#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 1.95 0.66 3.17 0.41 -1.26 -5.12 118.70 118.51 1a5e s GLU 2 Ca 0.00 -0.76 -0.13 0.00 -0.41 0.00 0.00 54.97 53.67 1a5e s GLU 2 Cb 0.00 -2.32 -0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1a5e s GLU 2 CO 0.00 -0.41 1.07 -1.25 -0.49 0.00 0.00 175.26 174.17 1a5e s PRO 3 N 1.44 3.00 0.00 0.39 0.04 -1.26 -5.00 135.00 133.62 1a5e s PRO 3 Ca -0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1a5e s PRO 3 Cb -0.16 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1a5e s PRO 3 CO -0.08 -1.06 0.00 0.00 0.04 0.00 0.00 177.00 175.90 1a5e n ALA 4 N -2.68 0.00 -0.79 8.56 0.00 -1.26 -5.05 120.51 119.29 1a5e n ALA 4 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1a5e n ALA 4 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.00 -2.89 0.00 0.00 -1.26 -4.71 120.51 111.65 1a5e n ALA 5 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1a5e n ALA 5 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.50 2.01 0.00 0.00 -1.26 -4.63 105.19 100.81 1a5e n GLY 6 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.08 -0.17 -1.98 1.61 3.41 -1.26 -4.89 113.62 108.26 1a5e n SER 7 Ca -0.09 0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.42 1a5e n SER 7 Cb 0.58 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1a5e n SER 7 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5e n SER 8 N -2.59 6.27 -4.18 4.04 2.88 -1.26 -4.95 113.62 113.82 1a5e n SER 8 Ca 0.00 -2.98 -0.30 0.00 -1.33 0.00 0.00 58.87 54.26 1a5e n SER 8 Cb 0.00 -1.13 0.20 0.00 -0.75 0.00 0.00 64.21 62.54 1a5e n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e s MET 9 N -1.41 -0.24 -0.40 -1.46 0.23 -1.26 -4.81 119.30 109.95 1a5e s MET 9 Ca 0.36 0.03 -0.38 0.00 -1.03 0.00 0.00 55.69 54.66 1a5e s MET 9 Cb 0.25 -1.70 -0.14 0.00 -1.53 0.00 0.00 34.83 31.71 1a5e s MET 9 CO -0.05 -3.08 2.16 -1.91 -2.03 0.00 0.00 175.02 170.11 1a5e n GLU 10 N -4.33 0.72 -2.41 3.16 2.13 -1.26 -4.84 120.64 113.80 1a5e n GLU 10 Ca 0.11 0.20 -0.43 0.00 0.66 0.00 0.00 57.16 57.70 1a5e n GLU 10 Cb 0.59 -2.13 -0.02 0.00 0.27 0.00 0.00 31.44 30.15 1a5e n GLU 10 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1a5e s PRO 11 N 6.05 3.72 0.00 5.31 0.04 -1.26 -4.59 135.00 144.26 1a5e s PRO 11 Ca 1.13 0.99 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1a5e s PRO 11 Cb -1.08 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1a5e s PRO 11 CO 0.55 -1.38 0.00 0.43 0.04 0.00 0.00 177.00 176.64 1a5e n SER 12 N 8.25 0.00 -0.08 6.66 7.64 -1.26 -4.88 113.62 129.95 1a5e n SER 12 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 1a5e n SER 12 Cb 0.48 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e h ALA 13 N 0.00 0.08 0.00 -0.43 0.00 -1.98 -3.31 119.26 113.62 1a5e h ALA 13 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1a5e h ALA 13 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a5e h ALA 13 CO 0.00 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1a5e n ASP 14 N -4.57 0.47 0.00 0.00 5.68 -1.26 -2.37 116.55 114.50 1a5e n ASP 14 Ca -0.16 0.66 0.05 0.00 -0.50 0.00 0.00 54.79 54.84 1a5e n ASP 14 Cb 0.48 -0.74 0.25 0.00 -1.14 0.00 0.00 41.12 39.97 1a5e n ASP 14 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1a5e n TRP 15 N -2.06 0.00 0.03 2.11 7.02 -1.25 -2.48 117.44 120.81 1a5e n TRP 15 Ca 0.01 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 1a5e n TRP 15 Cb 0.13 -0.24 -0.14 0.00 -2.42 0.00 0.00 31.31 28.64 1a5e n TRP 15 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1a5e h LEU 16 N 0.00 0.40 -0.01 -0.99 5.85 -1.69 -2.92 115.31 115.94 1a5e h LEU 16 Ca 0.00 -0.95 -0.26 0.00 0.84 0.00 0.00 57.88 57.51 1a5e h LEU 16 Cb 0.08 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.99 1a5e h LEU 16 CO 0.00 1.36 -1.10 0.00 -0.34 0.00 0.00 178.44 178.36 1a5e h ALA 17 N 0.06 0.17 0.45 1.25 0.00 -1.74 -3.08 119.26 116.36 1a5e h ALA 17 Ca -0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 1a5e h ALA 17 Cb 1.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1a5e h ALA 17 CO 0.12 0.77 -0.22 1.79 0.00 0.00 0.00 179.25 181.72 1a5e h THR 18 N 0.25 0.56 -0.44 0.00 1.35 -1.62 -1.52 112.91 111.49 1a5e h THR 18 Ca -0.13 -0.11 0.09 0.00 -0.55 0.00 0.00 66.41 65.70 1a5e h THR 18 Cb 1.76 0.61 -0.08 0.00 -1.73 0.00 0.00 68.15 68.72 1a5e h THR 18 CO 0.20 0.02 -0.06 0.00 -0.25 0.00 0.00 175.52 175.43 1a5e h ALA 19 N -0.14 0.35 -0.47 6.62 0.00 -1.62 0.13 119.26 124.12 1a5e h ALA 19 Ca -0.06 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1a5e h ALA 19 Cb 0.50 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1a5e h ALA 19 CO 0.10 -0.43 0.05 0.00 0.00 0.00 0.00 179.25 178.98 1a5e h ALA 20 N 1.42 0.49 0.00 0.00 0.00 -1.43 0.33 119.26 120.07 1a5e h ALA 20 Ca 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1a5e h ALA 20 Cb 0.33 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a5e h ALA 20 CO -0.42 -0.35 -0.09 0.00 0.00 0.00 0.00 179.25 178.39 1a5e h ALA 21 N 1.39 1.74 -0.27 0.00 0.00 0.68 -0.42 119.26 122.38 1a5e h ALA 21 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1a5e h ALA 21 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1a5e h ALA 21 CO -0.35 0.11 0.02 -2.13 0.00 0.00 0.00 179.25 176.91 1a5e n ARG 22 N -4.27 2.69 -3.84 0.00 3.00 0.11 -4.03 116.66 110.31 1a5e n ARG 22 Ca -0.03 -1.42 -0.27 0.00 -0.00 0.00 0.00 57.85 56.14 1a5e n ARG 22 Cb 0.17 -1.83 0.01 0.00 0.00 0.00 0.00 32.46 30.81 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5e n GLY 23 N 0.25 -0.45 2.78 5.14 0.00 -0.18 -4.95 105.19 107.78 1a5e n GLY 23 Ca 0.13 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1a5e n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5e s ARG 24 N -6.32 1.09 -0.05 1.61 3.52 -0.69 -4.99 118.95 113.12 1a5e s ARG 24 Ca 0.14 -1.60 -0.21 0.00 -0.13 0.00 0.00 55.73 53.94 1a5e s ARG 24 Cb -0.05 -2.36 -0.15 0.00 -1.56 0.00 0.00 34.95 30.82 1a5e s ARG 24 CO 0.87 -1.05 0.85 0.28 -0.81 0.00 0.00 175.30 175.44 1a5e h VAL 25 N 6.03 0.82 -0.98 7.11 2.07 -1.92 -3.10 116.25 126.28 1a5e h VAL 25 Ca -0.07 -1.13 0.32 0.00 0.82 0.00 0.00 66.70 66.63 1a5e h VAL 25 Cb 0.98 1.39 -0.15 0.00 -1.52 0.00 0.00 31.29 31.99 1a5e h VAL 25 CO 0.49 0.22 0.49 -0.33 0.02 0.00 0.00 177.57 178.46 1a5e h GLU 26 N -0.87 0.24 -0.18 1.57 5.08 -1.98 0.72 114.58 119.17 1a5e h GLU 26 Ca -0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1a5e h GLU 26 Cb 0.52 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1a5e h GLU 26 CO 0.04 0.16 -0.07 1.49 -1.00 0.00 0.00 179.01 179.63 1a5e h GLU 27 N 0.25 0.36 -0.42 2.33 4.81 -1.98 -2.90 114.58 117.02 1a5e h GLU 27 Ca 0.72 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.68 1a5e h GLU 27 Cb 1.64 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 1a5e h GLU 27 CO -0.65 0.65 -0.19 0.28 -0.73 0.00 0.00 179.01 178.37 1a5e h VAL 28 N 0.05 1.28 -0.61 0.32 2.07 -0.61 -1.11 116.25 117.63 1a5e h VAL 28 Ca 0.04 -1.34 0.12 0.00 0.82 0.00 0.00 66.70 66.35 1a5e h VAL 28 Cb 0.53 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1a5e h VAL 28 CO 0.02 0.45 0.07 0.03 0.02 0.00 0.00 177.57 178.16 1a5e h ARG 29 N 0.70 0.18 -0.04 1.57 2.47 0.32 0.46 114.38 120.04 1a5e h ARG 29 Ca 0.10 -0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.69 1a5e h ARG 29 Cb 0.75 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1a5e h ARG 29 CO 0.06 0.12 -0.44 0.00 0.56 0.00 0.00 179.97 180.26 1a5e h ALA 30 N 1.53 0.11 0.68 0.04 0.00 -1.44 -2.83 119.26 117.35 1a5e h ALA 30 Ca 0.32 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 30 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1a5e h ALA 30 CO -0.47 0.27 -0.48 -0.07 0.00 0.00 0.00 179.25 178.49 1a5e h LEU 31 N -0.14 -1.25 -1.74 0.00 3.38 -0.47 0.53 115.31 115.62 1a5e h LEU 31 Ca -0.04 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.25 1a5e h LEU 31 Cb 1.13 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1a5e h LEU 31 CO 0.09 -0.71 0.63 -0.07 0.09 0.00 0.00 178.44 178.48 1a5e h LEU 32 N -1.11 0.20 -0.18 1.67 3.38 -0.22 0.88 115.31 119.94 1a5e h LEU 32 Ca -0.09 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1a5e h LEU 32 Cb 0.91 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1a5e h LEU 32 CO 0.05 0.07 -0.50 -0.33 0.09 0.00 0.00 178.44 177.82 1a5e h GLU 33 N 0.20 0.00 0.00 1.13 5.08 -1.04 -3.04 114.58 116.90 1a5e h GLU 33 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1a5e h GLU 33 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1a5e h GLU 33 CO -0.10 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 1a5e n ALA 34 N -2.24 2.42 0.00 3.43 0.00 0.30 -4.82 120.51 119.60 1a5e n ALA 34 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1a5e n ALA 34 Cb 0.70 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.09 1.77 3.77 0.00 0.00 -0.90 -5.07 105.19 105.86 1a5e n GLY 35 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 3.42 -0.29 4.61 0.00 -0.83 -4.99 121.76 121.68 1a5e s ALA 36 Ca 0.00 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 1a5e s ALA 36 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1a5e s ALA 36 CO 0.00 -0.80 0.12 -0.48 0.00 0.00 0.00 175.76 174.60 1a5e s LEU 37 N -2.11 3.86 0.34 0.00 2.34 -1.26 -4.78 118.68 117.06 1a5e s LEU 37 Ca 0.53 -0.38 0.13 0.00 0.06 0.00 0.00 54.13 54.47 1a5e s LEU 37 Cb -0.41 -1.98 0.60 0.00 -0.56 0.00 0.00 46.19 43.84 1a5e s LEU 37 CO 0.54 -0.13 1.74 1.55 -1.06 0.00 0.00 176.35 178.99 1a5e h PRO 38 N 8.31 0.00 -1.70 1.48 0.13 -1.93 -3.08 132.00 135.20 1a5e h PRO 38 Ca -0.34 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.34 1a5e h PRO 38 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1a5e h PRO 38 CO 0.60 0.46 0.47 0.09 -0.23 0.00 0.00 178.00 179.39 1a5e n ASN 39 N -3.92 6.63 -4.89 1.44 5.03 -1.26 -3.97 115.26 114.31 1a5e n ASN 39 Ca -0.01 -3.22 -0.29 0.00 0.87 0.00 0.00 54.58 51.92 1a5e n ASN 39 Cb 0.49 -1.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.10 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 -2.04 3.44 -0.91 5.41 0.00 -1.17 -4.96 121.76 121.54 1a5e s ALA 40 Ca 0.47 -0.36 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 1a5e s ALA 40 Cb 0.34 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.83 1a5e s ALA 40 CO -0.12 0.02 2.02 -1.25 0.00 0.00 0.00 175.76 176.44 1a5e s PRO 41 N -3.89 2.37 0.68 0.00 0.04 -1.26 -4.94 135.00 128.00 1a5e s PRO 41 Ca 0.48 -0.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.13 1a5e s PRO 41 Cb -0.10 -5.03 0.01 0.00 0.04 0.00 0.00 34.50 29.41 1a5e s PRO 41 CO 0.33 -3.63 1.25 0.09 0.04 0.00 0.00 177.00 175.07 1a5e n ASN 42 N 14.87 1.75 -1.60 6.66 3.02 -1.26 -4.88 115.26 133.82 1a5e n ASN 42 Ca 0.42 0.78 -0.08 0.00 -0.03 0.00 0.00 54.58 55.66 1a5e n ASN 42 Cb 0.46 -1.53 0.15 0.00 -0.61 0.00 0.00 39.78 38.25 1a5e n ASN 42 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a5e n SER 43 N -2.10 3.58 -0.79 6.41 2.88 -1.26 -3.99 113.62 118.35 1a5e n SER 43 Ca 0.15 -2.82 -0.04 0.00 -1.33 0.00 0.00 58.87 54.83 1a5e n SER 43 Cb 0.48 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.19 0.00 -3.17 0.66 0.18 -1.26 -4.98 117.16 108.40 1a5e n TYR 44 Ca 0.29 -0.30 -0.22 0.00 1.88 0.00 0.00 57.90 59.55 1a5e n TYR 44 Cb 1.07 0.40 0.01 0.00 -0.38 0.00 0.00 39.34 40.44 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1a5e n GLY 45 N 0.00 -0.50 2.94 -7.48 0.00 -1.26 -4.92 105.19 93.98 1a5e n GLY 45 Ca -0.17 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.83 1.98 1.24 1.61 3.00 -1.26 -4.91 118.95 114.77 1a5e s ARG 46 Ca 0.34 -2.65 -0.18 0.00 0.00 0.00 0.00 55.73 53.24 1a5e s ARG 46 Cb -0.17 -3.30 0.28 0.00 0.00 0.00 0.00 34.95 31.76 1a5e s ARG 46 CO 0.42 -1.12 0.63 0.54 0.00 0.00 0.00 175.30 175.77 1a5e n ARG 47 N 3.06 -3.57 -1.42 3.54 1.74 -1.26 -4.61 116.66 114.14 1a5e n ARG 47 Ca 0.06 -1.06 -0.32 0.00 -0.77 0.00 0.00 57.85 55.75 1a5e n ARG 47 Cb 0.32 -1.70 0.08 0.00 -1.02 0.00 0.00 32.46 30.14 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1a5e s PRO 48 N -4.27 2.28 0.00 5.56 0.04 -1.25 -2.89 135.00 134.46 1a5e s PRO 48 Ca 0.51 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1a5e s PRO 48 Cb -0.09 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1a5e s PRO 48 CO 0.44 -1.66 0.00 -0.89 0.04 0.00 0.00 177.00 174.93 1a5e n ILE 49 N -3.01 0.00 0.26 0.56 5.41 -1.26 -4.26 119.36 117.06 1a5e n ILE 49 Ca 0.11 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.00 1a5e n ILE 49 Cb 0.52 0.00 0.61 0.00 -0.71 0.00 0.00 39.64 40.06 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 -0.48 0.38 4.15 -1.90 0.31 115.11 117.57 1a5e h GLN 50 Ca 0.00 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.07 1a5e h GLN 50 Cb 0.00 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 27.37 1a5e h GLN 50 CO 0.00 0.00 -0.81 1.55 -1.93 0.00 0.00 178.83 177.64 1a5e n VAL 51 N -2.97 2.09 -1.36 2.39 3.14 -1.14 -4.80 118.33 115.68 1a5e n VAL 51 Ca 0.02 -3.58 -0.31 0.00 -2.96 0.00 0.00 64.34 57.51 1a5e n VAL 51 Cb 0.63 -0.41 0.10 0.00 -1.06 0.00 0.00 33.84 33.10 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 -0.71 2.64 -0.05 1.45 0.00 0.11 -0.74 117.12 119.82 1a5e n MET 52 Ca 0.30 -3.29 0.00 0.00 0.00 0.00 0.00 57.70 54.71 1a5e n MET 52 Cb 0.89 -2.25 0.00 0.00 0.00 0.00 0.00 33.22 31.86 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 -0.96 0.00 -2.29 3.17 1.56 -1.16 -3.75 117.12 113.70 1a5e n MET 53 Ca 0.60 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.95 1a5e n MET 53 Cb 0.90 -3.43 -0.01 0.00 2.15 0.00 0.00 33.22 32.83 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 -2.00 -2.32 -0.05 2.12 2.81 -1.26 -4.68 117.12 111.74 1a5e n MET 54 Ca 0.00 0.39 0.01 0.00 -1.81 0.00 0.00 57.70 56.28 1a5e n MET 54 Cb 0.00 -4.89 0.01 0.00 -0.71 0.00 0.00 33.22 27.63 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 -0.61 -0.26 2.37 3.03 0.00 -1.25 -4.71 105.19 103.76 1a5e n GLY 55 Ca -0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.25 -0.76 -0.22 1.61 7.64 -1.26 -4.97 113.62 115.42 1a5e n SER 56 Ca 0.01 -2.71 0.31 0.00 1.01 0.00 0.00 58.87 57.49 1a5e n SER 56 Cb 0.44 -0.06 0.70 0.00 -1.01 0.00 0.00 64.21 64.28 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 4.53 2.89 -0.25 -0.43 0.00 -1.92 0.52 119.26 124.60 1a5e h ALA 57 Ca 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1a5e h ALA 57 Cb 0.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1a5e h ALA 57 CO 0.38 -1.38 0.17 0.00 0.00 0.00 0.00 179.25 178.42 1a5e h ARG 58 N 0.00 0.24 0.02 0.00 3.08 -1.95 -2.52 114.38 113.24 1a5e h ARG 58 Ca 0.48 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.52 1a5e h ARG 58 Cb 2.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.19 1a5e h ARG 58 CO -0.01 0.16 -0.01 0.28 -1.07 0.00 0.00 179.97 179.33 1a5e h VAL 59 N 0.25 1.41 -0.90 2.04 2.07 -0.34 -3.12 116.25 117.67 1a5e h VAL 59 Ca 0.10 -1.35 0.23 0.00 0.82 0.00 0.00 66.70 66.50 1a5e h VAL 59 Cb 0.10 2.32 -0.16 0.00 -1.52 0.00 0.00 31.29 32.03 1a5e h VAL 59 CO -0.02 0.35 0.03 0.00 0.02 0.00 0.00 177.57 177.95 1a5e h ALA 60 N 0.35 1.03 0.35 1.67 0.00 -1.50 0.15 119.26 121.31 1a5e h ALA 60 Ca -0.00 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1a5e h ALA 60 Cb 0.58 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1a5e h ALA 60 CO 0.00 -0.50 -0.27 1.49 0.00 0.00 0.00 179.25 179.97 1a5e h GLU 61 N 0.06 -0.60 -0.64 0.00 4.81 -1.54 0.52 114.58 117.19 1a5e h GLU 61 Ca 0.53 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.89 1a5e h GLU 61 Cb 1.02 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 1a5e h GLU 61 CO -0.81 -0.40 -0.43 1.25 -0.73 0.00 0.00 179.01 177.89 1a5e h LEU 62 N -0.62 -1.49 0.50 1.64 6.46 -0.66 0.74 115.31 121.89 1a5e h LEU 62 Ca -0.03 0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1a5e h LEU 62 Cb 0.54 0.69 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1a5e h LEU 62 CO -0.01 -0.32 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.18 1a5e h LEU 63 N -0.19 -0.57 -0.47 2.25 4.07 -1.15 -2.17 115.31 117.08 1a5e h LEU 63 Ca 0.20 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.22 1a5e h LEU 63 Cb 0.56 0.15 -0.10 0.00 1.08 0.00 0.00 40.66 42.35 1a5e h LEU 63 CO -0.73 -0.16 -0.26 0.25 -1.08 0.00 0.00 178.44 176.45 1a5e h LEU 64 N -1.12 -0.90 -1.62 1.67 6.46 0.34 1.67 115.31 121.82 1a5e h LEU 64 Ca -0.07 0.19 0.13 0.00 -0.12 0.00 0.00 57.88 58.01 1a5e h LEU 64 Cb 0.57 0.46 -0.04 0.00 -0.73 0.00 0.00 40.66 40.91 1a5e h LEU 64 CO 0.11 -0.28 0.46 0.25 -0.62 0.00 0.00 178.44 178.37 1a5e h LEU 65 N -0.16 0.37 0.03 2.25 5.85 0.43 -2.47 115.31 121.60 1a5e h LEU 65 Ca 0.21 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1a5e h LEU 65 Cb 0.50 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1a5e h LEU 65 CO -0.56 0.20 -0.40 0.45 -0.34 0.00 0.00 178.44 177.78 1a5e h HIS 66 N 0.40 0.11 0.00 1.25 3.86 0.75 -3.48 115.15 118.04 1a5e h HIS 66 Ca 0.33 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1a5e h HIS 66 Cb 0.75 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1a5e h HIS 66 CO -0.00 1.16 0.00 0.41 0.86 0.00 0.00 177.93 180.36 1a5e n GLY 67 N 1.60 0.00 0.90 2.45 0.00 0.52 -4.96 105.19 105.69 1a5e n GLY 67 Ca -0.15 0.00 -0.08 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 -0.92 -3.19 4.61 0.00 -0.43 -3.98 120.51 116.60 1a5e n ALA 68 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 53.44 52.75 1a5e n ALA 68 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.42 2.78 0.22 0.00 -0.58 -1.26 -4.84 120.64 114.53 1a5e n GLU 69 Ca 0.04 -4.70 0.08 0.00 -0.42 0.00 0.00 57.16 52.16 1a5e n GLU 69 Cb 0.15 -2.21 0.48 0.00 -0.57 0.00 0.00 31.44 29.29 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1a5e h PRO 70 N 3.59 0.00 0.00 3.49 0.13 -1.88 -3.34 132.00 133.99 1a5e h PRO 70 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1a5e h PRO 70 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1a5e h PRO 70 CO 0.81 0.27 -0.41 -1.71 -0.23 0.00 0.00 178.00 176.73 1a5e n ASN 71 N -3.66 1.19 -3.97 1.44 5.15 -1.25 -4.49 115.26 109.67 1a5e n ASN 71 Ca -0.01 0.43 -0.27 0.00 -0.60 0.00 0.00 54.58 54.12 1a5e n ASN 71 Cb 0.39 -0.72 0.19 0.00 -0.53 0.00 0.00 39.78 39.11 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5e n ALA 73 N -4.63 -0.17 -2.52 0.00 0.00 -1.26 -4.46 120.51 107.47 1a5e n ALA 73 Ca 0.04 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1a5e n ALA 73 Cb 0.53 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1a5e n ALA 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5e s ASP 74 N -1.17 7.12 0.33 0.00 1.01 -1.24 -4.93 116.67 117.80 1a5e s ASP 74 Ca 0.01 1.35 0.26 0.00 0.71 0.00 0.00 52.55 54.88 1a5e s ASP 74 Cb -0.00 -2.44 1.11 0.00 1.01 0.00 0.00 42.92 42.59 1a5e s ASP 74 CO 0.01 -0.03 1.78 1.55 0.21 0.00 0.00 175.17 178.69 1a5e h PRO 75 N 6.06 0.00 0.00 8.23 0.13 -1.96 -2.10 132.00 142.36 1a5e h PRO 75 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1a5e h PRO 75 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1a5e h PRO 75 CO 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1a5e n ALA 76 N -1.85 0.00 -1.49 -0.56 0.00 -1.26 -3.91 120.51 111.43 1a5e n ALA 76 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1a5e n ALA 76 Cb 0.23 0.05 0.15 0.00 0.00 0.00 0.00 19.45 19.89 1a5e n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a5e n THR 77 N -0.37 2.82 -2.87 0.00 -2.24 -1.26 -4.91 114.28 105.44 1a5e n THR 77 Ca 0.00 -2.89 -0.16 0.00 -2.27 0.00 0.00 64.05 58.73 1a5e n THR 77 Cb 0.00 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1a5e n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a5e n LEU 78 N -1.04 -1.19 -4.55 3.22 4.77 -0.79 -1.10 117.00 116.31 1a5e n LEU 78 Ca 0.44 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 1a5e n LEU 78 Cb 1.07 -2.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1a5e n LEU 78 CO 0.38 0.02 1.74 -0.89 -1.33 0.00 0.00 177.39 177.30 1a5e s THR 79 N -2.69 3.10 0.47 -5.08 2.01 -1.21 -4.12 115.64 108.11 1a5e s THR 79 Ca 0.18 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 1a5e s THR 79 Cb -0.10 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 1a5e s THR 79 CO 0.23 -0.25 1.10 -0.60 -0.69 0.00 0.00 174.62 174.41 1a5e s ARG 80 N 8.09 3.79 0.58 4.92 6.06 -1.26 -3.69 118.95 137.44 1a5e s ARG 80 Ca 0.89 1.59 0.36 0.00 -2.50 0.00 0.00 55.73 56.07 1a5e s ARG 80 Cb -0.15 -2.29 1.70 0.00 0.06 0.00 0.00 34.95 34.27 1a5e s ARG 80 CO 0.20 -0.48 2.11 -1.00 -2.50 0.00 0.00 175.30 173.63 1a5e h PRO 81 N 1.89 0.00 -0.09 5.12 0.13 -1.80 -2.29 132.00 134.97 1a5e h PRO 81 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1a5e h PRO 81 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a5e h PRO 81 CO 0.60 0.02 0.10 0.28 -0.23 0.00 0.00 178.00 178.76 1a5e h VAL 82 N 0.00 0.53 -0.15 1.56 2.07 -1.86 -1.19 116.25 117.21 1a5e h VAL 82 Ca -0.00 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 1a5e h VAL 82 Cb 0.34 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1a5e h VAL 82 CO 0.00 0.00 -0.67 0.45 0.02 0.00 0.00 177.57 177.38 1a5e h HIS 83 N 0.00 0.95 -0.82 1.57 3.86 -1.75 -3.11 115.15 115.86 1a5e h HIS 83 Ca 0.04 -0.41 0.18 0.00 -1.16 0.00 0.00 60.37 59.02 1a5e h HIS 83 Cb 0.23 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 28.44 1a5e h HIS 83 CO 0.00 1.23 0.32 -0.44 0.86 0.00 0.00 177.93 179.90 1a5e h ASP 84 N 0.40 0.26 0.46 2.45 5.19 -1.36 1.55 116.42 125.37 1a5e h ASP 84 Ca -0.04 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1a5e h ASP 84 Cb 1.30 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.94 1a5e h ASP 84 CO 0.14 0.04 -0.22 0.00 -3.12 0.00 0.00 179.24 176.07 1a5e h ALA 85 N 1.63 -1.00 0.21 3.45 0.00 -1.53 -2.96 119.26 119.06 1a5e h ALA 85 Ca 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1a5e h ALA 85 Cb 0.82 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a5e h ALA 85 CO -0.48 -0.95 -0.12 0.00 0.00 0.00 0.00 179.25 177.69 1a5e h ALA 86 N -1.62 -0.31 -1.45 0.00 0.00 -1.39 -0.25 119.26 114.24 1a5e h ALA 86 Ca -0.06 -0.06 0.47 0.00 0.00 0.00 0.00 54.91 55.26 1a5e h ALA 86 Cb 0.48 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 1a5e h ALA 86 CO 0.10 -0.68 0.96 -0.09 0.00 0.00 0.00 179.25 179.54 1a5e h ARG 87 N -0.32 0.04 -0.00 0.00 2.43 0.21 1.56 114.38 118.30 1a5e h ARG 87 Ca -0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1a5e h ARG 87 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1a5e h ARG 87 CO 0.03 0.03 -0.78 -1.91 -1.51 0.00 0.00 179.97 175.82 1a5e n GLU 88 N -4.57 0.22 -1.18 0.20 4.07 -0.97 -4.95 120.64 113.45 1a5e n GLU 88 Ca 0.39 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1a5e n GLU 88 Cb 1.57 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 31.46 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 1.48 0.52 3.35 8.31 0.00 0.53 -4.99 105.19 114.39 1a5e n GLY 89 Ca 0.06 -0.87 -0.46 0.00 0.00 0.00 0.00 46.02 44.75 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 4.01 0.27 1.61 2.19 -0.18 -4.82 117.98 119.06 1a5e s PHE 90 Ca 0.00 -2.37 -0.02 0.00 0.33 0.00 0.00 56.93 54.87 1a5e s PHE 90 Cb 0.00 -3.88 0.41 0.00 -1.31 0.00 0.00 43.02 38.24 1a5e s PHE 90 CO 0.00 -1.01 1.90 1.25 1.83 0.00 0.00 175.22 179.19 1a5e h LEU 91 N 7.38 1.03 -0.96 6.12 6.46 -1.91 -1.78 115.31 131.66 1a5e h LEU 91 Ca 0.16 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.13 1a5e h LEU 91 Cb 0.94 -0.22 -0.11 0.00 -0.73 0.00 0.00 40.66 40.53 1a5e h LEU 91 CO 0.94 0.68 0.54 -0.78 -0.62 0.00 0.00 178.44 179.19 1a5e h ASP 92 N 1.18 0.62 -0.24 1.25 3.58 -1.96 0.61 116.42 121.46 1a5e h ASP 92 Ca 0.41 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1a5e h ASP 92 Cb 0.10 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1a5e h ASP 92 CO -0.15 0.17 0.16 0.74 -2.88 0.00 0.00 179.24 177.28 1a5e h THR 93 N 0.62 1.06 0.05 2.25 2.02 -1.65 -2.44 112.91 114.83 1a5e h THR 93 Ca 0.57 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.64 1a5e h THR 93 Cb 0.98 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1a5e h THR 93 CO -0.43 0.06 -0.02 -0.07 0.37 0.00 0.00 175.52 175.42 1a5e h LEU 94 N 0.33 -0.06 -0.75 2.58 4.07 0.18 -2.43 115.31 119.23 1a5e h LEU 94 Ca 0.09 -0.53 0.15 0.00 0.08 0.00 0.00 57.88 57.67 1a5e h LEU 94 Cb -0.04 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.62 1a5e h LEU 94 CO -0.02 0.53 0.24 0.58 -1.08 0.00 0.00 178.44 178.69 1a5e h VAL 95 N -0.67 0.57 -0.09 1.22 2.07 -1.08 -0.12 116.25 118.15 1a5e h VAL 95 Ca -0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1a5e h VAL 95 Cb 0.58 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1a5e h VAL 95 CO 0.01 0.06 0.05 0.58 0.02 0.00 0.00 177.57 178.29 1a5e h VAL 96 N 0.35 1.09 0.00 2.57 2.07 -1.46 0.67 116.25 121.53 1a5e h VAL 96 Ca 0.42 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1a5e h VAL 96 Cb 0.69 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1a5e h VAL 96 CO -0.46 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.38 1a5e n LEU 97 N -4.98 0.00 -0.32 2.57 4.32 -0.22 -2.28 117.00 116.10 1a5e n LEU 97 Ca -0.06 0.94 0.26 0.00 -0.02 0.00 0.00 56.01 57.14 1a5e n LEU 97 Cb 0.07 -0.44 0.58 0.00 -1.62 0.00 0.00 43.42 42.01 1a5e n LEU 97 CO 0.34 -0.44 1.25 -0.74 -1.22 0.00 0.00 177.39 176.57 1a5e h HIS 98 N 0.00 0.45 0.00 -1.77 2.76 -1.18 0.86 115.15 116.27 1a5e h HIS 98 Ca 0.00 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1a5e h HIS 98 Cb 0.00 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 1a5e h HIS 98 CO -0.02 0.04 -0.01 -0.09 -1.30 0.00 0.00 177.93 176.55 1a5e h ARG 99 N 0.27 0.00 -2.23 5.26 2.43 -0.42 -3.35 114.38 116.34 1a5e h ARG 99 Ca 0.58 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 59.25 1a5e h ARG 99 Cb 1.72 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.92 1a5e h ARG 99 CO -0.21 0.01 -0.82 0.00 -1.51 0.00 0.00 179.97 177.43 1a5e s ALA 100 N -4.11 0.50 -0.10 2.80 0.00 0.30 -5.04 121.76 116.11 1a5e s ALA 100 Ca -0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 1a5e s ALA 100 Cb 0.12 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1a5e s ALA 100 CO 0.45 -2.09 0.09 0.41 0.00 0.00 0.00 175.76 174.63 1a5e n GLY 101 N 3.63 -2.34 3.11 0.00 0.00 -1.24 -4.86 105.19 103.49 1a5e n GLY 101 Ca 0.18 0.72 0.04 0.00 0.00 0.00 0.00 46.02 46.96 1a5e n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e s ALA 102 N -0.52 -3.34 0.23 4.61 0.00 -1.25 -3.95 121.76 117.54 1a5e s ALA 102 Ca -0.11 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1a5e s ALA 102 Cb 0.01 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 1a5e s ALA 102 CO 0.37 -2.07 1.20 0.50 0.00 0.00 0.00 175.76 175.75 1a5e s ARG 103 N 2.65 4.50 -0.13 0.00 3.52 -1.26 -4.32 118.95 123.91 1a5e s ARG 103 Ca 0.19 1.93 0.17 0.00 -0.13 0.00 0.00 55.73 57.88 1a5e s ARG 103 Cb -0.04 -3.20 0.29 0.00 -1.56 0.00 0.00 34.95 30.44 1a5e s ARG 103 CO -0.21 -0.04 1.15 1.28 -0.81 0.00 0.00 175.30 176.67 1a5e n LEU 104 N 1.90 2.25 -2.21 -0.88 4.32 -1.26 -4.72 117.00 116.40 1a5e n LEU 104 Ca 0.02 -3.07 -0.19 0.00 -0.02 0.00 0.00 56.01 52.76 1a5e n LEU 104 Cb 0.44 -0.41 0.03 0.00 -1.62 0.00 0.00 43.42 41.85 1a5e n LEU 104 CO 0.56 0.77 0.14 -0.90 -1.22 0.00 0.00 177.39 176.74 1a5e n ASP 105 N -1.30 4.20 -2.59 -1.43 5.75 -1.26 -4.57 116.55 115.35 1a5e n ASP 105 Ca 0.15 -3.38 -0.04 0.00 -0.01 0.00 0.00 54.79 51.51 1a5e n ASP 105 Cb 0.65 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 40.38 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 -0.67 0.00 -4.17 2.12 3.14 -1.26 -5.05 118.33 112.43 1a5e n VAL 106 Ca 0.36 -0.40 -0.16 0.00 -2.96 0.00 0.00 64.34 61.18 1a5e n VAL 106 Cb 0.92 -0.83 -0.14 0.00 -1.06 0.00 0.00 33.84 32.74 1a5e n VAL 106 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1a5e s ARG 107 N -2.52 0.51 -1.49 1.45 0.52 -1.26 -4.29 118.95 111.87 1a5e s ARG 107 Ca 0.11 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 1a5e s ARG 107 Cb -0.01 -0.44 -0.08 0.00 0.52 0.00 0.00 34.95 34.94 1a5e s ARG 107 CO 0.07 0.11 2.77 -0.25 0.02 0.00 0.00 175.30 178.03 1a5e n ASP 108 N 2.51 7.80 0.00 0.23 8.00 -1.14 -4.64 116.55 129.32 1a5e n ASP 108 Ca -0.16 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 52.80 1a5e n ASP 108 Cb 0.57 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5e n ALA 109 N 3.87 0.00 -0.39 2.24 0.00 -0.26 -4.02 120.51 121.95 1a5e n ALA 109 Ca 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 54.07 1a5e n ALA 109 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 1a5e n ALA 109 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1a5e h TRP 110 N 0.00 -1.66 0.00 0.00 -0.00 -1.87 -3.45 115.95 108.96 1a5e h TRP 110 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1a5e h TRP 110 Cb 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 29.16 30.01 1a5e h TRP 110 CO 0.00 -0.39 0.00 0.41 -0.00 0.00 0.00 178.44 178.46 1a5e n GLY 111 N -1.32 0.49 3.53 1.49 0.00 -1.26 -5.14 105.19 102.98 1a5e n GLY 111 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.48 -4.57 1.61 5.12 -1.26 -4.75 116.66 112.32 1a5e n ARG 112 Ca 0.00 -0.09 -0.27 0.00 -1.93 0.00 0.00 57.85 55.57 1a5e n ARG 112 Cb 0.00 -2.10 -0.11 0.00 -1.16 0.00 0.00 32.46 29.10 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 -3.76 2.79 0.28 0.55 1.43 -1.26 -2.90 118.68 115.80 1a5e s LEU 113 Ca 0.62 -1.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1a5e s LEU 113 Cb -0.22 -0.96 0.41 0.00 0.03 0.00 0.00 46.19 45.46 1a5e s LEU 113 CO 0.63 -0.30 1.74 1.55 0.23 0.00 0.00 176.35 180.20 1a5e h PRO 114 N 1.93 0.52 0.08 1.29 0.13 -1.85 -2.55 132.00 131.56 1a5e h PRO 114 Ca -0.43 -0.18 -0.27 0.00 -0.87 0.00 0.00 66.00 64.25 1a5e h PRO 114 Cb 1.25 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1a5e h PRO 114 CO 0.74 0.70 -1.34 -0.24 -0.23 0.00 0.00 178.00 177.63 1a5e h VAL 115 N 0.47 1.35 -0.66 1.56 3.04 -1.94 -3.32 116.25 116.75 1a5e h VAL 115 Ca 0.08 -3.01 -0.05 0.00 -1.01 0.00 0.00 66.70 62.70 1a5e h VAL 115 Cb 0.62 2.79 -0.03 0.00 -2.01 0.00 0.00 31.29 32.66 1a5e h VAL 115 CO 0.04 0.84 0.21 0.44 -1.01 0.00 0.00 177.57 178.09 1a5e h ASP 116 N 0.04 0.93 0.01 3.17 3.32 -1.93 -1.81 116.42 120.15 1a5e h ASP 116 Ca -0.16 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1a5e h ASP 116 Cb 1.94 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 41.25 1a5e h ASP 116 CO 0.16 0.86 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.47 1a5e h LEU 117 N 0.96 0.00 0.00 1.55 3.38 -1.55 -0.97 115.31 118.69 1a5e h LEU 117 Ca 0.22 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1a5e h LEU 117 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1a5e h LEU 117 CO -0.01 0.00 -1.01 0.00 0.09 0.00 0.00 178.44 177.51 1a5e h ALA 118 N 2.00 0.57 -0.28 1.53 0.00 -1.46 -2.72 119.26 118.89 1a5e h ALA 118 Ca -0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 54.91 53.90 1a5e h ALA 118 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5e h ALA 118 CO 0.00 1.04 -0.51 0.93 0.00 0.00 0.00 179.25 180.71 1a5e h GLU 119 N 0.00 0.84 -0.02 0.00 5.08 -0.96 -2.36 114.58 117.16 1a5e h GLU 119 Ca -0.07 -0.53 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1a5e h GLU 119 Cb 1.65 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1a5e h GLU 119 CO 0.09 1.16 -0.25 0.93 -1.00 0.00 0.00 179.01 179.94 1a5e h GLU 120 N 0.61 0.21 0.00 2.33 4.39 -1.57 -3.41 114.58 117.14 1a5e h GLU 120 Ca 0.01 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1a5e h GLU 120 Cb 1.12 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1a5e h GLU 120 CO 0.12 0.89 0.00 1.28 -1.16 0.00 0.00 179.01 180.13 1a5e n LEU 121 N -4.51 0.08 0.00 1.33 4.32 -1.03 -5.00 117.00 112.20 1a5e n LEU 121 Ca -0.09 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1a5e n LEU 121 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1a5e n LEU 121 CO 0.39 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1a5e n GLY 122 N 1.45 0.00 2.83 -0.72 0.00 -1.02 -5.03 105.19 102.69 1a5e n GLY 122 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.90 -0.37 1.61 8.25 -0.92 -4.75 115.22 121.95 1a5e n HIS 123 Ca 0.00 -2.36 0.29 0.00 -0.26 0.00 0.00 57.72 55.39 1a5e n HIS 123 Cb 0.00 -1.23 0.55 0.00 1.12 0.00 0.00 29.99 30.43 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 2.90 0.23 -0.52 -0.41 9.65 -1.96 0.79 114.38 125.05 1a5e h ARG 124 Ca 0.56 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.43 1a5e h ARG 124 Cb 0.15 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 1a5e h ARG 124 CO 1.41 0.15 0.33 -0.44 2.80 0.00 0.00 179.97 184.22 1a5e h ASP 125 N 0.24 0.61 0.12 -3.80 5.19 -1.93 -1.75 116.42 115.10 1a5e h ASP 125 Ca 0.75 -0.04 -0.23 0.00 -0.62 0.00 0.00 57.03 56.89 1a5e h ASP 125 Cb 1.98 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 41.36 1a5e h ASP 125 CO -0.50 0.47 -0.96 0.58 -3.12 0.00 0.00 179.24 175.71 1a5e h VAL 126 N 0.70 1.41 -0.93 -1.35 2.07 0.00 -3.20 116.25 114.96 1a5e h VAL 126 Ca 0.19 -2.45 0.18 0.00 0.82 0.00 0.00 66.70 65.44 1a5e h VAL 126 Cb -0.04 2.95 -0.11 0.00 -1.52 0.00 0.00 31.29 32.57 1a5e h VAL 126 CO -0.04 0.71 0.51 0.00 0.02 0.00 0.00 177.57 178.78 1a5e h ALA 127 N 0.18 1.49 0.57 1.67 0.00 -0.06 0.51 119.26 123.62 1a5e h ALA 127 Ca -0.16 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1a5e h ALA 127 Cb 1.71 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.49 1a5e h ALA 127 CO 0.18 -0.12 -0.27 -0.09 0.00 0.00 0.00 179.25 178.95 1a5e h ARG 128 N 0.65 -0.74 -0.91 0.00 1.12 -1.38 -1.20 114.38 111.92 1a5e h ARG 128 Ca 0.53 0.05 0.12 0.00 -1.11 0.00 0.00 59.98 59.58 1a5e h ARG 128 Cb 0.84 0.17 -0.08 0.00 -0.01 0.00 0.00 29.97 30.89 1a5e h ARG 128 CO -0.40 -0.49 0.53 -0.92 -3.11 0.00 0.00 179.97 175.58 1a5e h TYR 129 N -0.81 0.96 0.39 2.20 5.03 -1.42 -2.46 116.97 120.85 1a5e h TYR 129 Ca -0.08 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1a5e h TYR 129 Cb 0.59 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 1a5e h TYR 129 CO 0.08 0.34 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.96 1a5e h LEU 130 N 0.83 -0.60 -1.61 2.82 3.38 0.10 0.99 115.31 121.22 1a5e h LEU 130 Ca 0.46 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.70 1a5e h LEU 130 Cb 0.52 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1a5e h LEU 130 CO -0.29 -0.37 0.83 -0.09 0.09 0.00 0.00 178.44 178.62 1a5e h ARG 131 N -0.59 0.00 0.00 1.13 1.12 -1.02 1.90 114.38 116.92 1a5e h ARG 131 Ca -0.05 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 1a5e h ARG 131 Cb 0.47 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1a5e h ARG 131 CO 0.06 0.00 -0.43 0.00 -3.11 0.00 0.00 179.97 176.49 1a5e h ALA 132 N 1.08 0.03 0.00 2.80 0.00 -0.87 -2.47 119.26 119.83 1a5e h ALA 132 Ca 0.38 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a5e h ALA 132 Cb 2.04 0.38 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1a5e h ALA 132 CO -0.00 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1a5e n ALA 133 N -3.35 2.32 -0.08 0.00 0.00 0.34 -3.52 120.51 116.21 1a5e n ALA 133 Ca -0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1a5e n ALA 133 Cb 0.25 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.18 1.67 0.00 0.00 0.00 0.64 -4.50 120.51 117.14 1a5e n ALA 134 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1a5e n ALA 134 Cb 0.15 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 2.74 2.17 5.00 0.00 0.00 -0.93 -4.49 105.19 109.68 1a5e n GLY 135 Ca -0.27 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 2.06 3.65 -0.02 0.00 -1.22 -4.67 105.19 105.00 1a5e n GLY 136 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 1a5e n GLY 136 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a5e n THR 137 N 0.00 0.17 -0.43 2.61 5.66 -1.26 -4.98 114.28 116.05 1a5e n THR 137 Ca 0.00 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1a5e n THR 137 Cb 0.00 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.38 1a5e n THR 137 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1a5e n ARG 138 N 3.01 2.03 0.00 1.09 1.74 -1.26 -4.68 116.66 118.60 1a5e n ARG 138 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1a5e n ARG 138 Cb 0.28 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 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 5.00 0.97 1.14 -0.13 0.00 -1.26 -4.71 105.19 106.21 1a5e n GLY 139 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 4.80 0.30 -3.81 1.61 7.64 -1.26 -5.12 113.62 117.78 1a5e n SER 140 Ca 0.00 -1.28 -0.13 0.00 1.01 0.00 0.00 58.87 58.47 1a5e n SER 140 Cb 0.00 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 1a5e n SER 140 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1a5e s ASN 141 N -2.26 -0.05 -1.21 6.43 0.01 -1.26 -4.88 114.94 111.71 1a5e s ASN 141 Ca 0.20 0.14 -0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1a5e s ASN 141 Cb -0.01 0.10 -0.00 0.00 0.41 0.00 0.00 41.25 41.75 1a5e s ASN 141 CO 0.14 -0.07 0.94 1.41 -1.51 0.00 0.00 177.10 178.01 1a5e n HIS 142 N 3.48 -2.15 -0.16 2.20 8.25 -1.26 -4.91 115.22 120.67 1a5e n HIS 142 Ca -0.18 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1a5e n HIS 142 Cb 0.56 -4.93 0.00 0.00 1.12 0.00 0.00 29.99 26.75 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5e n ALA 143 N -4.13 1.28 -2.66 -1.41 0.00 -1.26 -4.99 120.51 107.35 1a5e n ALA 143 Ca -0.28 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1a5e n ALA 143 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 1a5e n ALA 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a5e s ARG 144 N -0.35 3.27 0.25 0.00 6.06 -1.26 -5.00 118.95 121.91 1a5e s ARG 144 Ca 0.00 -0.31 -0.30 0.00 -2.50 0.00 0.00 55.73 52.62 1a5e s ARG 144 Cb 0.00 -4.12 -0.10 0.00 0.06 0.00 0.00 34.95 30.79 1a5e s ARG 144 CO 0.00 -1.77 1.37 -1.50 -2.50 0.00 0.00 175.30 170.90 1a5e s ILE 145 N 4.62 2.83 -0.42 4.11 1.10 -1.26 -4.96 121.20 127.22 1a5e s ILE 145 Ca 0.32 0.72 -0.25 0.00 -0.51 0.00 0.00 60.65 60.93 1a5e s ILE 145 Cb -0.12 -3.46 0.02 0.00 0.15 0.00 0.00 42.46 39.06 1a5e s ILE 145 CO 0.17 0.12 0.86 -0.62 -2.11 0.00 0.00 174.94 173.37 1a5e s ASP 146 N 0.18 6.52 0.00 4.50 2.15 -1.26 -4.83 116.67 123.93 1a5e s ASP 146 Ca 0.56 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1a5e s ASP 146 Cb -0.40 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1a5e s ASP 146 CO 0.44 -0.92 0.00 0.00 -0.17 0.00 0.00 175.17 174.52 1a5e n ALA 147 N 6.84 0.00 -2.12 3.66 0.00 -1.26 -5.12 120.51 122.51 1a5e n ALA 147 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1a5e n ALA 147 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 -2.01 -2.61 0.00 0.00 -1.26 -4.92 120.51 109.71 1a5e n ALA 148 Ca 0.00 0.49 -0.38 0.00 0.00 0.00 0.00 53.44 53.55 1a5e n ALA 148 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 1a5e n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a5e s GLU 149 N -0.57 3.82 -0.09 0.00 2.02 -1.26 -5.07 118.70 117.56 1a5e s GLU 149 Ca 0.00 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 54.44 1a5e s GLU 149 Cb 0.00 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.51 1a5e s GLU 149 CO 0.00 -0.24 0.36 0.20 0.02 0.00 0.00 175.26 175.60 1a5e s GLY 150 N 1.74 2.35 0.00 -1.39 0.00 -1.26 -5.04 107.32 103.72 1a5e s GLY 150 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1a5e s GLY 150 CO 0.10 0.31 0.14 -1.55 0.00 0.00 0.00 173.10 172.11 1a5e n PRO 151 N 2.75 0.00 -1.79 2.90 -0.04 -1.26 -4.88 135.00 132.69 1a5e n PRO 151 Ca -0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.13 1a5e n PRO 151 Cb 0.52 -0.54 -0.07 0.00 -0.04 0.00 0.00 33.50 33.37 1a5e n PRO 151 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a5e n SER 152 N -0.31 -5.51 -4.31 3.54 2.88 -1.26 -4.93 113.62 103.72 1a5e n SER 152 Ca 0.00 0.39 -0.33 0.00 -1.33 0.00 0.00 58.87 57.59 1a5e n SER 152 Cb 0.00 -4.80 0.12 0.00 -0.75 0.00 0.00 64.21 58.78 1a5e n SER 152 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a5e n ASP 153 N -1.49 -2.66 -4.08 -3.46 2.03 -1.26 -4.91 116.55 100.71 1a5e n ASP 153 Ca -0.21 0.18 -0.35 0.00 0.52 0.00 0.00 54.79 54.92 1a5e n ASP 153 Cb 0.68 -1.06 -0.07 0.00 -0.72 0.00 0.00 41.12 39.94 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1a5e s ILE 154 N -2.29 4.16 -0.63 5.18 -1.09 -1.26 -5.03 121.20 120.24 1a5e s ILE 154 Ca 0.54 -3.85 -0.27 0.00 -2.23 0.00 0.00 60.65 54.84 1a5e s ILE 154 Cb -0.17 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1a5e s ILE 154 CO 0.69 -1.06 1.67 -2.16 -1.23 0.00 0.00 174.94 172.84 1a5e s PRO 155 N -1.27 2.85 0.00 2.79 0.04 -1.26 -5.36 135.00 132.80 1a5e s PRO 155 Ca 0.26 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1a5e s PRO 155 Cb -0.08 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1a5e s PRO 155 CO -0.12 -2.48 0.00 -3.47 0.04 0.00 0.00 177.00 170.96