#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 2.54 -1.05 2.12 0.41 -1.26 -5.04 118.70 116.43 1a5e s GLU 2 Ca 0.00 -0.82 -0.23 0.00 -0.41 0.00 0.00 54.97 53.51 1a5e s GLU 2 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1a5e s GLU 2 CO 0.00 0.55 1.71 -1.25 -0.49 0.00 0.00 175.26 175.78 1a5e s PRO 3 N -2.18 3.18 -0.65 0.39 0.04 -1.26 -4.83 135.00 129.69 1a5e s PRO 3 Ca 0.24 -1.00 0.04 0.00 0.04 0.00 0.00 61.00 60.33 1a5e s PRO 3 Cb -0.12 -5.28 0.32 0.00 0.04 0.00 0.00 34.50 29.46 1a5e s PRO 3 CO 0.17 -2.82 1.01 0.00 0.04 0.00 0.00 177.00 175.40 1a5e n ALA 4 N 11.13 4.71 -2.74 8.56 0.00 -1.26 -4.83 120.51 136.09 1a5e n ALA 4 Ca 0.39 -4.72 -0.08 0.00 0.00 0.00 0.00 53.44 49.03 1a5e n ALA 4 Cb 0.48 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 19.04 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 5 N 0.05 -1.37 0.00 0.00 0.00 -1.26 -5.12 120.51 112.81 1a5e n ALA 5 Ca 0.32 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1a5e n ALA 5 Cb 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.22 3.41 0.20 0.00 0.00 -1.26 -5.00 105.19 103.77 1a5e n GLY 6 Ca 0.07 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 1.92 -3.65 1.61 3.41 -1.26 -5.01 113.62 110.64 1a5e n SER 7 Ca 0.00 -2.98 -0.10 0.00 -0.26 0.00 0.00 58.87 55.53 1a5e n SER 7 Cb 0.00 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 1a5e n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a5e s SER 8 N -2.62 -0.79 0.23 4.04 0.01 -1.26 -5.14 113.70 108.17 1a5e s SER 8 Ca 0.28 1.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.61 1a5e s SER 8 Cb 0.25 1.31 -0.09 0.00 0.21 0.00 0.00 66.02 67.69 1a5e s SER 8 CO 0.01 -0.23 1.36 -0.32 0.41 0.00 0.00 173.24 174.48 1a5e s MET 9 N 1.07 4.34 0.36 12.44 1.75 -1.26 -4.94 119.30 133.06 1a5e s MET 9 Ca -0.06 2.17 -0.28 0.00 -1.25 0.00 0.00 55.69 56.27 1a5e s MET 9 Cb -0.05 -3.15 -0.11 0.00 2.84 0.00 0.00 34.83 34.36 1a5e s MET 9 CO -0.10 -0.31 1.50 -1.83 -0.65 0.00 0.00 175.02 173.62 1a5e s GLU 10 N -0.37 4.13 -0.94 4.11 -1.05 -1.26 -4.85 118.70 118.47 1a5e s GLU 10 Ca 0.57 2.55 -0.24 0.00 -0.15 0.00 0.00 54.97 57.70 1a5e s GLU 10 Cb -0.39 -2.99 -0.03 0.00 -0.44 0.00 0.00 34.13 30.28 1a5e s GLU 10 CO 0.42 -0.53 1.86 -1.25 0.95 0.00 0.00 175.26 176.70 1a5e s PRO 11 N -1.76 2.74 -0.78 -4.83 0.04 -1.26 -4.88 135.00 124.27 1a5e s PRO 11 Ca 0.55 -0.48 -0.26 0.00 0.04 0.00 0.00 61.00 60.85 1a5e s PRO 11 Cb -0.46 -5.12 -0.17 0.00 0.04 0.00 0.00 34.50 28.78 1a5e s PRO 11 CO 0.60 -3.19 2.49 0.45 0.04 0.00 0.00 177.00 177.39 1a5e n SER 12 N 13.07 1.01 -4.53 6.66 2.88 -1.26 -4.73 113.62 126.73 1a5e n SER 12 Ca 0.39 -0.38 -0.30 0.00 -1.33 0.00 0.00 58.87 57.25 1a5e n SER 12 Cb 0.48 -1.21 -0.11 0.00 -0.75 0.00 0.00 64.21 62.62 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 12.95 0.61 0.00 -1.46 0.00 -1.26 -4.49 120.51 126.86 1a5e n ALA 13 Ca 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1a5e n ALA 13 Cb 0.29 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5e n ASP 14 N 13.23 0.60 -0.06 0.00 5.68 -1.26 -4.71 116.55 130.03 1a5e n ASP 14 Ca 0.53 -0.03 -0.08 0.00 -0.50 0.00 0.00 54.79 54.71 1a5e n ASP 14 Cb 0.31 0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1a5e h TRP 15 N 0.00 -0.50 -0.67 2.11 6.55 -1.98 0.27 115.95 121.73 1a5e h TRP 15 Ca 0.00 0.04 0.20 0.00 0.95 0.00 0.00 58.89 60.07 1a5e h TRP 15 Cb 0.00 0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 28.53 1a5e h TRP 15 CO 0.00 -0.27 0.60 1.37 -1.05 0.00 0.00 178.44 179.09 1a5e h LEU 16 N -0.18 0.00 0.13 -4.49 8.10 -1.93 0.47 115.31 117.41 1a5e h LEU 16 Ca 0.14 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.90 1a5e h LEU 16 Cb 0.40 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.63 1a5e h LEU 16 CO -0.37 0.00 -1.11 0.00 -4.11 0.00 0.00 178.44 172.85 1a5e h ALA 17 N 1.44 0.02 -0.35 0.17 0.00 -0.85 -2.97 119.26 116.72 1a5e h ALA 17 Ca 0.32 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1a5e h ALA 17 Cb 1.51 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1a5e h ALA 17 CO -0.00 0.59 0.02 1.79 0.00 0.00 0.00 179.25 181.64 1a5e h THR 18 N -0.33 1.25 -0.46 0.00 1.35 0.10 -1.85 112.91 112.98 1a5e h THR 18 Ca -0.22 -0.93 0.02 0.00 -0.55 0.00 0.00 66.41 64.74 1a5e h THR 18 Cb 1.71 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 1a5e h THR 18 CO 0.11 0.31 0.26 0.00 -0.25 0.00 0.00 175.52 175.96 1a5e h ALA 19 N 0.87 0.58 -0.58 6.62 0.00 -0.32 -1.21 119.26 125.23 1a5e h ALA 19 Ca 0.10 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a5e h ALA 19 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1a5e h ALA 19 CO 0.01 -0.06 0.35 0.00 0.00 0.00 0.00 179.25 179.56 1a5e h ALA 20 N 1.21 0.75 -0.00 0.00 0.00 -1.36 0.52 119.26 120.38 1a5e h ALA 20 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1a5e h ALA 20 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1a5e h ALA 20 CO -0.09 0.08 -0.18 0.00 0.00 0.00 0.00 179.25 179.06 1a5e h ALA 21 N 1.26 1.70 -0.60 0.00 0.00 -0.70 1.22 119.26 122.13 1a5e h ALA 21 Ca 0.24 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1a5e h ALA 21 Cb 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1a5e h ALA 21 CO -0.10 0.23 0.14 0.54 0.00 0.00 0.00 179.25 180.05 1a5e n ARG 22 N -4.32 3.91 -3.64 0.00 5.12 -0.51 -4.31 116.66 112.90 1a5e n ARG 22 Ca -0.02 -2.76 -0.30 0.00 -1.93 0.00 0.00 57.85 52.84 1a5e n ARG 22 Cb 0.24 -2.15 0.04 0.00 -1.16 0.00 0.00 32.46 29.44 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a5e n GLY 23 N 0.20 -1.02 2.46 -0.13 0.00 -0.72 -4.93 105.19 101.04 1a5e n GLY 23 Ca 0.31 0.47 -0.26 0.00 0.00 0.00 0.00 46.02 46.54 1a5e n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 24 N -4.01 2.27 0.15 1.61 3.00 0.08 -4.94 116.66 114.82 1a5e n ARG 24 Ca -0.09 -4.40 -0.16 0.00 -0.00 0.00 0.00 57.85 53.20 1a5e n ARG 24 Cb 0.59 -2.05 -0.09 0.00 0.00 0.00 0.00 32.46 30.92 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1a5e h VAL 25 N 2.83 0.07 -0.98 5.15 2.07 -1.92 -1.49 116.25 121.99 1a5e h VAL 25 Ca 0.16 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.01 1a5e h VAL 25 Cb 0.69 0.07 -0.16 0.00 -1.52 0.00 0.00 31.29 30.36 1a5e h VAL 25 CO 0.75 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 178.45 1a5e h GLU 26 N -0.77 0.17 -0.21 1.57 5.08 -1.99 0.51 114.58 118.96 1a5e h GLU 26 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1a5e h GLU 26 Cb 0.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1a5e h GLU 26 CO -0.23 0.12 -0.01 1.49 -1.00 0.00 0.00 179.01 179.38 1a5e h GLU 27 N 0.18 0.37 -0.32 2.33 4.57 -1.71 -3.02 114.58 116.99 1a5e h GLU 27 Ca 0.72 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.62 1a5e h GLU 27 Cb 1.67 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.23 1a5e h GLU 27 CO -0.70 0.58 -0.39 0.28 -1.18 0.00 0.00 179.01 177.60 1a5e h VAL 28 N 0.13 1.28 -0.67 0.32 2.07 0.21 -1.09 116.25 118.50 1a5e h VAL 28 Ca 0.06 -1.57 0.13 0.00 0.82 0.00 0.00 66.70 66.14 1a5e h VAL 28 Cb 0.41 1.53 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 1a5e h VAL 28 CO 0.01 0.51 0.18 0.03 0.02 0.00 0.00 177.57 178.32 1a5e h ARG 29 N 0.62 0.29 0.06 1.57 2.47 -0.17 0.43 114.38 119.65 1a5e h ARG 29 Ca 0.04 -0.02 -0.19 0.00 -1.26 0.00 0.00 59.98 58.55 1a5e h ARG 29 Cb 0.98 -0.07 0.02 0.00 -1.65 0.00 0.00 29.97 29.26 1a5e h ARG 29 CO 0.09 0.19 -0.79 0.00 0.56 0.00 0.00 179.97 180.02 1a5e h ALA 30 N 1.53 0.01 0.26 0.04 0.00 -1.51 -3.09 119.26 116.50 1a5e h ALA 30 Ca 0.36 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1a5e h ALA 30 Cb 0.57 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1a5e h ALA 30 CO -0.43 0.43 -0.22 -0.07 0.00 0.00 0.00 179.25 178.95 1a5e h LEU 31 N -0.10 -0.58 -0.71 0.00 3.38 -0.48 0.37 115.31 117.20 1a5e h LEU 31 Ca -0.12 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.01 1a5e h LEU 31 Cb 1.53 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.39 1a5e h LEU 31 CO 0.15 -0.33 0.31 -0.07 0.09 0.00 0.00 178.44 178.59 1a5e h LEU 32 N -0.49 0.34 -0.89 1.67 3.38 -0.29 0.51 115.31 119.54 1a5e h LEU 32 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a5e h LEU 32 Cb 0.44 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1a5e h LEU 32 CO -0.03 0.18 0.00 -0.33 0.09 0.00 0.00 178.44 178.35 1a5e h GLU 33 N 0.50 0.00 -0.00 1.13 5.08 -1.36 -2.23 114.58 117.70 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 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a5e h GLU 33 CO -0.33 0.00 -0.30 0.00 -1.00 0.00 0.00 179.01 177.38 1a5e n ALA 34 N -1.86 3.08 0.00 3.43 0.00 0.17 -4.88 120.51 120.46 1a5e n ALA 34 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1a5e n ALA 34 Cb 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.49 1.95 3.75 0.00 0.00 -0.84 -5.07 105.19 106.47 1a5e n GLY 35 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.71 -0.31 4.61 0.00 -0.89 -4.93 121.76 121.96 1a5e s ALA 36 Ca 0.00 1.50 -0.26 0.00 0.00 0.00 0.00 51.96 53.19 1a5e s ALA 36 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1a5e s ALA 36 CO 0.00 -0.91 0.93 -1.17 0.00 0.00 0.00 175.76 174.61 1a5e s LEU 37 N -0.42 4.02 0.09 0.00 2.96 -1.26 -4.85 118.68 119.23 1a5e s LEU 37 Ca 0.62 0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 55.25 1a5e s LEU 37 Cb -0.46 -3.31 -0.12 0.00 0.50 0.00 0.00 46.19 42.80 1a5e s LEU 37 CO 0.46 -0.74 1.35 1.55 -1.32 0.00 0.00 176.35 177.64 1a5e h PRO 38 N 8.08 0.72 -1.93 0.98 0.13 -1.92 -3.22 132.00 134.85 1a5e h PRO 38 Ca -0.22 -0.48 -0.49 0.00 -0.87 0.00 0.00 66.00 63.94 1a5e h PRO 38 Cb 1.08 0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 1a5e h PRO 38 CO 0.96 1.11 0.41 0.09 -0.23 0.00 0.00 178.00 180.33 1a5e n ASN 39 N -4.13 6.51 -4.60 1.44 5.03 -1.26 -4.46 115.26 113.78 1a5e n ASN 39 Ca -0.06 -3.21 -0.40 0.00 0.87 0.00 0.00 54.58 51.78 1a5e n ASN 39 Cb 0.59 -1.21 -0.08 0.00 -1.02 0.00 0.00 39.78 38.07 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 -1.79 3.55 -0.79 5.41 0.00 -1.22 -5.00 121.76 121.92 1a5e s ALA 40 Ca 0.56 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 1a5e s ALA 40 Cb 0.37 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1a5e s ALA 40 CO -0.20 -0.87 1.75 -1.25 0.00 0.00 0.00 175.76 175.19 1a5e s PRO 41 N 2.32 2.82 1.03 0.00 0.04 -1.26 -4.80 135.00 135.14 1a5e s PRO 41 Ca 0.20 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.98 1a5e s PRO 41 Cb -0.16 -4.74 0.23 0.00 0.04 0.00 0.00 34.50 29.88 1a5e s PRO 41 CO 0.10 -2.81 1.31 -0.80 0.04 0.00 0.00 177.00 174.85 1a5e s ASN 42 N 7.00 2.54 -0.17 6.66 -0.87 -1.26 -4.94 114.94 123.91 1a5e s ASN 42 Ca 0.61 0.24 0.06 0.00 -1.57 0.00 0.00 52.86 52.19 1a5e s ASN 42 Cb -0.08 -0.24 0.43 0.00 -0.02 0.00 0.00 41.25 41.34 1a5e s ASN 42 CO 0.08 -3.09 1.29 -0.24 -2.57 0.00 0.00 177.10 172.57 1a5e n SER 43 N -4.00 3.55 -0.00 -1.22 2.88 -1.26 -3.84 113.62 109.74 1a5e n SER 43 Ca 0.16 -2.63 0.03 0.00 -1.33 0.00 0.00 58.87 55.11 1a5e n SER 43 Cb 0.59 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 1a5e n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e n TYR 44 N 0.11 0.00 -3.22 0.66 4.19 -1.26 -5.01 117.16 112.64 1a5e n TYR 44 Ca 0.21 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.19 1a5e n TYR 44 Cb 0.89 -0.14 0.05 0.00 0.49 0.00 0.00 39.34 40.63 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 2.02 -0.49 1.02 2.98 0.00 -1.25 -4.89 105.19 104.58 1a5e n GLY 45 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.30 1.56 -0.76 1.61 1.74 -1.26 -4.82 116.66 110.43 1a5e n ARG 46 Ca -0.06 -3.19 0.09 0.00 -0.77 0.00 0.00 57.85 53.92 1a5e n ARG 46 Cb 0.59 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 1a5e n ARG 46 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a5e n ARG 47 N -0.75 -1.41 0.21 5.56 5.12 -1.26 -1.23 116.66 122.90 1a5e n ARG 47 Ca 0.19 0.96 0.12 0.00 -1.93 0.00 0.00 57.85 57.20 1a5e n ARG 47 Cb 0.81 -1.78 0.20 0.00 -1.16 0.00 0.00 32.46 30.53 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1a5e h PRO 48 N -0.78 0.00 0.00 5.56 0.13 -1.87 -3.33 132.00 131.71 1a5e h PRO 48 Ca -0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1a5e h PRO 48 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1a5e h PRO 48 CO 0.01 0.00 -1.82 -0.89 -0.23 0.00 0.00 178.00 175.07 1a5e n ILE 49 N -3.04 0.82 0.18 -3.56 5.41 -1.26 -4.30 119.36 113.61 1a5e n ILE 49 Ca 0.04 -0.28 0.17 0.00 1.00 0.00 0.00 62.75 63.68 1a5e n ILE 49 Cb 0.52 -1.20 0.68 0.00 -0.71 0.00 0.00 39.64 38.92 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 -0.15 0.00 -0.40 0.38 4.15 -1.65 0.96 115.11 118.40 1a5e h GLN 50 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1a5e h GLN 50 Cb 1.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1a5e h GLN 50 CO -0.10 0.00 0.00 1.55 -1.93 0.00 0.00 178.83 178.35 1a5e n VAL 51 N -3.23 0.53 -3.35 2.39 3.14 -0.36 -4.95 118.33 112.50 1a5e n VAL 51 Ca 0.04 -0.77 -0.34 0.00 -2.96 0.00 0.00 64.34 60.32 1a5e n VAL 51 Cb 0.64 0.96 -0.06 0.00 -1.06 0.00 0.00 33.84 34.33 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 -1.43 3.95 -0.41 1.45 0.23 0.33 -2.50 119.30 120.92 1a5e s MET 52 Ca 0.38 0.46 -0.31 0.00 -1.03 0.00 0.00 55.69 55.20 1a5e s MET 52 Cb 0.22 -2.83 -0.10 0.00 -1.53 0.00 0.00 34.83 30.60 1a5e s MET 52 CO 0.31 0.41 2.30 -1.33 -2.03 0.00 0.00 175.02 174.68 1a5e n MET 53 N 0.49 1.19 0.00 3.16 2.81 0.41 -4.74 117.12 120.44 1a5e n MET 53 Ca -0.03 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1a5e n MET 53 Cb 0.52 -2.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.23 1a5e n MET 53 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1a5e n MET 54 N 8.56 0.00 -0.05 0.03 2.00 -1.26 -1.04 117.12 125.36 1a5e n MET 54 Ca 0.40 0.42 0.01 0.00 0.00 0.00 0.00 57.70 58.52 1a5e n MET 54 Cb 0.34 -1.51 0.03 0.00 0.00 0.00 0.00 33.22 32.09 1a5e n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1a5e n GLY 55 N -1.41 -0.29 2.62 3.03 0.00 -1.26 -4.41 105.19 103.46 1a5e n GLY 55 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.86 1.69 0.49 1.61 0.01 -0.21 -4.98 113.70 111.46 1a5e s SER 56 Ca 0.05 -1.96 0.16 0.00 1.31 0.00 0.00 55.95 55.52 1a5e s SER 56 Cb 0.03 0.19 1.18 0.00 0.21 0.00 0.00 66.02 67.63 1a5e s SER 56 CO 0.03 -0.26 2.08 0.00 0.41 0.00 0.00 173.24 175.51 1a5e h ALA 57 N 6.81 1.83 -0.94 1.44 0.00 -1.82 -1.71 119.26 124.87 1a5e h ALA 57 Ca 0.08 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.19 1a5e h ALA 57 Cb 1.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1a5e h ALA 57 CO 0.23 0.10 0.69 0.00 0.00 0.00 0.00 179.25 180.27 1a5e h ARG 58 N 0.00 0.00 0.14 0.00 -0.00 -1.95 0.02 114.38 112.59 1a5e h ARG 58 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1a5e h ARG 58 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1a5e h ARG 58 CO 0.01 0.00 -0.07 0.28 0.00 0.00 0.00 179.97 180.19 1a5e h VAL 59 N 0.00 0.75 -0.60 2.04 2.07 -1.68 -2.71 116.25 116.12 1a5e h VAL 59 Ca 0.45 -1.21 0.12 0.00 0.82 0.00 0.00 66.70 66.88 1a5e h VAL 59 Cb 1.82 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 32.80 1a5e h VAL 59 CO -0.00 0.21 0.04 0.00 0.02 0.00 0.00 177.57 177.84 1a5e h ALA 60 N -0.46 0.63 -0.69 1.67 0.00 -1.25 0.13 119.26 119.30 1a5e h ALA 60 Ca -0.02 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1a5e h ALA 60 Cb 0.49 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1a5e h ALA 60 CO 0.03 -0.37 0.32 1.49 0.00 0.00 0.00 179.25 180.72 1a5e h GLU 61 N 0.16 0.52 0.05 0.00 4.57 -1.13 1.39 114.58 120.15 1a5e h GLU 61 Ca 0.32 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1a5e h GLU 61 Cb 0.50 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1a5e h GLU 61 CO -0.48 0.35 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.43 1a5e h LEU 62 N 0.54 -0.59 -0.02 1.64 3.38 -0.41 -1.14 115.31 118.71 1a5e h LEU 62 Ca 0.35 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1a5e h LEU 62 Cb 0.39 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a5e h LEU 62 CO -0.29 -0.21 -0.01 -0.07 0.09 0.00 0.00 178.44 177.95 1a5e h LEU 63 N -0.29 0.05 -0.13 1.67 3.38 -1.16 -2.69 115.31 116.14 1a5e h LEU 63 Ca -0.00 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1a5e h LEU 63 Cb 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1a5e h LEU 63 CO -0.10 0.45 -0.15 0.25 0.09 0.00 0.00 178.44 178.98 1a5e h LEU 64 N -0.35 -0.51 -2.26 1.67 6.46 0.19 1.65 115.31 122.16 1a5e h LEU 64 Ca 0.01 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1a5e h LEU 64 Cb 0.43 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1a5e h LEU 64 CO 0.00 -0.10 0.23 0.17 -0.62 0.00 0.00 178.44 178.13 1a5e h LEU 65 N -0.09 0.00 0.14 2.25 8.10 -1.31 -0.73 115.31 123.67 1a5e h LEU 65 Ca 0.02 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.80 1a5e h LEU 65 Cb 0.15 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.39 1a5e h LEU 65 CO -0.17 0.00 -0.93 0.45 -4.11 0.00 0.00 178.44 173.68 1a5e h HIS 66 N 0.00 0.67 0.00 0.17 3.86 0.44 -3.48 115.15 116.82 1a5e h HIS 66 Ca 0.07 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1a5e h HIS 66 Cb 0.53 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1a5e h HIS 66 CO 0.00 1.34 0.00 0.41 0.86 0.00 0.00 177.93 180.54 1a5e n GLY 67 N 1.56 0.00 0.64 2.45 0.00 0.51 -4.99 105.19 105.37 1a5e n GLY 67 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.67 -3.36 4.61 0.00 -0.29 -4.16 120.51 116.64 1a5e n ALA 68 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 1a5e n ALA 68 Cb 0.00 -0.02 -0.05 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 -2.18 3.16 0.00 0.00 1.02 -1.26 -4.82 120.64 116.55 1a5e n GLU 69 Ca 0.03 -4.58 0.08 0.00 -0.02 0.00 0.00 57.16 52.66 1a5e n GLU 69 Cb 0.11 -2.38 0.36 0.00 -0.02 0.00 0.00 31.44 29.51 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 1.42 0.11 -0.03 3.49 -0.04 -1.26 -3.85 135.00 134.84 1a5e n PRO 70 Ca 0.26 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 1a5e n PRO 70 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.35 -4.24 3.54 2.85 -1.26 -3.95 115.26 112.16 1a5e n ASN 71 Ca 0.06 0.21 -0.34 0.00 -0.11 0.00 0.00 54.58 54.40 1a5e n ASN 71 Cb 0.15 -0.49 0.09 0.00 1.24 0.00 0.00 39.78 40.77 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 -3.31 0.00 -2.80 0.00 0.00 -1.26 -4.35 120.51 108.79 1a5e n ALA 73 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 1a5e n ALA 73 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 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 1.50 3.98 0.00 0.00 -1.08 -1.26 -4.86 116.67 114.95 1a5e s ASP 74 Ca 0.00 -0.28 0.20 0.00 -0.52 0.00 0.00 52.55 51.95 1a5e s ASP 74 Cb 0.00 -1.25 1.08 0.00 -1.46 0.00 0.00 42.92 41.30 1a5e s ASP 74 CO 0.00 0.25 1.60 -0.81 0.52 0.00 0.00 175.17 176.72 1a5e n PRO 75 N 2.97 0.44 -0.07 4.34 -0.04 -1.26 0.20 135.00 141.58 1a5e n PRO 75 Ca -0.18 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.13 1a5e n PRO 75 Cb 0.52 -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 n ALA 76 N -1.15 1.15 -0.56 0.55 0.00 -1.26 -4.65 120.51 114.59 1a5e n ALA 76 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1a5e n ALA 76 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1a5e n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1a5e n THR 77 N -3.49 0.26 -4.09 0.00 -1.04 -1.19 -4.91 114.28 99.82 1a5e n THR 77 Ca -0.40 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 60.93 1a5e n THR 77 Cb 0.99 1.09 -0.01 0.00 -1.82 0.00 0.00 70.33 70.58 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 -0.13 -2.01 -4.56 -4.42 4.77 0.54 -1.06 117.00 110.14 1a5e n LEU 78 Ca 0.00 -0.96 -0.37 0.00 -0.03 0.00 0.00 56.01 54.65 1a5e n LEU 78 Cb 0.29 -2.22 -0.04 0.00 -2.33 0.00 0.00 43.42 39.12 1a5e n LEU 78 CO 0.00 0.36 1.40 -0.89 -1.33 0.00 0.00 177.39 176.93 1a5e s THR 79 N -3.46 3.67 0.97 -5.08 2.01 -1.25 -4.07 115.64 108.42 1a5e s THR 79 Ca 0.54 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 1a5e s THR 79 Cb -0.29 -4.58 0.17 0.00 0.01 0.00 0.00 72.50 67.81 1a5e s THR 79 CO 0.90 -1.50 1.10 -0.60 -0.69 0.00 0.00 174.62 173.83 1a5e s ARG 80 N 5.99 0.69 0.00 4.92 6.06 -1.26 -4.07 118.95 131.28 1a5e s ARG 80 Ca 0.54 0.53 0.25 0.00 -2.50 0.00 0.00 55.73 54.54 1a5e s ARG 80 Cb -0.05 -1.77 1.45 0.00 0.06 0.00 0.00 34.95 34.64 1a5e s ARG 80 CO 0.02 -2.56 1.84 -0.35 -2.50 0.00 0.00 175.30 171.75 1a5e n PRO 81 N -4.06 0.71 0.08 5.12 -0.04 -1.26 -3.02 135.00 132.53 1a5e n PRO 81 Ca 0.06 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1a5e n PRO 81 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.45 -0.32 0.52 2.07 -1.88 -3.18 116.25 114.92 1a5e h VAL 82 Ca 0.00 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 1a5e h VAL 82 Cb 0.03 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1a5e h VAL 82 CO 0.00 0.76 -0.28 0.45 0.02 0.00 0.00 177.57 178.52 1a5e h HIS 83 N 0.16 0.74 0.26 1.57 3.86 -1.87 -2.99 115.15 116.88 1a5e h HIS 83 Ca -0.07 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1a5e h HIS 83 Cb 1.58 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.84 1a5e h HIS 83 CO 0.05 0.85 -0.34 -0.44 0.86 0.00 0.00 177.93 178.91 1a5e h ASP 84 N 0.56 -0.93 0.42 2.45 5.19 -1.70 0.94 116.42 123.34 1a5e h ASP 84 Ca 0.07 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1a5e h ASP 84 Cb 0.76 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1a5e h ASP 84 CO 0.06 -0.45 -0.41 0.00 -3.12 0.00 0.00 179.24 175.32 1a5e h ALA 85 N -0.10 -1.08 -0.23 3.45 0.00 -1.57 -2.21 119.26 117.51 1a5e h ALA 85 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1a5e h ALA 85 Cb 0.62 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1a5e h ALA 85 CO -0.11 -1.11 0.01 0.00 0.00 0.00 0.00 179.25 178.04 1a5e h ALA 86 N -1.09 0.21 -1.03 0.00 0.00 -1.46 0.51 119.26 116.40 1a5e h ALA 86 Ca -0.05 0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.20 1a5e h ALA 86 Cb 0.71 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1a5e h ALA 86 CO -0.04 -0.42 0.71 -0.09 0.00 0.00 0.00 179.25 179.41 1a5e h ARG 87 N 0.08 0.15 -0.01 0.00 1.12 0.11 0.68 114.38 116.50 1a5e h ARG 87 Ca 0.11 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1a5e h ARG 87 Cb 0.13 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1a5e h ARG 87 CO -0.18 0.10 -0.31 -1.91 -3.11 0.00 0.00 179.97 174.57 1a5e n GLU 88 N -4.37 1.12 -1.41 0.20 4.07 -0.69 -4.93 120.64 114.62 1a5e n GLU 88 Ca 0.23 -0.79 0.00 0.00 -0.06 0.00 0.00 57.16 56.54 1a5e n GLU 88 Cb 1.00 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a5e n GLY 89 N 1.36 0.48 3.89 8.31 0.00 0.24 -4.93 105.19 114.53 1a5e n GLY 89 Ca 0.12 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 3.58 -0.04 1.61 5.36 0.09 -4.81 117.98 121.77 1a5e s PHE 90 Ca 0.00 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 1a5e s PHE 90 Cb 0.00 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1a5e s PHE 90 CO 0.00 0.66 -0.03 -0.11 -1.46 0.00 0.00 175.22 174.28 1a5e n LEU 91 N 1.31 2.81 -0.27 6.12 0.00 -1.26 -3.93 117.00 121.78 1a5e n LEU 91 Ca -0.13 -0.02 0.15 0.00 0.00 0.00 0.00 56.01 56.01 1a5e n LEU 91 Cb 0.53 -0.12 0.42 0.00 0.00 0.00 0.00 43.42 44.26 1a5e n LEU 91 CO 0.39 0.53 1.22 -0.78 0.00 0.00 0.00 177.39 178.75 1a5e h ASP 92 N 0.00 0.57 -0.03 1.96 3.58 -1.97 -0.74 116.42 119.79 1a5e h ASP 92 Ca -0.09 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1a5e h ASP 92 Cb 1.14 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 1a5e h ASP 92 CO -0.01 0.25 0.02 0.74 -2.88 0.00 0.00 179.24 177.36 1a5e h THR 93 N 0.59 1.03 -0.54 2.25 2.02 -1.91 -1.23 112.91 115.11 1a5e h THR 93 Ca 0.47 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.62 1a5e h THR 93 Cb 0.93 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1a5e h THR 93 CO -0.22 0.02 0.30 -0.07 0.37 0.00 0.00 175.52 175.92 1a5e h LEU 94 N 0.02 0.45 -0.74 2.58 4.07 -1.41 -0.60 115.31 119.68 1a5e h LEU 94 Ca 0.01 0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.07 1a5e h LEU 94 Cb 0.02 -0.07 -0.06 0.00 1.08 0.00 0.00 40.66 41.63 1a5e h LEU 94 CO -0.00 0.31 0.41 0.58 -1.08 0.00 0.00 178.44 178.66 1a5e h VAL 95 N 0.58 0.93 -0.44 1.22 2.07 -1.03 -0.83 116.25 118.75 1a5e h VAL 95 Ca 0.23 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1a5e h VAL 95 Cb 0.10 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1a5e h VAL 95 CO -0.14 0.13 0.26 0.58 0.02 0.00 0.00 177.57 178.42 1a5e h VAL 96 N 0.73 1.15 -0.40 2.57 2.07 -0.08 1.06 116.25 123.35 1a5e h VAL 96 Ca 0.35 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1a5e h VAL 96 Cb 0.27 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1a5e h VAL 96 CO -0.22 0.15 0.18 -0.07 0.02 0.00 0.00 177.57 177.63 1a5e h LEU 97 N 0.59 0.25 -0.27 2.57 3.38 0.06 -1.68 115.31 120.20 1a5e h LEU 97 Ca 0.16 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1a5e h LEU 97 Cb 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1a5e h LEU 97 CO -0.03 0.18 -0.53 -0.74 0.09 0.00 0.00 178.44 177.41 1a5e h HIS 98 N 0.37 0.00 0.00 1.13 2.76 -0.89 -1.05 115.15 117.47 1a5e h HIS 98 Ca 0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1a5e h HIS 98 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1a5e h HIS 98 CO -0.12 0.53 0.00 -2.13 -1.30 0.00 0.00 177.93 174.91 1a5e n ARG 99 N -3.33 0.13 0.00 5.26 0.63 0.36 -4.37 116.66 115.35 1a5e n ARG 99 Ca 0.01 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1a5e n ARG 99 Cb 0.70 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a5e n ALA 100 N -1.71 2.58 -3.15 5.13 0.00 -0.85 -5.04 120.51 117.47 1a5e n ALA 100 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1a5e n ALA 100 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.78 -0.57 0.00 0.00 0.00 -0.43 -5.10 107.32 98.44 1a5e s GLY 101 Ca 0.00 2.51 0.00 0.00 0.00 0.00 0.00 44.72 47.23 1a5e s GLY 101 CO 0.00 3.94 0.00 0.00 0.00 0.00 0.00 173.10 177.04 1a5e n ALA 102 N 5.33 0.00 -3.36 3.20 0.00 -1.05 -4.52 120.51 120.11 1a5e n ALA 102 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1a5e n ALA 102 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 1a5e n ALA 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a5e s ARG 103 N -0.50 0.36 -0.02 0.00 3.52 -1.25 -4.93 118.95 116.12 1a5e s ARG 103 Ca 0.00 0.12 0.14 0.00 -0.13 0.00 0.00 55.73 55.87 1a5e s ARG 103 Cb 0.00 -0.51 0.45 0.00 -1.56 0.00 0.00 34.95 33.33 1a5e s ARG 103 CO 0.00 -0.93 1.36 1.28 -0.81 0.00 0.00 175.30 176.20 1a5e n LEU 104 N 5.34 2.85 -1.92 -0.88 4.32 -1.26 -4.14 117.00 121.31 1a5e n LEU 104 Ca -0.01 -1.43 -0.19 0.00 -0.02 0.00 0.00 56.01 54.36 1a5e n LEU 104 Cb 0.48 -0.37 0.17 0.00 -1.62 0.00 0.00 43.42 42.09 1a5e n LEU 104 CO 0.01 0.64 1.10 0.47 -1.22 0.00 0.00 177.39 178.39 1a5e n ASP 105 N 0.88 3.71 -3.94 -1.43 9.92 -1.26 -4.66 116.55 119.78 1a5e n ASP 105 Ca 0.17 -3.69 -0.15 0.00 -0.53 0.00 0.00 54.79 50.59 1a5e n ASP 105 Cb 0.48 -0.78 0.03 0.00 -0.64 0.00 0.00 41.12 40.21 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1a5e n VAL 106 N -1.12 0.00 -3.96 2.53 3.14 -1.26 -5.13 118.33 112.53 1a5e n VAL 106 Ca 0.52 -1.36 -0.11 0.00 -2.96 0.00 0.00 64.34 60.43 1a5e n VAL 106 Cb 1.39 -0.48 -0.12 0.00 -1.06 0.00 0.00 33.84 33.57 1a5e n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s ARG 107 N -3.66 0.23 -0.83 1.45 1.70 -1.26 -4.51 118.95 112.07 1a5e s ARG 107 Ca 0.33 -0.36 -0.10 0.00 -0.47 0.00 0.00 55.73 55.12 1a5e s ARG 107 Cb -0.03 -0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.25 1a5e s ARG 107 CO 0.21 -0.01 2.00 -3.47 -1.08 0.00 0.00 175.30 172.96 1a5e n ASP 108 N 2.25 3.98 0.00 -2.89 -0.08 -1.12 -4.65 116.55 114.04 1a5e n ASP 108 Ca -0.18 -2.42 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 1a5e n ASP 108 Cb 0.57 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.96 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a5e n ALA 109 N 5.25 0.00 -0.40 -1.67 0.00 -0.22 -4.18 120.51 119.30 1a5e n ALA 109 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1a5e n ALA 109 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.00 8.01 -1.26 -4.95 117.44 119.24 1a5e n TRP 110 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1a5e n TRP 110 Cb 0.00 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.00 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 -0.83 0.06 3.66 6.99 0.00 -1.26 -5.11 105.19 108.70 1a5e n GLY 111 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 1a5e n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 112 N 0.00 1.38 -2.37 1.61 5.12 -1.26 -4.64 116.66 116.50 1a5e n ARG 112 Ca 0.00 0.50 -0.27 0.00 -1.93 0.00 0.00 57.85 56.16 1a5e n ARG 112 Cb 0.00 -2.20 0.03 0.00 -1.16 0.00 0.00 32.46 29.13 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1a5e s LEU 113 N 2.38 3.22 0.57 0.55 1.43 -1.26 -2.79 118.68 122.78 1a5e s LEU 113 Ca 0.91 0.73 0.36 0.00 -1.03 0.00 0.00 54.13 55.10 1a5e s LEU 113 Cb -0.95 -3.56 1.60 0.00 0.03 0.00 0.00 46.19 43.32 1a5e s LEU 113 CO 0.55 -1.08 2.07 1.55 0.23 0.00 0.00 176.35 179.67 1a5e h PRO 114 N -0.20 0.00 0.17 1.29 0.13 -1.88 -2.06 132.00 129.45 1a5e h PRO 114 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 1a5e h PRO 114 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1a5e h PRO 114 CO 0.61 0.01 -1.58 -0.24 -0.23 0.00 0.00 178.00 176.57 1a5e h VAL 115 N 0.00 1.12 -0.26 1.56 3.04 -1.91 -3.02 116.25 116.78 1a5e h VAL 115 Ca -0.00 -2.70 -0.17 0.00 -1.01 0.00 0.00 66.70 62.82 1a5e h VAL 115 Cb 0.40 2.82 -0.00 0.00 -2.01 0.00 0.00 31.29 32.50 1a5e h VAL 115 CO 0.00 0.84 -0.52 -0.78 -1.01 0.00 0.00 177.57 176.10 1a5e h ASP 116 N 0.10 0.81 -0.51 3.17 3.58 -1.87 -2.95 116.42 118.75 1a5e h ASP 116 Ca -0.27 -0.42 -0.09 0.00 0.42 0.00 0.00 57.03 56.67 1a5e h ASP 116 Cb 2.07 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.87 1a5e h ASP 116 CO 0.19 1.18 -0.01 0.25 -2.88 0.00 0.00 179.24 177.96 1a5e h LEU 117 N 0.57 0.90 0.82 2.28 6.46 -1.50 -2.74 115.31 122.10 1a5e h LEU 117 Ca 0.02 -0.31 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 1a5e h LEU 117 Cb 1.09 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1a5e h LEU 117 CO 0.11 1.00 -0.47 0.00 -0.62 0.00 0.00 178.44 178.46 1a5e h ALA 118 N 0.94 -1.23 -0.75 1.25 0.00 -1.49 -1.32 119.26 116.65 1a5e h ALA 118 Ca 0.14 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1a5e h ALA 118 Cb 0.54 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1a5e h ALA 118 CO 0.03 -1.21 0.53 1.49 0.00 0.00 0.00 179.25 180.10 1a5e h GLU 119 N -1.20 0.08 0.00 0.00 4.22 -1.55 0.45 114.58 116.57 1a5e h GLU 119 Ca -0.11 -0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.25 1a5e h GLU 119 Cb 0.95 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1a5e h GLU 119 CO 0.14 0.05 -0.37 1.49 -2.18 0.00 0.00 179.01 178.14 1a5e h GLU 120 N 0.08 0.00 -0.01 1.92 4.81 -1.09 -2.99 114.58 117.30 1a5e h GLU 120 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1a5e h GLU 120 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1a5e h GLU 120 CO -0.03 0.37 -0.19 1.28 -0.73 0.00 0.00 179.01 179.71 1a5e n LEU 121 N -3.34 1.17 0.00 1.64 4.32 0.15 -4.91 117.00 116.03 1a5e n LEU 121 Ca 0.01 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 1a5e n LEU 121 Cb 0.58 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1a5e n LEU 121 CO 0.37 0.21 0.00 0.61 -1.22 0.00 0.00 177.39 177.36 1a5e n GLY 122 N 1.30 0.87 2.79 -0.72 0.00 -0.81 -4.98 105.19 103.63 1a5e n GLY 122 Ca 0.14 -0.12 -0.37 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 -2.23 2.77 -0.36 1.61 8.25 -0.74 -4.71 115.22 119.81 1a5e n HIS 123 Ca 0.00 -2.32 0.37 0.00 -0.26 0.00 0.00 57.72 55.51 1a5e n HIS 123 Cb 0.00 -1.24 0.76 0.00 1.12 0.00 0.00 29.99 30.63 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 2.89 0.01 -0.54 -0.41 0.11 -1.85 0.85 114.38 115.43 1a5e h ARG 124 Ca 0.54 -0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.55 1a5e h ARG 124 Cb 0.21 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 1a5e h ARG 124 CO 1.36 0.01 0.07 -0.44 0.10 0.00 0.00 179.97 181.06 1a5e h ASP 125 N 0.01 0.88 0.35 0.08 3.32 -1.95 0.89 116.42 120.00 1a5e h ASP 125 Ca 0.61 -0.27 -0.32 0.00 0.02 0.00 0.00 57.03 57.06 1a5e h ASP 125 Cb 2.41 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 41.75 1a5e h ASP 125 CO -0.01 0.93 -1.49 0.58 -1.72 0.00 0.00 179.24 177.52 1a5e h VAL 126 N 0.79 1.25 -0.59 -1.35 2.07 0.17 -3.16 116.25 115.43 1a5e h VAL 126 Ca 0.16 -2.76 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 1a5e h VAL 126 Cb 0.43 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1a5e h VAL 126 CO 0.01 0.84 0.36 0.00 0.02 0.00 0.00 177.57 178.80 1a5e h ALA 127 N 0.28 0.75 0.23 1.67 0.00 -0.12 0.19 119.26 122.26 1a5e h ALA 127 Ca -0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1a5e h ALA 127 Cb 2.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1a5e h ALA 127 CO 0.23 0.23 -0.14 -0.09 0.00 0.00 0.00 179.25 179.48 1a5e h ARG 128 N 0.80 -0.33 -0.96 0.00 2.43 -0.91 0.14 114.38 115.55 1a5e h ARG 128 Ca 0.21 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.60 1a5e h ARG 128 Cb -0.03 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 1a5e h ARG 128 CO -0.04 -0.22 0.54 -0.92 -1.51 0.00 0.00 179.97 177.82 1a5e h TYR 129 N -0.34 0.95 -0.12 2.20 3.20 -1.53 0.06 116.97 121.38 1a5e h TYR 129 Ca -0.03 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1a5e h TYR 129 Cb 0.27 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1a5e h TYR 129 CO 0.05 0.16 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.61 1a5e h LEU 130 N 0.66 -0.17 -2.34 2.82 3.38 -0.29 0.28 115.31 119.64 1a5e h LEU 130 Ca 0.56 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.60 1a5e h LEU 130 Cb 0.92 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1a5e h LEU 130 CO -0.41 -0.07 0.21 -0.09 0.09 0.00 0.00 178.44 178.16 1a5e h ARG 131 N -0.04 0.00 0.00 1.13 2.43 0.13 1.73 114.38 119.76 1a5e h ARG 131 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1a5e h ARG 131 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1a5e h ARG 131 CO -0.15 0.00 -0.18 0.00 -1.51 0.00 0.00 179.97 178.13 1a5e n ALA 132 N -2.11 0.16 0.95 2.80 0.00 -0.13 -1.89 120.51 120.29 1a5e n ALA 132 Ca -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1a5e n ALA 132 Cb 0.29 0.01 0.53 0.00 0.00 0.00 0.00 19.45 20.28 1a5e n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 133 N -2.75 2.10 0.00 0.00 0.00 -0.10 -4.08 120.51 115.69 1a5e n ALA 133 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1a5e n ALA 133 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.37 2.27 -1.05 0.00 0.00 0.50 -4.67 120.51 116.20 1a5e n ALA 134 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 1a5e n ALA 134 Cb 0.21 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 2.58 3.18 3.66 0.00 0.00 0.35 -4.56 105.19 110.41 1a5e n GLY 135 Ca 0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1a5e n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5e s GLY 136 N 3.83 1.50 -0.60 -0.02 0.00 -1.26 -4.56 107.32 106.22 1a5e s GLY 136 Ca 0.50 1.13 -0.25 0.00 0.00 0.00 0.00 44.72 46.10 1a5e s GLY 136 CO 0.01 3.21 1.02 -0.51 0.00 0.00 0.00 173.10 176.83 1a5e s THR 137 N 4.10 4.26 -0.02 0.90 -4.23 -1.26 -4.99 115.64 114.39 1a5e s THR 137 Ca 0.80 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.57 1a5e s THR 137 Cb -0.38 -4.63 0.02 0.00 1.34 0.00 0.00 72.50 68.85 1a5e s THR 137 CO 0.35 -1.29 -0.01 0.00 -0.54 0.00 0.00 174.62 173.14 1a5e s ARG 138 N 4.29 0.29 0.00 3.99 1.70 -1.26 -5.06 118.95 122.90 1a5e s ARG 138 Ca 0.31 0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.61 1a5e s ARG 138 Cb -0.12 -0.43 0.00 0.00 -0.57 0.00 0.00 34.95 33.83 1a5e s ARG 138 CO 0.18 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.71 1a5e n GLY 139 N 3.90 0.86 1.48 3.88 0.00 -1.26 -5.13 105.19 108.92 1a5e n GLY 139 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1a5e n GLY 139 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a5e n SER 140 N 0.00 -7.99 0.00 1.61 2.88 -1.26 -4.86 113.62 104.00 1a5e n SER 140 Ca 0.00 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 1a5e n SER 140 Cb 0.00 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 1a5e n SER 140 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a5e n ASN 141 N -1.99 0.00 -0.75 -3.46 4.13 -1.26 -4.97 115.26 106.96 1a5e n ASN 141 Ca 0.00 0.37 0.08 0.00 1.68 0.00 0.00 54.58 56.72 1a5e n ASN 141 Cb 0.30 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.50 1a5e n ASN 141 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1a5e n HIS 142 N -0.55 -2.59 -3.95 3.10 8.25 -1.26 -4.61 115.22 113.61 1a5e n HIS 142 Ca 0.00 0.76 -0.31 0.00 -0.26 0.00 0.00 57.72 57.92 1a5e n HIS 142 Cb 0.00 -1.37 -0.15 0.00 1.12 0.00 0.00 29.99 29.59 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5e s ALA 143 N -1.65 2.75 0.12 -1.41 0.00 -1.26 -5.09 121.76 115.22 1a5e s ALA 143 Ca 0.00 -2.57 -0.35 0.00 0.00 0.00 0.00 51.96 49.04 1a5e s ALA 143 Cb 0.00 -1.95 -0.16 0.00 0.00 0.00 0.00 23.12 21.00 1a5e s ALA 143 CO 0.00 -1.77 1.32 0.54 0.00 0.00 0.00 175.76 175.85 1a5e n ARG 144 N 4.07 1.27 -3.40 0.00 5.12 -1.26 -2.35 116.66 120.10 1a5e n ARG 144 Ca 0.04 0.46 -0.12 0.00 -1.93 0.00 0.00 57.85 56.29 1a5e n ARG 144 Cb 0.40 -2.07 0.00 0.00 -1.16 0.00 0.00 32.46 29.63 1a5e n ARG 144 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1a5e n ILE 145 N 2.31 -7.08 -0.89 0.55 2.08 -1.26 -4.87 119.36 110.20 1a5e n ILE 145 Ca 0.17 -0.20 -0.36 0.00 0.56 0.00 0.00 62.75 62.92 1a5e n ILE 145 Cb 0.22 -5.12 0.08 0.00 -0.75 0.00 0.00 39.64 34.06 1a5e n ILE 145 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1a5e n ASP 146 N -2.20 -3.02 -4.38 4.38 9.92 -0.99 -4.49 116.55 115.76 1a5e n ASP 146 Ca -0.14 -0.01 -0.51 0.00 -0.53 0.00 0.00 54.79 53.60 1a5e n ASP 146 Cb 0.59 -0.69 -0.11 0.00 -0.64 0.00 0.00 41.12 40.27 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e n ALA 147 N -3.71 0.48 -1.29 2.24 0.00 -1.26 -4.36 120.51 112.61 1a5e n ALA 147 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1a5e n ALA 147 Cb 0.69 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 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 9.45 -2.38 -1.28 0.00 0.00 -1.26 -4.77 120.51 120.27 1a5e n ALA 148 Ca 0.54 0.58 -0.31 0.00 0.00 0.00 0.00 53.44 54.25 1a5e n ALA 148 Cb 0.08 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.29 1a5e n ALA 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a5e s GLU 149 N -4.75 2.25 0.27 0.00 2.56 -1.26 -4.83 118.70 112.94 1a5e s GLU 149 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 54.97 56.10 1a5e s GLU 149 Cb 0.00 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.23 1a5e s GLU 149 CO 0.00 -1.64 0.00 0.41 -0.56 0.00 0.00 175.26 173.47 1a5e n GLY 150 N -1.27 -3.27 3.62 -1.50 0.00 -1.26 -4.75 105.19 96.76 1a5e n GLY 150 Ca 0.09 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.37 3.87 0.00 1.61 0.04 -1.26 -4.85 135.00 130.03 1a5e s PRO 151 Ca 0.00 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.11 1a5e s PRO 151 Cb 0.00 -3.87 0.05 0.00 0.04 0.00 0.00 34.50 30.71 1a5e s PRO 151 CO 0.00 -1.18 0.95 0.45 0.04 0.00 0.00 177.00 177.25 1a5e n SER 152 N 7.67 1.96 -4.75 6.66 2.88 -1.26 -5.05 113.62 121.74 1a5e n SER 152 Ca 0.14 -1.81 -0.30 0.00 -1.33 0.00 0.00 58.87 55.57 1a5e n SER 152 Cb 0.47 -0.03 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 1a5e n SER 152 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1a5e s ASP 153 N -0.82 4.13 -0.59 -3.46 1.01 -1.26 -5.01 116.67 110.66 1a5e s ASP 153 Ca 0.04 1.65 0.04 0.00 0.71 0.00 0.00 52.55 54.99 1a5e s ASP 153 Cb 0.02 -2.35 0.16 0.00 1.01 0.00 0.00 42.92 41.76 1a5e s ASP 153 CO 0.03 -2.25 0.39 -0.63 0.21 0.00 0.00 175.17 172.92 1a5e s ILE 154 N -2.94 2.21 0.09 0.77 1.09 -1.26 -5.09 121.20 116.07 1a5e s ILE 154 Ca 0.62 -3.59 -0.31 0.00 -1.10 0.00 0.00 60.65 56.28 1a5e s ILE 154 Cb -0.17 -2.48 -0.06 0.00 -1.06 0.00 0.00 42.46 38.68 1a5e s ILE 154 CO 0.56 -0.99 1.21 -2.16 -0.10 0.00 0.00 174.94 173.46 1a5e s PRO 155 N -0.73 4.44 0.00 2.79 0.04 -1.26 -5.36 135.00 134.92 1a5e s PRO 155 Ca 0.24 1.80 0.05 0.00 0.04 0.00 0.00 61.00 63.13 1a5e s PRO 155 Cb -0.10 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.16 1a5e s PRO 155 CO -0.12 -0.23 0.67 -3.47 0.04 0.00 0.00 177.00 173.89