00 0.00 173.24 174.47 1a5e s MET 9 N 1.00 0.09 -0.09 5.44 -1.94 -1.26 -5.16 119.30 117.39 1a5e s MET 9 Ca -0.10 -0.07 -0.32 0.00 -1.71 0.00 0.00 55.69 53.48 1a5e s MET 9 Cb -0.14 0.04 0.13 0.00 2.01 0.00 0.00 34.83 36.86 1a5e s MET 9 CO -0.01 -0.01 1.22 -1.83 -0.01 0.00 0.00 175.02 174.38 1a5e s GLU 10 N -0.26 0.41 0.13 2.03 -1.05 -1.26 -5.17 118.70 113.54 1a5e s GLU 10 Ca -0.03 -0.19 -0.02 0.00 -0.15 0.00 0.00 54.97 54.57 1a5e s GLU 10 Cb -0.02 0.16 0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1a5e s GLU 10 CO -0.00 -0.18 0.12 -0.35 0.95 0.00 0.00 175.26 175.80 1a5e n PRO 11 N -0.30 -1.14 0.00 -4.83 -0.04 -1.26 -5.03 135.00 122.40 1a5e n PRO 11 Ca -0.04 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1a5e n PRO 11 Cb 0.61 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 -3.19 0.36 -4.64 3.54 2.88 -1.26 -5.04 113.62 106.26 1a5e n SER 12 Ca 0.02 -0.06 -0.42 0.00 -1.33 0.00 0.00 58.87 57.08 1a5e n SER 12 Cb 0.06 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e s ALA 13 N -0.25 3.40 0.00 -1.46 0.00 -1.26 -4.38 121.76 117.80 1a5e s ALA 13 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1a5e s ALA 13 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1a5e s ALA 13 CO 0.00 -1.78 0.00 -3.47 0.00 0.00 0.00 175.76 170.51 1a5e n ASP 14 N 8.21 0.00 0.00 0.00 -0.08 -1.26 -4.94 116.55 118.48 1a5e n ASP 14 Ca 0.20 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.54 1a5e n ASP 14 Cb 0.43 0.11 0.33 0.00 2.34 0.00 0.00 41.12 44.33 1a5e n ASP 14 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1a5e n TRP 15 N -2.00 0.00 -0.06 -0.67 7.02 -1.26 -2.68 117.44 117.78 1a5e n TRP 15 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1a5e n TRP 15 Cb 0.00 -0.22 -0.10 0.00 -2.42 0.00 0.00 31.31 28.57 1a5e n TRP 15 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1a5e h LEU 16 N 0.00 -0.00 -0.64 -0.99 3.38 -1.92 -1.39 115.31 113.75 1a5e h LEU 16 Ca 0.00 -0.76 -0.12 0.00 0.09 0.00 0.00 57.88 57.09 1a5e h LEU 16 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1a5e h LEU 16 CO 0.00 0.87 -0.19 0.00 0.09 0.00 0.00 178.44 179.21 1a5e h ALA 17 N -0.21 0.83 0.22 1.53 0.00 -1.79 -2.80 119.26 117.03 1a5e h ALA 17 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1a5e h ALA 17 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1a5e h ALA 17 CO 0.00 0.65 -0.11 1.79 0.00 0.00 0.00 179.25 181.58 1a5e h THR 18 N 0.76 0.00 -0.49 0.00 1.35 -1.63 -2.81 112.91 110.09 1a5e h THR 18 Ca 0.11 -0.69 0.07 0.00 -0.55 0.00 0.00 66.41 65.35 1a5e h THR 18 Cb 0.72 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.05 1a5e h THR 18 CO 0.06 0.00 -0.47 0.00 -0.25 0.00 0.00 175.52 174.85 1a5e h ALA 19 N -1.17 -0.49 -0.91 6.62 0.00 -1.36 0.26 119.26 122.20 1a5e h ALA 19 Ca -0.03 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1a5e h ALA 19 Cb 0.23 1.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1a5e h ALA 19 CO 0.05 -0.91 0.53 0.00 0.00 0.00 0.00 179.25 178.92 1a5e h ALA 20 N 0.37 1.37 -0.22 0.00 0.00 -1.65 0.88 119.26 120.01 1a5e h ALA 20 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1a5e h ALA 20 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a5e h ALA 20 CO -0.63 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 178.56 1a5e h ALA 21 N 1.54 1.40 -0.42 0.00 0.00 0.42 -2.24 119.26 119.96 1a5e h ALA 21 Ca 0.47 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1a5e h ALA 21 Cb 0.56 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1a5e h ALA 21 CO -0.31 0.41 0.16 -2.13 0.00 0.00 0.00 179.25 177.39 1a5e n ARG 22 N -4.25 2.50 -3.64 0.00 0.63 0.45 -3.87 116.66 108.47 1a5e n ARG 22 Ca 0.00 -1.70 -0.29 0.00 -0.92 0.00 0.00 57.85 54.94 1a5e n ARG 22 Cb 0.28 -1.80 0.04 0.00 0.45 0.00 0.00 32.46 31.43 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 0.01 -1.03 2.25 5.14 0.00 -0.87 -4.94 105.19 105.75 1a5e n GLY 23 Ca 0.23 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.48 1a5e n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 24 N -3.95 1.14 0.02 1.61 5.12 -0.86 -4.97 116.66 114.77 1a5e n ARG 24 Ca -0.10 -3.54 -0.10 0.00 -1.93 0.00 0.00 57.85 52.18 1a5e n ARG 24 Cb 0.59 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.36 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1a5e h VAL 25 N 2.09 0.37 -1.14 1.55 2.07 -1.92 -1.21 116.25 118.05 1a5e h VAL 25 Ca 0.10 0.00 0.39 0.00 0.82 0.00 0.00 66.70 68.01 1a5e h VAL 25 Cb 0.84 0.37 -0.14 0.00 -1.52 0.00 0.00 31.29 30.84 1a5e h VAL 25 CO 0.54 0.00 0.69 -0.33 0.02 0.00 0.00 177.57 178.49 1a5e h GLU 26 N -0.37 0.15 0.10 1.57 5.08 -1.98 0.97 114.58 120.10 1a5e h GLU 26 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a5e h GLU 26 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a5e h GLU 26 CO -0.30 0.10 -0.05 0.93 -1.00 0.00 0.00 179.01 178.69 1a5e h GLU 27 N 0.15 -0.13 -0.33 2.33 5.08 -1.63 -2.92 114.58 117.13 1a5e h GLU 27 Ca 0.79 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 59.06 1a5e h GLU 27 Cb 2.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.46 1a5e h GLU 27 CO -0.55 0.18 -0.19 0.28 -1.00 0.00 0.00 179.01 177.74 1a5e h VAL 28 N -0.45 1.29 -0.74 3.13 2.07 -0.13 -1.55 116.25 119.86 1a5e h VAL 28 Ca -0.01 -1.31 0.17 0.00 0.82 0.00 0.00 66.70 66.36 1a5e h VAL 28 Cb 0.38 1.43 -0.13 0.00 -1.52 0.00 0.00 31.29 31.44 1a5e h VAL 28 CO 0.02 0.43 -0.02 0.03 0.02 0.00 0.00 177.57 178.05 1a5e h ARG 29 N 0.48 0.08 0.07 1.57 2.47 0.72 0.23 114.38 119.99 1a5e h ARG 29 Ca 0.07 -0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.52 1a5e h ARG 29 Cb 0.73 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1a5e h ARG 29 CO 0.05 0.06 -1.11 0.00 0.56 0.00 0.00 179.97 179.52 1a5e h ALA 30 N 1.70 0.16 0.29 0.04 0.00 -1.48 -3.02 119.26 116.95 1a5e h ALA 30 Ca 0.40 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1a5e h ALA 30 Cb 0.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1a5e h ALA 30 CO -0.67 0.78 -0.15 -0.07 0.00 0.00 0.00 179.25 179.14 1a5e h LEU 31 N 0.24 -0.37 -0.71 0.00 3.38 0.07 0.19 115.31 118.12 1a5e h LEU 31 Ca -0.13 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.00 1a5e h LEU 31 Cb 1.78 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 42.50 1a5e h LEU 31 CO 0.20 -0.25 -0.05 -0.07 0.09 0.00 0.00 178.44 178.36 1a5e h LEU 32 N -0.40 -0.43 -1.68 1.67 3.38 -0.80 0.95 115.31 117.99 1a5e h LEU 32 Ca -0.04 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1a5e h LEU 32 Cb 0.31 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1a5e h LEU 32 CO 0.06 -0.18 0.00 -0.33 0.09 0.00 0.00 178.44 178.07 1a5e h GLU 33 N 0.07 0.00 -0.00 1.13 5.08 -1.44 -2.10 114.58 117.31 1a5e h GLU 33 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1a5e h GLU 33 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1a5e h GLU 33 CO -0.65 0.00 -0.28 0.00 -1.00 0.00 0.00 179.01 177.07 1a5e n ALA 34 N -2.01 3.11 0.00 3.43 0.00 0.32 -4.88 120.51 120.48 1a5e n ALA 34 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1a5e n ALA 34 Cb 0.22 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.38 1.82 3.81 0.00 0.00 -0.80 -5.06 105.19 106.34 1a5e n GLY 35 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e s ALA 36 N -2.00 2.66 -0.35 4.61 0.00 -0.97 -4.98 121.76 120.74 1a5e s ALA 36 Ca 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 1a5e s ALA 36 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1a5e s ALA 36 CO 0.00 -1.13 0.79 -1.17 0.00 0.00 0.00 175.76 174.26 1a5e s LEU 37 N -5.18 4.11 0.21 0.00 1.98 -1.26 -4.85 118.68 113.68 1a5e s LEU 37 Ca 0.61 0.47 -0.03 0.00 -2.89 0.00 0.00 54.13 52.28 1a5e s LEU 37 Cb -0.15 -3.06 0.18 0.00 0.66 0.00 0.00 46.19 43.82 1a5e s LEU 37 CO 0.48 -0.70 1.58 1.55 -1.89 0.00 0.00 176.35 177.37 1a5e h PRO 38 N 8.37 0.63 -2.30 0.98 0.13 -1.93 -3.27 132.00 134.60 1a5e h PRO 38 Ca -0.24 -0.32 -0.72 0.00 -0.87 0.00 0.00 66.00 63.85 1a5e h PRO 38 Cb 1.09 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.90 1a5e h PRO 38 CO 0.91 0.91 0.35 0.09 -0.23 0.00 0.00 178.00 180.03 1a5e n ASN 39 N -4.04 6.13 -4.25 1.44 5.03 -1.26 -4.20 115.26 114.11 1a5e n ASN 39 Ca -0.02 -3.66 -0.43 0.00 0.87 0.00 0.00 54.58 51.34 1a5e n ASN 39 Cb 0.52 -0.94 -0.07 0.00 -1.02 0.00 0.00 39.78 38.27 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5e s ALA 40 N -3.86 3.53 -0.09 5.41 0.00 -1.24 -5.05 121.76 120.47 1a5e s ALA 40 Ca 0.42 -2.60 -0.30 0.00 0.00 0.00 0.00 51.96 49.48 1a5e s ALA 40 Cb 0.21 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1a5e s ALA 40 CO -0.11 -1.98 1.44 -1.25 0.00 0.00 0.00 175.76 173.86 1a5e s PRO 41 N 1.34 4.22 0.60 0.00 0.04 -1.26 -4.76 135.00 135.18 1a5e s PRO 41 Ca 0.06 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.09 1a5e s PRO 41 Cb -0.27 -3.81 0.09 0.00 0.04 0.00 0.00 34.50 30.55 1a5e s PRO 41 CO 0.00 -0.73 0.82 -0.80 0.04 0.00 0.00 177.00 176.33 1a5e s ASN 42 N 2.48 4.98 0.00 6.66 0.01 -1.26 -4.96 114.94 122.84 1a5e s ASN 42 Ca 0.64 -0.76 0.14 0.00 -0.71 0.00 0.00 52.86 52.17 1a5e s ASN 42 Cb -0.28 0.23 0.72 0.00 0.41 0.00 0.00 41.25 42.33 1a5e s ASN 42 CO 0.23 -1.42 1.40 -1.54 -1.51 0.00 0.00 177.10 174.25 1a5e n SER 43 N -2.34 0.00 0.00 -1.22 3.41 -1.26 -2.56 113.62 109.65 1a5e n SER 43 Ca 0.15 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1a5e n SER 43 Cb 0.61 -0.31 0.73 0.00 -0.26 0.00 0.00 64.21 64.99 1a5e n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5e n TYR 44 N -1.31 0.00 -2.59 7.33 4.19 -1.26 -4.85 117.16 118.68 1a5e n TYR 44 Ca 0.06 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.17 1a5e n TYR 44 Cb 0.12 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 39.94 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1a5e n GLY 45 N 0.83 -0.50 3.15 2.98 0.00 -1.06 -4.91 105.19 105.69 1a5e n GLY 45 Ca 0.19 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1a5e n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 46 N -5.16 2.08 1.10 1.61 0.52 -1.26 -4.85 118.95 112.99 1a5e s ARG 46 Ca 0.06 -0.67 -0.19 0.00 -0.52 0.00 0.00 55.73 54.40 1a5e s ARG 46 Cb -0.03 -1.74 0.07 0.00 0.52 0.00 0.00 34.95 33.77 1a5e s ARG 46 CO 0.07 0.23 -0.15 0.54 0.02 0.00 0.00 175.30 176.01 1a5e n ARG 47 N 3.25 -1.33 0.26 3.54 3.00 -1.26 -4.58 116.66 119.54 1a5e n ARG 47 Ca -0.19 -0.37 0.16 0.00 -0.01 0.00 0.00 57.85 57.44 1a5e n ARG 47 Cb 0.53 -1.63 0.58 0.00 0.00 0.00 0.00 32.46 31.94 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1a5e h PRO 48 N -1.91 0.00 0.00 5.56 0.13 -1.85 -3.27 132.00 130.66 1a5e h PRO 48 Ca -0.51 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.36 1a5e h PRO 48 Cb 1.36 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 1a5e h PRO 48 CO 0.36 0.00 -1.96 -0.89 -0.23 0.00 0.00 178.00 175.29 1a5e n ILE 49 N -3.08 0.96 0.22 -3.56 5.41 -1.26 -4.43 119.36 113.62 1a5e n ILE 49 Ca 0.01 -0.38 0.16 0.00 1.00 0.00 0.00 62.75 63.54 1a5e n ILE 49 Cb 0.35 -1.06 0.65 0.00 -0.71 0.00 0.00 39.64 38.87 1a5e n ILE 49 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1a5e h GLN 50 N 0.00 0.00 -0.58 0.38 4.20 -1.90 0.26 115.11 117.47 1a5e h GLN 50 Ca -0.37 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.95 1a5e h GLN 50 Cb 1.60 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 29.14 1a5e h GLN 50 CO -0.05 0.00 -0.17 1.55 -0.67 0.00 0.00 178.83 179.48 1a5e n VAL 51 N -3.10 2.72 -1.00 -0.54 3.14 -1.23 -4.69 118.33 113.63 1a5e n VAL 51 Ca 0.03 -3.28 -0.24 0.00 -2.96 0.00 0.00 64.34 57.89 1a5e n VAL 51 Cb 0.64 -0.73 0.10 0.00 -1.06 0.00 0.00 33.84 32.80 1a5e n VAL 51 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1a5e n MET 52 N -0.96 2.20 0.00 1.45 0.00 0.93 -1.55 117.12 119.19 1a5e n MET 52 Ca 0.42 -2.56 0.00 0.00 0.00 0.00 0.00 57.70 55.56 1a5e n MET 52 Cb 0.95 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 32.16 1a5e n MET 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1a5e n MET 53 N -0.64 0.00 -2.27 3.17 1.56 -1.04 -3.99 117.12 113.91 1a5e n MET 53 Ca 0.50 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.88 1a5e n MET 53 Cb 1.02 -2.43 -0.01 0.00 2.15 0.00 0.00 33.22 33.96 1a5e n MET 53 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1a5e n MET 54 N -1.98 -2.45 -0.30 2.12 2.81 -1.26 -4.65 117.12 111.40 1a5e n MET 54 Ca 0.00 0.24 0.01 0.00 -1.81 0.00 0.00 57.70 56.14 1a5e n MET 54 Cb 0.00 -4.71 0.01 0.00 -0.71 0.00 0.00 33.22 27.81 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 -0.54 0.15 2.53 3.03 0.00 -1.26 -4.61 105.19 104.49 1a5e n GLY 55 Ca -0.06 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1a5e n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 56 N -0.17 -1.71 -0.45 1.61 7.64 -1.26 -4.99 113.62 114.30 1a5e n SER 56 Ca 0.02 -2.81 0.37 0.00 1.01 0.00 0.00 58.87 57.45 1a5e n SER 56 Cb 0.62 0.61 0.67 0.00 -1.01 0.00 0.00 64.21 65.09 1a5e n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e h ALA 57 N 4.71 2.87 -0.99 -0.43 0.00 -1.92 0.43 119.26 123.92 1a5e h ALA 57 Ca 0.07 0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.27 1a5e h ALA 57 Cb 0.98 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1a5e h ALA 57 CO 0.28 -1.42 0.58 0.00 0.00 0.00 0.00 179.25 178.70 1a5e h ARG 58 N 0.11 0.58 0.51 0.00 3.08 -1.95 -0.71 114.38 116.00 1a5e h ARG 58 Ca 0.76 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.75 1a5e h ARG 58 Cb 2.53 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 32.45 1a5e h ARG 58 CO -0.28 0.38 -0.25 0.28 -1.07 0.00 0.00 179.97 179.04 1a5e h VAL 59 N 0.60 0.47 -0.89 2.04 2.07 -0.52 -2.80 116.25 117.22 1a5e h VAL 59 Ca 0.63 -0.19 0.14 0.00 0.82 0.00 0.00 66.70 68.09 1a5e h VAL 59 Cb 1.16 0.56 -0.15 0.00 -1.52 0.00 0.00 31.29 31.34 1a5e h VAL 59 CO -0.46 0.03 -0.39 0.00 0.02 0.00 0.00 177.57 176.77 1a5e h ALA 60 N -0.37 0.05 -0.81 1.67 0.00 -1.22 0.68 119.26 119.25 1a5e h ALA 60 Ca -0.07 0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1a5e h ALA 60 Cb 0.58 0.98 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1a5e h ALA 60 CO 0.12 -0.66 0.32 1.49 0.00 0.00 0.00 179.25 180.51 1a5e h GLU 61 N -0.05 0.40 0.00 0.00 4.81 -1.32 1.10 114.58 119.52 1a5e h GLU 61 Ca 0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1a5e h GLU 61 Cb 0.58 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1a5e h GLU 61 CO -0.90 0.26 0.00 -0.11 -0.73 0.00 0.00 179.01 177.53 1a5e n LEU 62 N -5.04 0.00 -0.01 1.64 0.00 0.23 0.26 117.00 114.09 1a5e n LEU 62 Ca 0.17 0.83 -0.10 0.00 0.00 0.00 0.00 56.01 56.91 1a5e n LEU 62 Cb 0.51 -0.33 -0.04 0.00 0.00 0.00 0.00 43.42 43.56 1a5e n LEU 62 CO 0.15 -0.33 0.89 -0.07 0.00 0.00 0.00 177.39 178.03 1a5e h LEU 63 N 0.00 0.03 -0.04 -1.96 3.38 -1.26 -1.25 115.31 114.22 1a5e h LEU 63 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1a5e h LEU 63 Cb 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1a5e h LEU 63 CO 0.00 0.04 -0.14 0.25 0.09 0.00 0.00 178.44 178.68 1a5e h LEU 64 N 0.10 -0.44 -2.40 1.67 6.46 0.13 1.76 115.31 122.58 1a5e h LEU 64 Ca 0.06 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1a5e h LEU 64 Cb 0.04 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1a5e h LEU 64 CO -0.06 -0.12 0.15 0.17 -0.62 0.00 0.00 178.44 177.96 1a5e h LEU 65 N -0.15 0.00 0.11 2.25 8.10 -0.17 -1.41 115.31 124.04 1a5e h LEU 65 Ca 0.01 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.75 1a5e h LEU 65 Cb 0.17 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1a5e h LEU 65 CO -0.11 0.00 -1.27 0.45 -4.11 0.00 0.00 178.44 173.40 1a5e h HIS 66 N 0.00 0.42 0.00 0.17 3.86 0.64 -3.48 115.15 116.76 1a5e h HIS 66 Ca 0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1a5e h HIS 66 Cb 0.31 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1a5e h HIS 66 CO 0.00 1.49 0.00 0.41 0.86 0.00 0.00 177.93 180.69 1a5e n GLY 67 N 1.71 0.00 0.00 2.45 0.00 0.57 -4.96 105.19 104.96 1a5e n GLY 67 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.27 4.61 0.00 0.65 -4.03 120.51 118.47 1a5e n ALA 68 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1a5e n ALA 68 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1a5e n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5e n GLU 69 N 0.00 2.64 0.00 0.00 1.02 -1.26 -4.80 120.64 118.24 1a5e n GLU 69 Ca 0.00 -4.66 0.08 0.00 -0.02 0.00 0.00 57.16 52.56 1a5e n GLU 69 Cb 0.00 -2.21 0.36 0.00 -0.02 0.00 0.00 31.44 29.57 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a5e n PRO 70 N 0.55 0.11 0.00 3.49 -0.04 -1.26 -4.25 135.00 133.60 1a5e n PRO 70 Ca 0.30 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1a5e n PRO 70 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1a5e n PRO 70 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a5e n ASN 71 N -1.39 0.00 -4.32 3.54 2.85 -1.26 -4.56 115.26 110.11 1a5e n ASN 71 Ca 0.06 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.13 1a5e n ASN 71 Cb 0.15 -0.02 0.01 0.00 1.24 0.00 0.00 39.78 41.16 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a5e n ALA 73 N -1.40 0.00 -2.78 0.00 0.00 -1.26 -4.53 120.51 110.53 1a5e n ALA 73 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1a5e n ALA 73 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 1.00 5.76 0.00 0.00 2.15 -1.25 -4.90 116.67 119.43 1a5e s ASP 74 Ca 0.00 0.28 0.21 0.00 0.43 0.00 0.00 52.55 53.46 1a5e s ASP 74 Cb 0.00 -1.77 1.23 0.00 -0.30 0.00 0.00 42.92 42.09 1a5e s ASP 74 CO 0.00 0.37 1.69 -0.81 -0.17 0.00 0.00 175.17 176.25 1a5e n PRO 75 N 2.20 0.83 -0.08 4.34 -0.04 -1.26 0.87 135.00 141.86 1a5e n PRO 75 Ca -0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.16 1a5e n PRO 75 Cb 0.54 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 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 3.44 0.09 0.00 0.55 0.00 -1.97 -3.42 119.26 117.95 1a5e h ALA 76 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1a5e h ALA 76 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a5e h ALA 76 CO 0.00 0.50 -0.21 2.41 0.00 0.00 0.00 179.25 181.95 1a5e n THR 77 N -4.57 0.97 -4.28 0.00 -1.04 -1.23 -4.91 114.28 99.22 1a5e n THR 77 Ca -0.15 -1.15 -0.35 0.00 -2.04 0.00 0.00 64.05 60.35 1a5e n THR 77 Cb 0.39 0.16 -0.05 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.73 -1.44 -4.57 -4.42 4.77 0.25 -1.88 117.00 108.98 1a5e n LEU 78 Ca 0.08 -1.12 -0.40 0.00 -0.03 0.00 0.00 56.01 54.53 1a5e n LEU 78 Cb 0.64 -1.90 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 1a5e n LEU 78 CO 0.00 0.30 1.53 -0.89 -1.33 0.00 0.00 177.39 177.01 1a5e s THR 79 N -3.59 3.46 0.52 -5.08 2.01 -1.25 -4.17 115.64 107.54 1a5e s THR 79 Ca 0.51 0.38 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 1a5e s THR 79 Cb -0.28 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1a5e s THR 79 CO 0.96 -0.74 1.15 -0.60 -0.69 0.00 0.00 174.62 174.70 1a5e s ARG 80 N 6.32 3.47 0.30 4.92 6.06 -1.26 -3.89 118.95 134.86 1a5e s ARG 80 Ca 0.70 1.68 0.23 0.00 -2.50 0.00 0.00 55.73 55.84 1a5e s ARG 80 Cb -0.16 -2.13 1.11 0.00 0.06 0.00 0.00 34.95 33.82 1a5e s ARG 80 CO 0.26 -0.77 1.70 -0.35 -2.50 0.00 0.00 175.30 173.64 1a5e n PRO 81 N -1.04 0.17 -0.02 5.12 -0.04 -1.26 -1.44 135.00 136.49 1a5e n PRO 81 Ca 0.10 0.54 -0.04 0.00 -0.04 0.00 0.00 63.50 64.06 1a5e n PRO 81 Cb 0.50 -1.93 0.18 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.26 -0.54 0.52 2.07 -1.89 -2.74 116.25 114.92 1a5e h VAL 82 Ca 0.00 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 1a5e h VAL 82 Cb 0.17 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1a5e h VAL 82 CO 0.00 0.40 0.02 0.45 0.02 0.00 0.00 177.57 178.46 1a5e h HIS 83 N 0.51 0.97 -0.21 1.57 3.86 -1.60 -3.03 115.15 117.22 1a5e h HIS 83 Ca 0.08 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1a5e h HIS 83 Cb 0.65 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.81 1a5e h HIS 83 CO 0.02 0.87 -0.08 -0.44 0.86 0.00 0.00 177.93 179.16 1a5e h ASP 84 N 0.85 -0.28 0.39 2.45 5.19 -1.57 1.47 116.42 124.92 1a5e h ASP 84 Ca 0.16 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1a5e h ASP 84 Cb 0.47 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1a5e h ASP 84 CO 0.02 -0.11 -0.28 0.00 -3.12 0.00 0.00 179.24 175.75 1a5e h ALA 85 N 1.15 -1.06 -0.95 3.45 0.00 -1.53 -2.33 119.26 118.00 1a5e h ALA 85 Ca 0.11 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1a5e h ALA 85 Cb 0.21 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1a5e h ALA 85 CO -0.24 -1.05 0.60 0.00 0.00 0.00 0.00 179.25 178.56 1a5e h ALA 86 N -1.40 1.75 -1.01 0.00 0.00 -1.42 -0.40 119.26 116.79 1a5e h ALA 86 Ca -0.05 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 86 Cb 0.53 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1a5e h ALA 86 CO 0.02 -0.03 0.62 0.00 0.00 0.00 0.00 179.25 179.86 1a5e h ARG 87 N 0.76 0.56 -0.57 0.00 2.47 0.26 0.31 114.38 118.16 1a5e h ARG 87 Ca 0.49 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 1a5e h ARG 87 Cb 0.75 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1a5e h ARG 87 CO -0.26 0.37 0.00 -1.91 0.56 0.00 0.00 179.97 178.73 1a5e n GLU 88 N -4.76 2.66 -2.30 0.04 0.00 -0.28 -4.93 120.64 111.07 1a5e n GLU 88 Ca 0.25 -2.43 -0.16 0.00 0.00 0.00 0.00 57.16 54.83 1a5e n GLU 88 Cb 0.73 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 30.68 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a5e n GLY 89 N 1.36 -0.28 3.40 8.31 0.00 0.11 -4.92 105.19 113.17 1a5e n GLY 89 Ca 0.20 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.78 3.82 0.24 1.61 2.19 -0.50 -4.86 117.98 117.70 1a5e s PHE 90 Ca 0.00 -2.29 -0.05 0.00 0.33 0.00 0.00 56.93 54.92 1a5e s PHE 90 Cb -0.00 -4.06 0.38 0.00 -1.31 0.00 0.00 43.02 38.03 1a5e s PHE 90 CO 0.00 -1.18 1.81 1.25 1.83 0.00 0.00 175.22 178.94 1a5e h LEU 91 N 8.30 0.69 -0.60 6.12 7.12 -1.91 -2.30 115.31 132.72 1a5e h LEU 91 Ca 0.22 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.40 1a5e h LEU 91 Cb 0.90 -0.09 -0.12 0.00 -0.53 0.00 0.00 40.66 40.83 1a5e h LEU 91 CO 1.09 0.40 -0.19 0.44 -0.13 0.00 0.00 178.44 180.05 1a5e h ASP 92 N 0.81 -0.69 -0.60 1.25 3.32 -1.98 0.14 116.42 118.67 1a5e h ASP 92 Ca 0.39 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.73 1a5e h ASP 92 Cb 0.33 0.42 -0.07 0.00 0.22 0.00 0.00 39.33 40.23 1a5e h ASP 92 CO -0.24 -0.23 0.22 0.74 -1.72 0.00 0.00 179.24 178.02 1a5e h THR 93 N -0.04 0.77 -0.55 0.35 2.02 -1.73 -1.34 112.91 112.39 1a5e h THR 93 Ca 0.28 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.35 1a5e h THR 93 Cb 0.48 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1a5e h THR 93 CO -0.64 0.07 0.33 -0.07 0.37 0.00 0.00 175.52 175.58 1a5e h LEU 94 N 0.40 0.54 -0.62 2.58 4.07 -0.73 -1.98 115.31 119.57 1a5e h LEU 94 Ca 0.30 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.32 1a5e h LEU 94 Cb 0.38 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1a5e h LEU 94 CO -0.31 0.38 0.33 0.58 -1.08 0.00 0.00 178.44 178.34 1a5e h VAL 95 N 0.66 0.95 0.25 1.22 2.07 -0.11 -1.43 116.25 119.86 1a5e h VAL 95 Ca 0.22 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1a5e h VAL 95 Cb 0.01 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1a5e h VAL 95 CO -0.09 0.11 -0.25 0.58 0.02 0.00 0.00 177.57 177.95 1a5e h VAL 96 N 0.62 0.47 -0.48 2.57 2.07 -0.74 1.32 116.25 122.07 1a5e h VAL 96 Ca 0.28 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.90 1a5e h VAL 96 Cb 0.18 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 1a5e h VAL 96 CO -0.18 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.16 1a5e h LEU 97 N -0.53 -0.61 -0.81 2.57 3.38 -0.87 0.16 115.31 118.59 1a5e h LEU 97 Ca -0.01 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1a5e h LEU 97 Cb 0.49 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1a5e h LEU 97 CO -0.05 -0.21 -0.58 -0.74 0.09 0.00 0.00 178.44 176.95 1a5e h HIS 98 N -0.06 0.04 0.00 1.13 2.76 -0.92 -1.70 115.15 116.40 1a5e h HIS 98 Ca 0.23 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1a5e h HIS 98 Cb 0.42 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1a5e h HIS 98 CO -0.46 0.61 0.00 0.54 -1.30 0.00 0.00 177.93 177.32 1a5e n ARG 99 N -3.85 0.12 0.00 5.26 1.74 0.45 -4.30 116.66 116.08 1a5e n ARG 99 Ca -0.01 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1a5e n ARG 99 Cb 0.59 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a5e n ALA 100 N -1.73 1.37 -3.15 7.54 0.00 -0.75 -5.04 120.51 118.74 1a5e n ALA 100 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1a5e n ALA 100 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.37 -1.27 -0.24 0.00 0.00 -0.68 -5.10 107.32 98.67 1a5e s GLY 101 Ca 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 45.43 1a5e s GLY 101 CO 0.00 3.75 0.30 0.00 0.00 0.00 0.00 173.10 177.15 1a5e s ALA 102 N 2.31 -0.66 0.38 3.20 0.00 -1.07 -4.51 121.76 121.41 1a5e s ALA 102 Ca 0.14 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.22 1a5e s ALA 102 Cb -0.06 -1.59 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 1a5e s ALA 102 CO -0.16 -1.36 1.20 0.50 0.00 0.00 0.00 175.76 175.94 1a5e s ARG 103 N 2.43 4.11 -0.25 0.00 3.52 -1.26 -4.63 118.95 122.87 1a5e s ARG 103 Ca 0.10 1.93 0.11 0.00 -0.13 0.00 0.00 55.73 57.73 1a5e s ARG 103 Cb -0.15 -2.77 0.45 0.00 -1.56 0.00 0.00 34.95 30.93 1a5e s ARG 103 CO -0.19 -0.29 1.19 1.28 -0.81 0.00 0.00 175.30 176.48 1a5e n LEU 104 N 0.24 3.82 -1.46 -0.88 4.32 -1.26 -4.73 117.00 117.06 1a5e n LEU 104 Ca 0.03 -4.22 -0.04 0.00 -0.02 0.00 0.00 56.01 51.76 1a5e n LEU 104 Cb 0.45 -0.28 0.10 0.00 -1.62 0.00 0.00 43.42 42.08 1a5e n LEU 104 CO 0.53 1.74 0.21 0.47 -1.22 0.00 0.00 177.39 179.11 1a5e n ASP 105 N -0.74 2.52 -4.98 -1.43 9.92 -1.26 -3.98 116.55 116.60 1a5e n ASP 105 Ca 0.32 -3.29 -0.20 0.00 -0.53 0.00 0.00 54.79 51.09 1a5e n ASP 105 Cb 0.89 -0.43 0.02 0.00 -0.64 0.00 0.00 41.12 40.96 1a5e n ASP 105 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1a5e s VAL 106 N -3.15 2.51 0.08 2.53 0.11 -1.26 -5.10 120.40 116.12 1a5e s VAL 106 Ca 0.40 -1.13 0.08 0.00 -2.93 0.00 0.00 61.98 58.40 1a5e s VAL 106 Cb 0.38 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1a5e s VAL 106 CO -0.05 0.00 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.38 1a5e s ARG 107 N -4.39 1.22 -0.72 1.54 3.00 -1.26 -4.52 118.95 113.82 1a5e s ARG 107 Ca 0.53 -1.08 -0.16 0.00 0.00 0.00 0.00 55.73 55.02 1a5e s ARG 107 Cb -0.06 -1.43 -0.13 0.00 0.00 0.00 0.00 34.95 33.33 1a5e s ARG 107 CO 0.32 0.34 1.90 -3.47 0.00 0.00 0.00 175.30 174.40 1a5e n ASP 108 N 1.36 3.02 0.00 0.23 2.03 -0.05 -4.61 116.55 118.53 1a5e n ASP 108 Ca -0.19 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1a5e n ASP 108 Cb 0.53 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a5e n ALA 109 N 6.39 0.00 -1.00 -1.67 0.00 -0.79 -4.28 120.51 119.16 1a5e n ALA 109 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1a5e n ALA 109 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 0.00 -1.54 0.00 8.01 -1.26 -4.94 117.44 117.71 1a5e n TRP 110 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1a5e n TRP 110 Cb 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.29 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 1.20 0.42 3.76 6.99 0.00 -1.26 -5.01 105.19 111.29 1a5e n GLY 111 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1a5e n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 112 N 0.00 4.53 0.35 1.61 0.52 -1.26 -4.79 118.95 119.90 1a5e s ARG 112 Ca 0.00 1.12 0.07 0.00 -0.52 0.00 0.00 55.73 56.40 1a5e s ARG 112 Cb 0.00 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 1a5e s ARG 112 CO 0.00 0.40 0.34 -0.51 0.02 0.00 0.00 175.30 175.55 1a5e s LEU 113 N -0.50 3.64 0.14 2.53 2.01 -1.26 -0.87 118.68 124.37 1a5e s LEU 113 Ca 0.38 -0.47 -0.09 0.00 0.01 0.00 0.00 54.13 53.95 1a5e s LEU 113 Cb -0.22 -2.30 -0.05 0.00 0.01 0.00 0.00 46.19 43.63 1a5e s LEU 113 CO 0.25 -0.42 1.41 1.55 1.01 0.00 0.00 176.35 180.15 1a5e h PRO 114 N 1.14 0.77 -0.41 1.29 0.13 -1.88 -3.19 132.00 129.85 1a5e h PRO 114 Ca -0.44 -0.52 -0.07 0.00 -0.87 0.00 0.00 66.00 64.10 1a5e h PRO 114 Cb 1.26 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1a5e h PRO 114 CO 0.57 1.14 -0.02 -0.24 -0.23 0.00 0.00 178.00 179.22 1a5e h VAL 115 N 0.58 1.23 -0.22 1.56 3.04 -1.90 -3.12 116.25 117.42 1a5e h VAL 115 Ca -0.00 -0.95 -0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1a5e h VAL 115 Cb 1.19 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1a5e h VAL 115 CO 0.12 0.33 0.13 -0.78 -1.01 0.00 0.00 177.57 176.36 1a5e h ASP 116 N 0.63 0.26 -0.40 3.17 3.58 -1.91 -3.04 116.42 118.70 1a5e h ASP 116 Ca 0.13 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.59 1a5e h ASP 116 Cb 0.43 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.34 1a5e h ASP 116 CO 0.02 0.25 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.49 1a5e h LEU 117 N 0.26 -0.30 -0.32 2.28 3.38 -1.59 -1.70 115.31 117.31 1a5e h LEU 117 Ca 0.08 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1a5e h LEU 117 Cb 0.03 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1a5e h LEU 117 CO -0.01 -0.10 -0.10 0.00 0.09 0.00 0.00 178.44 178.32 1a5e h ALA 118 N 1.39 0.19 0.00 1.53 0.00 -1.58 0.46 119.26 121.24 1a5e h ALA 118 Ca 0.20 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1a5e h ALA 118 Cb 0.30 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1a5e h ALA 118 CO -0.39 -0.48 -0.12 0.93 0.00 0.00 0.00 179.25 179.19 1a5e h GLU 119 N -0.02 -0.20 0.75 0.00 5.08 -1.31 -1.11 114.58 117.77 1a5e h GLU 119 Ca 0.16 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1a5e h GLU 119 Cb 0.26 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1a5e h GLU 119 CO -0.34 -0.14 -0.36 1.49 -1.00 0.00 0.00 179.01 178.66 1a5e h GLU 120 N -0.21 -0.97 0.00 2.33 4.81 -0.78 -3.38 114.58 116.38 1a5e h GLU 120 Ca 0.04 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1a5e h GLU 120 Cb 0.27 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1a5e h GLU 120 CO -0.12 -0.63 0.00 1.28 -0.73 0.00 0.00 179.01 178.81 1a5e n LEU 121 N -5.50 0.00 0.00 1.64 4.32 0.16 -4.95 117.00 112.67 1a5e n LEU 121 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1a5e n LEU 121 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1a5e n LEU 121 CO 0.37 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1a5e n GLY 122 N 0.00 0.00 2.76 -0.72 0.00 -0.56 -5.03 105.19 101.63 1a5e n GLY 122 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.18 -0.34 1.61 8.25 -0.53 -4.80 115.22 122.58 1a5e n HIS 123 Ca 0.00 -2.77 0.25 0.00 -0.26 0.00 0.00 57.72 54.93 1a5e n HIS 123 Cb 0.00 -0.84 0.52 0.00 1.12 0.00 0.00 29.99 30.80 1a5e n HIS 123 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1a5e h ARG 124 N 3.16 0.34 -0.55 -0.41 0.11 -1.93 0.89 114.38 115.98 1a5e h ARG 124 Ca 0.44 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.54 1a5e h ARG 124 Cb 0.36 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 31.33 1a5e h ARG 124 CO 1.16 0.22 0.32 -0.44 0.10 0.00 0.00 179.97 181.34 1a5e h ASP 125 N 0.35 0.50 0.19 0.08 5.19 -1.95 0.43 116.42 121.21 1a5e h ASP 125 Ca 0.64 0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.81 1a5e h ASP 125 Cb 1.67 -0.09 0.03 0.00 0.18 0.00 0.00 39.33 41.12 1a5e h ASP 125 CO -0.34 0.35 -1.11 0.58 -3.12 0.00 0.00 179.24 175.60 1a5e h VAL 126 N 0.63 1.40 -0.71 -1.35 2.07 -0.29 -2.94 116.25 115.06 1a5e h VAL 126 Ca 0.23 -2.60 0.12 0.00 0.82 0.00 0.00 66.70 65.28 1a5e h VAL 126 Cb 0.06 3.13 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 1a5e h VAL 126 CO -0.12 0.76 0.27 0.00 0.02 0.00 0.00 177.57 178.50 1a5e h ALA 127 N 0.10 0.97 0.41 1.67 0.00 0.69 0.73 119.26 123.83 1a5e h ALA 127 Ca -0.20 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1a5e h ALA 127 Cb 1.86 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1a5e h ALA 127 CO 0.20 -0.20 -0.20 -0.09 0.00 0.00 0.00 179.25 178.96 1a5e h ARG 128 N 0.44 -0.53 -0.98 0.00 2.43 -1.00 -0.43 114.38 114.31 1a5e h ARG 128 Ca 0.38 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.84 1a5e h ARG 128 Cb 0.54 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.08 1a5e h ARG 128 CO -0.37 -0.35 0.54 -0.92 -1.51 0.00 0.00 179.97 177.36 1a5e h TYR 129 N -0.69 0.91 0.43 2.20 5.03 -1.30 -0.83 116.97 122.71 1a5e h TYR 129 Ca -0.06 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1a5e h TYR 129 Cb 0.42 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.46 1a5e h TYR 129 CO 0.08 -0.02 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.62 1a5e h LEU 130 N 0.48 -0.49 -1.65 2.82 3.38 0.56 -1.96 115.31 118.45 1a5e h LEU 130 Ca 0.65 -0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.85 1a5e h LEU 130 Cb 1.29 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 1a5e h LEU 130 CO -0.52 -0.23 0.96 -0.09 0.09 0.00 0.00 178.44 178.66 1a5e h ARG 131 N -0.74 0.00 0.00 1.13 2.43 0.42 1.28 114.38 118.90 1a5e h ARG 131 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1a5e h ARG 131 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1a5e h ARG 131 CO 0.10 0.00 -0.25 0.00 -1.51 0.00 0.00 179.97 178.30 1a5e h ALA 132 N 1.05 0.00 0.00 2.80 0.00 -1.24 -3.12 119.26 118.76 1a5e h ALA 132 Ca 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a5e h ALA 132 Cb 2.41 0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.46 1a5e h ALA 132 CO -0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1a5e n ALA 133 N -3.03 1.76 0.52 0.00 0.00 -0.77 -1.88 120.51 117.10 1a5e n ALA 133 Ca -0.04 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1a5e n ALA 133 Cb 0.13 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.43 1a5e n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 134 N -1.30 2.46 0.00 0.00 0.00 0.44 -4.10 120.51 118.00 1a5e n ALA 134 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1a5e n ALA 134 Cb 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.78 -1.98 1.44 0.00 0.00 -0.81 -4.54 105.19 100.08 1a5e n GLY 135 Ca 0.09 0.95 -0.07 0.00 0.00 0.00 0.00 46.02 46.98 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 2.87 0.36 -0.02 0.00 -0.79 -4.03 105.19 103.59 1a5e n GLY 136 Ca 0.00 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.10 0.00 -4.96 2.61 -2.24 -1.26 -5.04 114.28 103.29 1a5e n THR 137 Ca 0.23 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1a5e n THR 137 Cb 0.94 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1a5e n THR 137 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1a5e n ARG 138 N -0.24 0.00 0.00 -0.78 1.74 -1.26 -4.39 116.66 111.73 1a5e n ARG 138 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1a5e n ARG 138 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 1a5e n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5e n GLY 139 N 0.00 -1.79 0.00 -0.13 0.00 -1.26 -4.93 105.19 97.07 1a5e n GLY 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a5e n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5e n SER 140 N 0.00 0.00 -4.08 1.61 3.41 -1.26 -5.08 113.62 108.22 1a5e n SER 140 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1a5e n SER 140 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1a5e n SER 140 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1a5e s ASN 141 N -1.00 3.40 0.00 4.04 3.84 -1.26 -4.92 114.94 119.03 1a5e s ASN 141 Ca 0.00 -0.82 0.00 0.00 0.21 0.00 0.00 52.86 52.25 1a5e s ASN 141 Cb 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 41.25 39.28 1a5e s ASN 141 CO 0.00 -0.07 0.00 1.57 -2.79 0.00 0.00 177.10 175.81 1a5e n HIS 142 N 4.61 -1.69 0.00 0.43 -0.00 -1.26 -5.13 115.22 112.17 1a5e n HIS 142 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1a5e n HIS 142 Cb 0.48 0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.70 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 -2.06 0.00 -1.61 1.57 0.00 -1.26 -4.90 120.51 112.25 1a5e n ALA 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a5e n ALA 143 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a5e n ALA 143 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1a5e n ARG 144 N 0.00 -4.52 -3.42 0.00 0.63 -1.26 -4.81 116.66 103.28 1a5e n ARG 144 Ca 0.00 3.40 -0.42 0.00 -0.92 0.00 0.00 57.85 59.91 1a5e n ARG 144 Cb 0.00 -3.95 -0.10 0.00 0.45 0.00 0.00 32.46 28.87 1a5e n ARG 144 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1a5e s ILE 145 N -4.04 5.20 -0.84 5.15 1.10 -1.26 -4.98 121.20 121.53 1a5e s ILE 145 Ca 0.00 -0.32 -0.21 0.00 -0.51 0.00 0.00 60.65 59.61 1a5e s ILE 145 Cb 0.00 -3.89 -0.20 0.00 0.15 0.00 0.00 42.46 38.52 1a5e s ILE 145 CO 0.00 -0.23 2.38 0.47 -2.11 0.00 0.00 174.94 175.45 1a5e n ASP 146 N 5.32 0.64 -4.69 4.50 8.00 -1.26 -4.77 116.55 124.29 1a5e n ASP 146 Ca -0.10 -0.77 -0.62 0.00 0.71 0.00 0.00 54.79 54.02 1a5e n ASP 146 Cb 0.48 -1.18 -0.09 0.00 -0.02 0.00 0.00 41.12 40.31 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5e n ALA 147 N 12.88 -0.57 -1.60 2.24 0.00 -1.26 -4.78 120.51 127.42 1a5e n ALA 147 Ca 0.55 0.40 -0.49 0.00 0.00 0.00 0.00 53.44 53.90 1a5e n ALA 147 Cb 0.30 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 1a5e n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 148 N 5.14 -0.53 0.42 0.00 0.00 -1.26 -4.87 120.51 119.41 1a5e n ALA 148 Ca 0.30 0.48 0.05 0.00 0.00 0.00 0.00 53.44 54.27 1a5e n ALA 148 Cb 0.05 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.44 1a5e n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a5e n GLU 149 N 2.18 0.87 0.00 0.00 2.13 -1.26 -5.07 120.64 119.49 1a5e n GLU 149 Ca 0.16 -0.96 0.00 0.00 0.66 0.00 0.00 57.16 57.02 1a5e n GLU 149 Cb 0.23 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.79 1a5e n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a5e n GLY 150 N 0.65 2.72 3.60 8.31 0.00 -1.26 -4.79 105.19 114.41 1a5e n GLY 150 Ca 0.05 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.86 3.43 0.00 1.61 0.04 -1.26 -3.04 135.00 130.92 1a5e s PRO 151 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1a5e s PRO 151 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1a5e s PRO 151 CO 0.00 -1.74 0.00 0.45 0.04 0.00 0.00 177.00 175.75 1a5e n SER 152 N 9.63 -1.19 -0.68 6.66 2.88 -1.26 -4.82 113.62 124.84 1a5e n SER 152 Ca 0.20 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.81 1a5e n SER 152 Cb 0.47 -1.80 -0.02 0.00 -0.75 0.00 0.00 64.21 62.11 1a5e n SER 152 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1a5e n ASP 153 N -0.16 -4.06 -3.60 -3.46 8.00 -1.17 -4.72 116.55 107.39 1a5e n ASP 153 Ca 0.00 0.58 -0.29 0.00 0.71 0.00 0.00 54.79 55.79 1a5e n ASP 153 Cb 0.08 -1.82 -0.14 0.00 -0.02 0.00 0.00 41.12 39.23 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 -1.18 0.58 -0.00 0.53 1.09 -1.26 -5.11 121.20 115.84 1a5e s ILE 154 Ca 0.00 -1.67 -0.30 0.00 -1.10 0.00 0.00 60.65 57.58 1a5e s ILE 154 Cb 0.00 -1.43 -0.04 0.00 -1.06 0.00 0.00 42.46 39.93 1a5e s ILE 154 CO 0.00 -0.85 1.23 -2.16 -0.10 0.00 0.00 174.94 173.06 1a5e s PRO 155 N 1.22 4.37 0.00 2.79 0.04 -1.26 -5.27 135.00 136.89 1a5e s PRO 155 Ca 0.14 1.75 0.17 0.00 0.04 0.00 0.00 61.00 63.10 1a5e s PRO 155 Cb -0.21 -3.48 0.13 0.00 0.04 0.00 0.00 34.50 30.98 1a5e s PRO 155 CO -0.12 -0.39 1.04 -0.25 0.04 0.00 0.00 177.00 177.31