#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 -0.07 -7.06 0.03 5.08 -2.08 -3.45 114.58 107.02 1a5e h GLU 2 Ca 0.00 0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.87 1a5e h GLU 2 Cb 0.00 0.02 0.07 0.00 0.50 0.00 0.00 28.75 29.33 1a5e h GLU 2 CO 0.00 -0.05 0.44 -1.25 -1.00 0.00 0.00 179.01 177.15 1a5e s PRO 3 N -1.75 3.51 -0.55 2.33 0.04 -1.26 -4.24 135.00 133.08 1a5e s PRO 3 Ca -0.01 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.55 1a5e s PRO 3 Cb 0.00 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1a5e s PRO 3 CO 0.03 -0.73 0.64 0.00 0.04 0.00 0.00 177.00 176.98 1a5e n ALA 4 N -1.05 -2.82 -3.64 8.56 0.00 -1.26 -5.02 120.51 115.28 1a5e n ALA 4 Ca 0.10 0.74 -0.29 0.00 0.00 0.00 0.00 53.44 53.99 1a5e n ALA 4 Cb 0.50 -2.94 -0.15 0.00 0.00 0.00 0.00 19.45 16.87 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 -2.74 1.07 -0.12 0.00 0.00 -1.26 -4.96 121.76 113.74 1a5e s ALA 5 Ca 0.16 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.52 1a5e s ALA 5 Cb -0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1a5e s ALA 5 CO 0.77 -1.63 0.84 0.20 0.00 0.00 0.00 175.76 175.93 1a5e s GLY 6 N 1.86 2.32 -0.19 0.00 0.00 -1.26 -4.91 107.32 105.14 1a5e s GLY 6 Ca 0.09 0.14 0.20 0.00 0.00 0.00 0.00 44.72 45.15 1a5e s GLY 6 CO -0.30 1.60 1.20 1.44 0.00 0.00 0.00 173.10 177.03 1a5e n SER 7 N 4.78 0.65 -3.20 1.64 7.64 -1.26 -5.05 113.62 118.81 1a5e n SER 7 Ca 0.04 -2.05 -0.18 0.00 1.01 0.00 0.00 58.87 57.69 1a5e n SER 7 Cb 0.49 -0.15 0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1a5e n SER 7 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a5e n SER 8 N -0.46 -6.56 -0.00 6.43 2.88 -1.26 -4.94 113.62 109.70 1a5e n SER 8 Ca -0.01 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1a5e n SER 8 Cb 0.89 -2.80 -0.00 0.00 -0.75 0.00 0.00 64.21 61.54 1a5e n SER 8 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1a5e n MET 9 N 0.30 6.05 -1.78 -1.46 3.85 -1.26 -5.02 117.12 117.79 1a5e n MET 9 Ca -0.01 -0.00 -0.42 0.00 -1.00 0.00 0.00 57.70 56.27 1a5e n MET 9 Cb 0.51 -0.59 -0.03 0.00 -1.05 0.00 0.00 33.22 32.06 1a5e n MET 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1a5e s GLU 10 N -1.18 4.15 -1.23 3.17 8.01 -1.26 -4.85 118.70 125.50 1a5e s GLU 10 Ca 0.00 2.55 -0.20 0.00 0.01 0.00 0.00 54.97 57.32 1a5e s GLU 10 Cb 0.01 -3.09 -0.00 0.00 -4.31 0.00 0.00 34.13 26.74 1a5e s GLU 10 CO 0.03 -0.70 1.82 -1.25 0.01 0.00 0.00 175.26 175.17 1a5e s PRO 11 N 0.95 3.29 -0.18 0.39 0.04 -1.26 -3.94 135.00 134.28 1a5e s PRO 11 Ca 0.72 -1.57 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1a5e s PRO 11 Cb -0.48 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 28.67 1a5e s PRO 11 CO 0.34 -3.04 0.00 -1.13 0.04 0.00 0.00 177.00 173.20 1a5e n SER 12 N 11.18 -5.32 0.07 6.66 3.41 -1.26 -4.82 113.62 123.53 1a5e n SER 12 Ca 0.46 0.04 -0.13 0.00 -0.26 0.00 0.00 58.87 58.99 1a5e n SER 12 Cb 0.46 -2.96 -0.13 0.00 -0.26 0.00 0.00 64.21 61.32 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5e h ALA 13 N 0.00 0.29 -0.00 7.33 0.00 -1.96 -3.27 119.26 121.65 1a5e h ALA 13 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1a5e h ALA 13 Cb 0.81 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1a5e h ALA 13 CO 0.05 1.17 -0.06 -3.47 0.00 0.00 0.00 179.25 176.94 1a5e n ASP 14 N -3.40 0.17 0.00 0.00 2.03 -1.26 -3.64 116.55 110.45 1a5e n ASP 14 Ca -0.09 -0.24 0.07 0.00 0.52 0.00 0.00 54.79 55.05 1a5e n ASP 14 Cb 1.01 -0.21 0.39 0.00 -0.72 0.00 0.00 41.12 41.59 1a5e n ASP 14 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1a5e n TRP 15 N -1.20 0.00 -0.07 -0.67 -0.00 -1.23 -2.90 117.44 111.37 1a5e n TRP 15 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.48 1a5e n TRP 15 Cb 0.26 -0.20 -0.13 0.00 -0.00 0.00 0.00 31.31 31.25 1a5e n TRP 15 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1a5e h LEU 16 N 0.00 0.03 -0.15 5.87 3.38 -1.81 -2.99 115.31 119.65 1a5e h LEU 16 Ca 0.00 -0.94 -0.05 0.00 0.09 0.00 0.00 57.88 56.98 1a5e h LEU 16 Cb 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a5e h LEU 16 CO 0.00 1.08 -0.09 0.00 0.09 0.00 0.00 178.44 179.52 1a5e h ALA 17 N -0.05 0.21 0.44 1.53 0.00 -1.77 -2.06 119.26 117.56 1a5e h ALA 17 Ca -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1a5e h ALA 17 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1a5e h ALA 17 CO -0.01 0.04 -0.32 1.79 0.00 0.00 0.00 179.25 180.74 1a5e h THR 18 N -0.03 0.00 -0.64 0.00 1.35 -1.69 0.12 112.91 112.02 1a5e h THR 18 Ca 0.03 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.01 1a5e h THR 18 Cb 0.59 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.92 1a5e h THR 18 CO 0.03 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 175.48 1a5e h ALA 19 N -1.35 0.81 -0.19 6.62 0.00 -1.62 0.22 119.26 123.74 1a5e h ALA 19 Ca -0.06 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a5e h ALA 19 Cb 0.60 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1a5e h ALA 19 CO 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.03 1a5e h ALA 20 N 1.49 0.18 0.00 0.00 0.00 -1.16 -1.09 119.26 118.68 1a5e h ALA 20 Ca 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1a5e h ALA 20 Cb 0.50 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a5e h ALA 20 CO -0.39 -0.41 -0.09 0.00 0.00 0.00 0.00 179.25 178.36 1a5e h ALA 21 N 1.14 1.33 -0.43 0.00 0.00 0.11 -2.17 119.26 119.25 1a5e h ALA 21 Ca 0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1a5e h ALA 21 Cb 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1a5e h ALA 21 CO -0.13 0.11 0.21 0.54 0.00 0.00 0.00 179.25 179.99 1a5e n ARG 22 N -3.68 2.13 -2.67 0.00 1.74 -0.04 -4.16 116.66 109.98 1a5e n ARG 22 Ca -0.02 -1.56 -0.10 0.00 -0.77 0.00 0.00 57.85 55.41 1a5e n ARG 22 Cb 0.20 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5e n GLY 23 N -0.10 -0.49 3.25 -0.13 0.00 -0.82 -4.86 105.19 102.04 1a5e n GLY 23 Ca 0.24 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.23 3.00 -0.04 1.61 3.52 -0.68 -4.92 118.95 116.21 1a5e s ARG 24 Ca 0.09 -2.19 -0.22 0.00 -0.13 0.00 0.00 55.73 53.27 1a5e s ARG 24 Cb -0.05 -4.13 -0.16 0.00 -1.56 0.00 0.00 34.95 29.05 1a5e s ARG 24 CO 0.10 -1.25 0.97 0.28 -0.81 0.00 0.00 175.30 174.60 1a5e h VAL 25 N 5.40 0.84 -0.96 7.11 2.07 -1.89 -3.11 116.25 125.71 1a5e h VAL 25 Ca -0.06 -1.02 0.24 0.00 0.82 0.00 0.00 66.70 66.68 1a5e h VAL 25 Cb 1.04 1.37 -0.13 0.00 -1.52 0.00 0.00 31.29 32.05 1a5e h VAL 25 CO 0.81 0.20 0.50 -0.33 0.02 0.00 0.00 177.57 178.78 1a5e h GLU 26 N -0.82 0.46 0.41 1.57 5.08 -1.98 0.64 114.58 119.94 1a5e h GLU 26 Ca -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1a5e h GLU 26 Cb 0.52 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1a5e h GLU 26 CO 0.04 0.30 -0.23 0.93 -1.00 0.00 0.00 179.01 179.05 1a5e h GLU 27 N 0.47 -0.58 -0.02 2.33 4.39 -1.95 -2.68 114.58 116.54 1a5e h GLU 27 Ca 0.62 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.35 1a5e h GLU 27 Cb 1.20 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1a5e h GLU 27 CO -0.52 -0.39 0.01 0.28 -1.16 0.00 0.00 179.01 177.23 1a5e h VAL 28 N -0.61 1.19 -0.85 3.13 2.07 -1.06 -1.04 116.25 119.09 1a5e h VAL 28 Ca -0.05 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 67.05 1a5e h VAL 28 Cb 0.49 1.54 -0.15 0.00 -1.52 0.00 0.00 31.29 31.65 1a5e h VAL 28 CO 0.06 0.15 -0.26 0.54 0.02 0.00 0.00 177.57 178.08 1a5e n ARG 29 N -4.95 -0.12 -0.05 1.57 5.12 0.21 -0.98 116.66 117.46 1a5e n ARG 29 Ca -0.07 1.32 -0.11 0.00 -1.93 0.00 0.00 57.85 57.06 1a5e n ARG 29 Cb 0.14 -1.96 -0.10 0.00 -1.16 0.00 0.00 32.46 29.39 1a5e n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a5e h ALA 30 N 1.49 -0.02 -1.27 7.54 0.00 -1.40 -2.98 119.26 122.61 1a5e h ALA 30 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5e h ALA 30 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a5e h ALA 30 CO -0.86 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 179.62 1a5e n LEU 31 N -4.69 0.00 -0.29 0.00 4.77 -0.40 0.19 117.00 116.58 1a5e n LEU 31 Ca -0.08 0.79 0.09 0.00 -0.03 0.00 0.00 56.01 56.78 1a5e n LEU 31 Cb 0.35 -0.29 0.25 0.00 -2.33 0.00 0.00 43.42 41.39 1a5e n LEU 31 CO 0.26 -0.29 1.05 0.25 -1.33 0.00 0.00 177.39 177.33 1a5e h LEU 32 N 0.00 0.35 -0.01 2.23 5.85 -1.26 0.78 115.31 123.25 1a5e h LEU 32 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1a5e h LEU 32 Cb 0.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1a5e h LEU 32 CO 0.00 0.09 0.00 1.21 -0.34 0.00 0.00 178.44 179.40 1a5e n GLU 33 N -4.99 0.00 0.05 1.25 2.13 -0.96 -2.55 120.64 115.56 1a5e n GLU 33 Ca 0.18 0.14 0.12 0.00 0.66 0.00 0.00 57.16 58.27 1a5e n GLU 33 Cb 0.52 -1.51 0.24 0.00 0.27 0.00 0.00 31.44 30.97 1a5e n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5e n ALA 34 N -1.51 2.95 0.00 4.31 0.00 0.52 -4.88 120.51 121.90 1a5e n ALA 34 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1a5e n ALA 34 Cb 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.25 1.05 0.00 0.00 -1.03 -5.06 105.19 102.78 1a5e n GLY 35 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 36 N 0.00 -1.05 -2.68 4.61 0.00 -1.15 -4.99 120.51 115.25 1a5e n ALA 36 Ca 0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.57 1a5e n ALA 36 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 1a5e n ALA 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5e s LEU 37 N 0.00 4.17 0.35 0.00 2.01 -1.26 -4.95 118.68 119.00 1a5e s LEU 37 Ca 0.21 0.50 0.27 0.00 0.01 0.00 0.00 54.13 55.12 1a5e s LEU 37 Cb -0.02 -2.47 1.06 0.00 0.01 0.00 0.00 46.19 44.77 1a5e s LEU 37 CO 0.16 -0.03 1.80 1.55 1.01 0.00 0.00 176.35 180.84 1a5e h PRO 38 N 7.22 0.00 -0.94 1.29 0.13 -1.88 -3.24 132.00 134.58 1a5e h PRO 38 Ca -0.37 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.39 1a5e h PRO 38 Cb 1.16 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 1a5e h PRO 38 CO 0.72 0.00 -1.14 0.09 -0.23 0.00 0.00 178.00 177.45 1a5e n ASN 39 N -2.53 1.83 -4.75 1.44 5.03 -1.26 -3.55 115.26 111.47 1a5e n ASN 39 Ca 0.02 -2.70 -0.41 0.00 0.87 0.00 0.00 54.58 52.36 1a5e n ASN 39 Cb 0.28 -0.51 -0.04 0.00 -1.02 0.00 0.00 39.78 38.49 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 -3.29 3.41 0.89 5.41 0.00 -1.23 -5.03 121.76 121.93 1a5e s ALA 40 Ca 0.29 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 1a5e s ALA 40 Cb 0.43 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 20.31 1a5e s ALA 40 CO 0.01 -0.24 1.14 -1.25 0.00 0.00 0.00 175.76 175.41 1a5e s PRO 41 N -0.96 1.33 0.09 0.00 0.04 -1.26 -4.59 135.00 129.65 1a5e s PRO 41 Ca 0.48 0.32 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1a5e s PRO 41 Cb -0.32 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1a5e s PRO 41 CO 0.39 -2.07 0.04 0.09 0.04 0.00 0.00 177.00 175.49 1a5e n ASN 42 N -3.68 0.66 -0.85 6.66 3.02 -1.26 -4.92 115.26 114.89 1a5e n ASN 42 Ca 0.07 -1.48 0.07 0.00 -0.03 0.00 0.00 54.58 53.20 1a5e n ASN 42 Cb 0.59 0.27 0.21 0.00 -0.61 0.00 0.00 39.78 40.24 1a5e n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a5e n SER 43 N -2.17 3.43 -0.13 6.41 7.64 -1.26 -4.40 113.62 123.14 1a5e n SER 43 Ca -0.00 -2.31 0.01 0.00 1.01 0.00 0.00 58.87 57.58 1a5e n SER 43 Cb 0.14 -0.36 0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1a5e n SER 43 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1a5e n TYR 44 N 0.38 0.08 -2.60 1.43 4.01 -1.26 -4.97 117.16 114.24 1a5e n TYR 44 Ca 0.16 -0.41 -0.20 0.00 -0.16 0.00 0.00 57.90 57.29 1a5e n TYR 44 Cb 0.61 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.61 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5e n GLY 45 N -0.20 -0.44 0.00 2.72 0.00 -1.26 -4.97 105.19 101.03 1a5e n GLY 45 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.24 2.04 -3.82 1.61 5.12 -1.26 -4.79 116.66 112.32 1a5e n ARG 46 Ca -0.19 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.52 1a5e n ARG 46 Cb 0.65 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.92 1a5e n ARG 46 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1a5e s ARG 47 N -1.87 2.75 0.35 5.56 1.81 -1.26 -4.62 118.95 121.67 1a5e s ARG 47 Ca 0.00 -1.27 0.26 0.00 -1.72 0.00 0.00 55.73 53.00 1a5e s ARG 47 Cb 0.00 -2.50 1.21 0.00 -0.45 0.00 0.00 34.95 33.21 1a5e s ARG 47 CO 0.00 0.11 1.78 -1.00 -0.68 0.00 0.00 175.30 175.51 1a5e h PRO 48 N 1.25 0.00 0.00 3.54 0.13 -1.91 -3.07 132.00 131.94 1a5e h PRO 48 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 1a5e h PRO 48 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1a5e h PRO 48 CO 0.58 0.00 -1.80 -0.89 -0.23 0.00 0.00 178.00 175.67 1a5e n ILE 49 N -2.41 0.80 0.13 -3.56 5.41 -1.26 -4.45 119.36 114.03 1a5e n ILE 49 Ca 0.00 -0.34 0.18 0.00 1.00 0.00 0.00 62.75 63.60 1a5e n ILE 49 Cb 0.16 -0.95 0.66 0.00 -0.71 0.00 0.00 39.64 38.80 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 -0.70 0.38 4.20 -1.90 0.26 115.11 117.35 1a5e h GLN 50 Ca -0.31 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.93 1a5e h GLN 50 Cb 1.52 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 29.02 1a5e h GLN 50 CO -0.04 0.00 -0.02 1.55 -0.67 0.00 0.00 178.83 179.65 1a5e n VAL 51 N -3.30 2.89 -0.95 -0.54 3.14 -1.19 -4.67 118.33 113.71 1a5e n VAL 51 Ca 0.07 -3.26 -0.22 0.00 -2.96 0.00 0.00 64.34 57.97 1a5e n VAL 51 Cb 0.73 -0.84 0.13 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 -0.93 2.13 -0.42 1.45 0.00 0.92 -0.92 117.12 119.35 1a5e n MET 52 Ca 0.47 -2.58 0.00 0.00 0.00 0.00 0.00 57.70 55.59 1a5e n MET 52 Cb 0.95 -2.01 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 -0.81 0.00 -3.04 3.17 1.56 -1.22 -3.72 117.12 113.07 1a5e n MET 53 Ca 0.51 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.82 1a5e n MET 53 Cb 1.30 -3.80 -0.02 0.00 2.15 0.00 0.00 33.22 32.85 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 -2.37 0.00 2.12 2.81 -1.26 -4.65 117.12 111.76 1a5e n MET 54 Ca 0.00 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1a5e n MET 54 Cb 0.00 -4.53 0.00 0.00 -0.71 0.00 0.00 33.22 27.98 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 -0.65 -0.51 2.60 3.03 0.00 -1.24 -4.77 105.19 103.65 1a5e n GLY 55 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.29 1.25 0.59 1.61 0.01 -1.26 -4.97 113.70 110.64 1a5e s SER 56 Ca 0.00 -2.16 0.29 0.00 1.31 0.00 0.00 55.95 55.39 1a5e s SER 56 Cb 0.00 0.25 1.49 0.00 0.21 0.00 0.00 66.02 67.97 1a5e s SER 56 CO 0.00 -0.22 1.91 0.00 0.41 0.00 0.00 173.24 175.34 1a5e h ALA 57 N 6.38 2.14 -0.84 1.44 0.00 -1.91 -0.55 119.26 125.91 1a5e h ALA 57 Ca 0.12 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1a5e h ALA 57 Cb 1.00 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1a5e h ALA 57 CO 0.24 -0.68 0.36 0.00 0.00 0.00 0.00 179.25 179.16 1a5e h ARG 58 N 0.00 0.43 0.48 0.00 3.08 -1.94 -0.44 114.38 116.00 1a5e h ARG 58 Ca 0.20 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1a5e h ARG 58 Cb 1.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1a5e h ARG 58 CO -0.00 0.29 -0.23 0.28 -1.07 0.00 0.00 179.97 179.23 1a5e h VAL 59 N 0.44 0.53 -1.06 2.04 2.07 -1.47 -1.62 116.25 117.18 1a5e h VAL 59 Ca 0.49 -0.02 0.28 0.00 0.82 0.00 0.00 66.70 68.27 1a5e h VAL 59 Cb 0.83 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 1a5e h VAL 59 CO -0.46 0.00 0.69 0.00 0.02 0.00 0.00 177.57 177.82 1a5e h ALA 60 N -0.14 2.35 -0.17 1.67 0.00 -1.26 0.28 119.26 121.99 1a5e h ALA 60 Ca -0.07 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1a5e h ALA 60 Cb 0.50 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1a5e h ALA 60 CO 0.11 -0.76 0.00 1.49 0.00 0.00 0.00 179.25 180.09 1a5e h GLU 61 N 0.33 0.06 0.29 0.00 4.22 -0.15 0.70 114.58 120.03 1a5e h GLU 61 Ca 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.04 1a5e h GLU 61 Cb 1.63 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 1a5e h GLU 61 CO -0.27 0.04 -0.38 1.25 -2.18 0.00 0.00 179.01 177.47 1a5e h LEU 62 N 0.06 -1.06 -2.20 1.64 6.46 -0.18 0.18 115.31 120.21 1a5e h LEU 62 Ca 0.08 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1a5e h LEU 62 Cb 0.09 0.37 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1a5e h LEU 62 CO -0.13 -0.50 0.00 -0.07 -0.62 0.00 0.00 178.44 177.12 1a5e h LEU 63 N -0.72 0.00 0.21 2.25 -0.00 -1.12 -2.55 115.31 113.38 1a5e h LEU 63 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1a5e h LEU 63 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1a5e h LEU 63 CO -0.12 0.00 -0.10 -0.07 -0.00 0.00 0.00 178.44 178.15 1a5e h LEU 64 N 0.00 -0.24 -1.92 1.67 -0.00 0.20 1.06 115.31 116.08 1a5e h LEU 64 Ca 0.00 -0.24 0.18 0.00 -0.00 0.00 0.00 57.88 57.82 1a5e h LEU 64 Cb 0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 1a5e h LEU 64 CO -0.00 0.29 0.56 0.17 -0.00 0.00 0.00 178.44 179.46 1a5e h LEU 65 N -0.96 0.00 0.00 1.67 8.10 -0.54 0.81 115.31 124.40 1a5e h LEU 65 Ca -0.03 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.73 1a5e h LEU 65 Cb 0.47 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.65 1a5e h LEU 65 CO 0.05 0.00 -1.45 0.45 -4.11 0.00 0.00 178.44 173.38 1a5e h HIS 66 N 0.00 0.00 0.00 0.17 3.86 -1.39 -3.49 115.15 114.30 1a5e h HIS 66 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1a5e h HIS 66 Cb 1.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.87 1a5e h HIS 66 CO 0.00 0.86 0.00 0.41 0.86 0.00 0.00 177.93 180.06 1a5e n GLY 67 N 1.46 0.83 0.00 2.45 0.00 0.28 -4.82 105.19 105.39 1a5e n GLY 67 Ca -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.15 4.61 0.00 0.33 -4.47 120.51 117.84 1a5e n ALA 68 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1a5e n ALA 68 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 3.40 0.22 0.00 1.02 -1.26 -4.80 120.64 119.21 1a5e n GLU 69 Ca 0.00 -4.70 0.15 0.00 -0.02 0.00 0.00 57.16 52.59 1a5e n GLU 69 Cb 0.00 -2.33 0.62 0.00 -0.02 0.00 0.00 31.44 29.71 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a5e h PRO 70 N 4.16 0.00 0.00 3.49 0.13 -1.91 -3.32 132.00 134.55 1a5e h PRO 70 Ca 0.22 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.29 1a5e h PRO 70 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1a5e h PRO 70 CO 0.97 0.00 -1.10 -1.71 -0.23 0.00 0.00 178.00 175.94 1a5e n ASN 71 N -2.72 1.92 -4.44 1.44 5.15 -1.26 -4.32 115.26 111.02 1a5e n ASN 71 Ca 0.01 0.39 -0.40 0.00 -0.60 0.00 0.00 54.58 53.98 1a5e n ASN 71 Cb 0.26 -0.78 0.02 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.28 0.00 -2.52 0.00 0.00 -1.26 -4.43 120.51 111.02 1a5e n ALA 73 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1a5e n ALA 73 Cb 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 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 1.00 4.27 0.51 0.00 1.01 -1.21 -4.85 116.67 117.39 1a5e s ASP 74 Ca 0.00 -0.15 0.30 0.00 0.71 0.00 0.00 52.55 53.40 1a5e s ASP 74 Cb 0.00 -0.95 1.00 0.00 1.01 0.00 0.00 42.92 43.97 1a5e s ASP 74 CO 0.00 0.34 1.85 1.55 0.21 0.00 0.00 175.17 179.12 1a5e h PRO 75 N 5.16 0.00 0.39 8.23 0.13 -1.96 0.93 132.00 144.88 1a5e h PRO 75 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1a5e h PRO 75 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a5e h PRO 75 CO 0.51 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.10 1a5e h ALA 76 N 2.00 -0.52 0.00 -0.56 0.00 -1.95 -3.39 119.26 114.83 1a5e h ALA 76 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1a5e h ALA 76 Cb 0.69 0.20 -0.21 0.00 0.00 0.00 0.00 17.79 18.48 1a5e h ALA 76 CO 0.00 -0.54 -0.76 2.41 0.00 0.00 0.00 179.25 180.36 1a5e n THR 77 N -5.14 0.90 -4.24 0.00 -1.04 -1.24 -4.92 114.28 98.61 1a5e n THR 77 Ca -0.08 -1.83 -0.37 0.00 -2.04 0.00 0.00 64.05 59.73 1a5e n THR 77 Cb 0.26 0.46 -0.06 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.21 -0.89 -4.55 -4.42 4.77 0.32 -3.66 117.00 108.36 1a5e n LEU 78 Ca 0.11 -1.00 -0.38 0.00 -0.03 0.00 0.00 56.01 54.71 1a5e n LEU 78 Cb 0.93 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 1a5e n LEU 78 CO -0.04 0.12 1.46 -0.89 -1.33 0.00 0.00 177.39 176.71 1a5e s THR 79 N -3.11 3.48 0.71 -5.08 2.01 -1.25 -4.07 115.64 108.34 1a5e s THR 79 Ca 0.72 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.74 1a5e s THR 79 Cb -0.42 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 67.87 1a5e s THR 79 CO 0.88 -1.20 1.08 -0.60 -0.69 0.00 0.00 174.62 174.10 1a5e s ARG 80 N 6.62 2.79 0.00 4.92 6.06 -1.26 -3.34 118.95 134.74 1a5e s ARG 80 Ca 0.59 0.62 0.14 0.00 -2.50 0.00 0.00 55.73 54.58 1a5e s ARG 80 Cb -0.10 -2.00 0.74 0.00 0.06 0.00 0.00 34.95 33.65 1a5e s ARG 80 CO 0.15 -1.12 1.34 -0.35 -2.50 0.00 0.00 175.30 172.82 1a5e n PRO 81 N -3.09 0.27 0.12 5.12 -0.04 -1.26 -2.30 135.00 133.82 1a5e n PRO 81 Ca 0.07 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1a5e n PRO 81 Cb 0.56 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.46 -0.03 0.52 2.07 -1.86 -2.95 116.25 115.47 1a5e h VAL 82 Ca 0.00 -2.48 -0.18 0.00 0.82 0.00 0.00 66.70 64.86 1a5e h VAL 82 Cb 0.09 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1a5e h VAL 82 CO 0.00 0.70 -0.79 0.45 0.02 0.00 0.00 177.57 177.94 1a5e h HIS 83 N 0.00 0.34 0.50 1.57 3.86 -1.78 -3.00 115.15 116.65 1a5e h HIS 83 Ca -0.01 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1a5e h HIS 83 Cb 1.30 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 1a5e h HIS 83 CO 0.00 0.94 -0.50 -0.44 0.86 0.00 0.00 177.93 178.79 1a5e h ASP 84 N 0.15 -1.37 0.35 2.45 5.19 -1.63 1.22 116.42 122.79 1a5e h ASP 84 Ca -0.03 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1a5e h ASP 84 Cb 1.38 0.45 -0.02 0.00 0.18 0.00 0.00 39.33 41.32 1a5e h ASP 84 CO 0.12 -0.66 -0.44 0.00 -3.12 0.00 0.00 179.24 175.14 1a5e h ALA 85 N -0.85 -1.06 0.42 3.45 0.00 -1.60 -1.71 119.26 117.92 1a5e h ALA 85 Ca -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 85 Cb 0.87 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1a5e h ALA 85 CO -0.06 -1.10 -0.46 0.00 0.00 0.00 0.00 179.25 177.62 1a5e h ALA 86 N -0.95 -1.00 -1.10 0.00 0.00 -1.45 0.97 119.26 115.73 1a5e h ALA 86 Ca -0.04 -0.16 0.32 0.00 0.00 0.00 0.00 54.91 55.03 1a5e h ALA 86 Cb 0.72 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1a5e h ALA 86 CO -0.10 -1.11 0.92 -0.09 0.00 0.00 0.00 179.25 178.87 1a5e h ARG 87 N -0.90 0.00 -0.14 0.00 2.43 0.16 0.96 114.38 116.88 1a5e h ARG 87 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1a5e h ARG 87 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1a5e h ARG 87 CO -0.09 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 176.46 1a5e n GLU 88 N -3.86 1.98 -2.89 0.20 0.00 -0.56 -4.91 120.64 110.59 1a5e n GLU 88 Ca 0.24 -1.85 -0.12 0.00 0.00 0.00 0.00 57.16 55.43 1a5e n GLU 88 Cb 1.28 -1.40 0.06 0.00 0.00 0.00 0.00 31.44 31.37 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 1.17 -0.66 2.58 8.31 0.00 0.33 -4.99 105.19 111.94 1a5e n GLY 89 Ca 0.14 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1a5e n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5e s PHE 90 N -3.30 1.54 0.19 1.61 2.19 -0.35 -4.97 117.98 114.89 1a5e s PHE 90 Ca 0.32 -2.25 -0.12 0.00 0.33 0.00 0.00 56.93 55.22 1a5e s PHE 90 Cb -0.04 -1.45 0.16 0.00 -1.31 0.00 0.00 43.02 40.38 1a5e s PHE 90 CO 0.58 -0.79 1.82 1.25 1.83 0.00 0.00 175.22 179.91 1a5e h LEU 91 N 6.44 0.57 -0.87 6.12 7.12 -1.93 -2.35 115.31 130.41 1a5e h LEU 91 Ca 0.09 0.01 0.22 0.00 0.13 0.00 0.00 57.88 58.33 1a5e h LEU 91 Cb 0.92 -0.11 -0.15 0.00 -0.53 0.00 0.00 40.66 40.78 1a5e h LEU 91 CO 0.41 0.39 0.06 -0.78 -0.13 0.00 0.00 178.44 178.39 1a5e h ASP 92 N 0.70 -0.34 0.00 1.25 1.82 -1.98 0.35 116.42 118.22 1a5e h ASP 92 Ca 0.25 0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 57.12 1a5e h ASP 92 Cb 0.06 0.39 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1a5e h ASP 92 CO -0.12 -0.24 -0.00 0.74 -1.61 0.00 0.00 179.24 178.00 1a5e h THR 93 N 0.09 1.00 -0.53 2.25 2.02 -1.75 -1.82 112.91 114.17 1a5e h THR 93 Ca 0.51 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.72 1a5e h THR 93 Cb 0.99 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 1a5e h THR 93 CO -0.77 0.01 0.26 0.25 0.37 0.00 0.00 175.52 175.64 1a5e h LEU 94 N -0.02 0.36 -0.16 2.58 5.85 -0.38 -2.14 115.31 121.39 1a5e h LEU 94 Ca -0.00 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1a5e h LEU 94 Cb 0.02 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1a5e h LEU 94 CO 0.00 0.25 -0.09 0.58 -0.34 0.00 0.00 178.44 178.84 1a5e h VAL 95 N 0.50 0.73 -0.11 1.05 2.07 -0.36 -2.08 116.25 118.05 1a5e h VAL 95 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 1a5e h VAL 95 Cb 0.16 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1a5e h VAL 95 CO -0.18 0.00 -0.22 0.58 0.02 0.00 0.00 177.57 177.78 1a5e h VAL 96 N -0.07 0.47 0.01 2.57 2.07 -0.80 1.12 116.25 121.61 1a5e h VAL 96 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1a5e h VAL 96 Cb 0.21 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1a5e h VAL 96 CO -0.21 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.14 1a5e h LEU 97 N -0.28 -0.51 -1.74 2.57 3.38 -1.01 -0.59 115.31 117.12 1a5e h LEU 97 Ca 0.09 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1a5e h LEU 97 Cb 0.42 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1a5e h LEU 97 CO -0.28 -0.16 0.34 -0.74 0.09 0.00 0.00 178.44 177.69 1a5e h HIS 98 N -0.21 0.31 0.00 1.13 2.76 -1.25 0.19 115.15 118.08 1a5e h HIS 98 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1a5e h HIS 98 Cb 0.23 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1a5e h HIS 98 CO -0.40 0.15 0.00 -2.13 -1.30 0.00 0.00 177.93 174.25 1a5e n ARG 99 N -4.46 0.04 -2.92 5.26 0.63 0.38 -3.66 116.66 111.93 1a5e n ARG 99 Ca 0.08 0.28 -0.13 0.00 -0.92 0.00 0.00 57.85 57.16 1a5e n ARG 99 Cb 0.36 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.45 1.00 -2.38 5.13 0.00 0.67 -5.01 120.51 118.46 1a5e n ALA 100 Ca 0.03 -2.45 -0.01 0.00 0.00 0.00 0.00 53.44 51.01 1a5e n ALA 100 Cb 0.12 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 1a5e n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 101 N 0.20 -5.69 3.58 0.00 0.00 -1.13 -4.93 105.19 97.22 1a5e n GLY 101 Ca 0.14 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.60 -2.29 -0.24 4.61 0.00 -1.23 -4.74 121.76 117.27 1a5e s ALA 102 Ca -0.03 2.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.87 1a5e s ALA 102 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 1a5e s ALA 102 CO 0.08 -0.61 1.62 0.50 0.00 0.00 0.00 175.76 177.34 1a5e s ARG 103 N 1.95 3.73 -0.25 0.00 3.52 -1.26 -4.65 118.95 121.99 1a5e s ARG 103 Ca -0.07 1.59 0.12 0.00 -0.13 0.00 0.00 55.73 57.24 1a5e s ARG 103 Cb -0.06 -4.05 0.53 0.00 -1.56 0.00 0.00 34.95 29.81 1a5e s ARG 103 CO -0.17 -1.37 1.48 -0.11 -0.81 0.00 0.00 175.30 174.32 1a5e n LEU 104 N 8.66 4.20 -3.06 -0.88 0.00 -1.26 -4.68 117.00 119.98 1a5e n LEU 104 Ca 0.19 -3.40 -0.16 0.00 0.00 0.00 0.00 56.01 52.64 1a5e n LEU 104 Cb 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 43.42 43.27 1a5e n LEU 104 CO 0.65 0.96 -0.08 -0.90 0.00 0.00 0.00 177.39 178.03 1a5e n ASP 105 N -0.82 0.02 -4.21 1.96 5.68 -1.26 -3.43 116.55 114.48 1a5e n ASP 105 Ca 0.29 -3.18 -0.20 0.00 -0.50 0.00 0.00 54.79 51.21 1a5e n ASP 105 Cb 1.01 0.04 0.01 0.00 -1.14 0.00 0.00 41.12 41.04 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1a5e n VAL 106 N 0.29 0.00 -4.33 2.12 3.14 -1.26 -5.08 118.33 113.21 1a5e n VAL 106 Ca 0.20 -1.68 -0.21 0.00 -2.96 0.00 0.00 64.34 59.70 1a5e n VAL 106 Cb 0.67 -0.18 -0.16 0.00 -1.06 0.00 0.00 33.84 33.11 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 -3.79 1.03 -1.01 1.45 0.52 -1.26 -4.67 118.95 111.23 1a5e s ARG 107 Ca 0.27 -0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1a5e s ARG 107 Cb -0.02 -0.95 -0.06 0.00 0.52 0.00 0.00 34.95 34.44 1a5e s ARG 107 CO 0.17 0.02 2.21 -0.25 0.02 0.00 0.00 175.30 177.46 1a5e n ASP 108 N 3.68 5.23 0.00 0.23 9.92 -0.85 -4.61 116.55 130.15 1a5e n ASP 108 Ca -0.22 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 1a5e n ASP 108 Cb 0.52 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e n ALA 109 N 4.41 0.00 -1.54 2.24 0.00 -1.24 0.89 120.51 125.27 1a5e n ALA 109 Ca 0.49 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.00 1a5e n ALA 109 Cb 0.17 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.76 1a5e n ALA 109 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1a5e n TRP 110 N 0.00 0.00 0.00 0.00 4.27 -1.26 -4.85 117.44 115.60 1a5e n TRP 110 Ca 0.00 -1.06 0.00 0.00 -3.89 0.00 0.00 57.50 52.55 1a5e n TRP 110 Cb 0.00 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 29.77 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a5e n GLY 111 N -0.96 -0.04 0.00 -1.67 0.00 0.26 -5.14 105.19 97.64 1a5e n GLY 111 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.65 0.00 -3.36 1.61 1.74 -1.26 -4.97 116.66 108.78 1a5e n ARG 112 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1a5e n ARG 112 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5e s LEU 113 N 0.00 3.43 0.48 0.55 2.01 -1.26 -2.00 118.68 121.88 1a5e s LEU 113 Ca 0.00 -0.67 0.27 0.00 0.01 0.00 0.00 54.13 53.74 1a5e s LEU 113 Cb 0.00 -2.18 1.09 0.00 0.01 0.00 0.00 46.19 45.10 1a5e s LEU 113 CO 0.00 -0.76 1.89 1.55 1.01 0.00 0.00 176.35 180.04 1a5e h PRO 114 N 0.83 0.00 0.22 1.29 0.13 -1.92 -3.12 132.00 129.43 1a5e h PRO 114 Ca -0.40 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.39 1a5e h PRO 114 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1a5e h PRO 114 CO 0.52 0.15 -1.62 -0.24 -0.23 0.00 0.00 178.00 176.58 1a5e h VAL 115 N 0.00 1.11 -0.98 1.56 3.04 -1.92 -3.32 116.25 115.74 1a5e h VAL 115 Ca -0.00 -2.62 0.17 0.00 -1.01 0.00 0.00 66.70 63.24 1a5e h VAL 115 Cb 0.65 2.90 -0.09 0.00 -2.01 0.00 0.00 31.29 32.74 1a5e h VAL 115 CO 0.02 0.84 0.61 0.44 -1.01 0.00 0.00 177.57 178.47 1a5e h ASP 116 N 0.12 0.74 0.84 3.17 3.32 -1.94 -1.70 116.42 120.97 1a5e h ASP 116 Ca -0.30 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 1a5e h ASP 116 Cb 2.13 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 41.62 1a5e h ASP 116 CO 0.22 0.32 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.57 1a5e h LEU 117 N 0.75 -0.99 -1.02 1.55 3.38 -1.65 -2.68 115.31 114.64 1a5e h LEU 117 Ca 0.53 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.73 1a5e h LEU 117 Cb 0.83 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1a5e h LEU 117 CO -0.30 -0.70 0.61 0.00 0.09 0.00 0.00 178.44 178.15 1a5e h ALA 118 N -0.98 1.70 -0.52 1.53 0.00 -1.48 0.00 119.26 119.52 1a5e h ALA 118 Ca -0.11 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1a5e h ALA 118 Cb 0.88 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1a5e h ALA 118 CO 0.18 -0.09 0.19 0.93 0.00 0.00 0.00 179.25 180.46 1a5e h GLU 119 N 0.74 0.36 0.00 0.00 5.08 -1.01 0.18 114.58 119.92 1a5e h GLU 119 Ca 0.58 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.85 1a5e h GLU 119 Cb 0.95 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1a5e h GLU 119 CO -0.39 0.24 -0.36 1.49 -1.00 0.00 0.00 179.01 178.99 1a5e h GLU 120 N 0.37 0.00 0.00 2.33 4.81 -0.81 -3.39 114.58 117.89 1a5e h GLU 120 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1a5e h GLU 120 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1a5e h GLU 120 CO -0.25 0.36 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 1a5e n LEU 121 N -3.35 1.52 0.00 1.64 4.77 -0.22 -5.05 117.00 116.31 1a5e n LEU 121 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1a5e n LEU 121 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1a5e n LEU 121 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1a5e n GLY 122 N 2.59 0.00 2.77 -0.72 0.00 0.49 -5.05 105.19 105.27 1a5e n GLY 122 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1a5e n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5e n HIS 123 N 0.00 3.12 -0.33 1.61 8.25 -1.19 -4.81 115.22 121.88 1a5e n HIS 123 Ca 0.00 -2.66 0.26 0.00 -0.26 0.00 0.00 57.72 55.05 1a5e n HIS 123 Cb 0.00 -0.89 0.50 0.00 1.12 0.00 0.00 29.99 30.72 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 3.11 0.15 -0.90 -0.41 0.11 -1.97 1.74 114.38 116.21 1a5e h ARG 124 Ca 0.47 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.55 1a5e h ARG 124 Cb 0.31 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.31 1a5e h ARG 124 CO 1.22 0.10 0.59 -0.44 0.10 0.00 0.00 179.97 181.53 1a5e h ASP 125 N 0.15 1.04 0.16 0.08 5.19 -1.99 -0.96 116.42 120.09 1a5e h ASP 125 Ca 0.76 -0.03 -0.31 0.00 -0.62 0.00 0.00 57.03 56.83 1a5e h ASP 125 Cb 1.84 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 41.10 1a5e h ASP 125 CO -0.71 0.76 -1.53 0.58 -3.12 0.00 0.00 179.24 175.22 1a5e h VAL 126 N 1.22 1.03 -0.67 -1.35 2.07 0.10 -1.94 116.25 116.71 1a5e h VAL 126 Ca 0.33 -2.48 0.13 0.00 0.82 0.00 0.00 66.70 65.50 1a5e h VAL 126 Cb -0.13 2.79 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 1a5e h VAL 126 CO -0.07 0.78 0.21 0.00 0.02 0.00 0.00 177.57 178.51 1a5e h ALA 127 N 0.04 0.88 0.14 1.67 0.00 0.22 0.81 119.26 123.02 1a5e h ALA 127 Ca -0.31 0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1a5e h ALA 127 Cb 1.93 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.87 1a5e h ALA 127 CO 0.13 -0.26 -1.14 0.00 0.00 0.00 0.00 179.25 177.98 1a5e h ARG 128 N 0.35 0.30 0.62 0.00 3.08 -1.31 -2.76 114.38 114.67 1a5e h ARG 128 Ca 0.36 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1a5e h ARG 128 Cb 0.54 0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.79 1a5e h ARG 128 CO -0.40 1.25 -0.30 -0.92 -1.07 0.00 0.00 179.97 178.53 1a5e h TYR 129 N -0.29 -0.77 -0.43 3.04 5.03 -1.00 -2.41 116.97 120.13 1a5e h TYR 129 Ca -0.22 -0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.17 1a5e h TYR 129 Cb 1.75 0.26 -0.02 0.00 1.55 0.00 0.00 36.73 40.27 1a5e h TYR 129 CO 0.16 -0.48 0.30 1.37 -1.32 0.00 0.00 178.16 178.19 1a5e h LEU 130 N -1.05 0.11 -1.45 2.82 8.10 0.44 0.11 115.31 124.39 1a5e h LEU 130 Ca -0.09 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.85 1a5e h LEU 130 Cb 0.64 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1a5e h LEU 130 CO 0.14 0.06 -0.28 -0.09 -4.11 0.00 0.00 178.44 174.16 1a5e h ARG 131 N 0.12 0.00 -0.18 0.17 2.43 -1.35 0.52 114.38 116.08 1a5e h ARG 131 Ca 0.20 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.16 1a5e h ARG 131 Cb 0.66 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1a5e h ARG 131 CO -0.02 0.28 -0.73 0.00 -1.51 0.00 0.00 179.97 177.99 1a5e h ALA 132 N 1.72 0.35 0.00 2.80 0.00 -0.27 0.40 119.26 124.27 1a5e h ALA 132 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1a5e h ALA 132 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a5e h ALA 132 CO 0.04 0.68 -0.72 0.00 0.00 0.00 0.00 179.25 179.25 1a5e n ALA 133 N -2.60 3.31 -0.08 0.00 0.00 -1.06 -4.34 120.51 115.75 1a5e n ALA 133 Ca -0.07 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1a5e n ALA 133 Cb 0.72 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.71 1.65 0.00 0.00 0.00 0.18 -4.47 120.51 116.16 1a5e n ALA 134 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1a5e n ALA 134 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 2.45 -1.43 2.13 0.00 0.00 0.81 -4.63 105.19 104.51 1a5e n GLY 135 Ca -0.26 0.94 -0.28 0.00 0.00 0.00 0.00 46.02 46.43 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 6.23 3.69 -0.02 0.00 0.10 -4.62 105.19 110.59 1a5e n GLY 136 Ca 0.00 -2.56 -0.39 0.00 0.00 0.00 0.00 46.02 43.07 1a5e n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5e s THR 137 N -4.69 5.14 -0.14 2.61 -4.23 -1.26 -4.98 115.64 108.09 1a5e s THR 137 Ca 0.55 0.98 -0.21 0.00 -1.18 0.00 0.00 61.69 61.84 1a5e s THR 137 Cb 0.44 -3.84 -0.18 0.00 1.34 0.00 0.00 72.50 70.25 1a5e s THR 137 CO 0.02 0.25 0.48 0.03 -0.54 0.00 0.00 174.62 174.86 1a5e h ARG 138 N 7.07 0.00 -6.56 3.99 3.08 -1.96 -3.45 114.38 116.55 1a5e h ARG 138 Ca -0.37 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.09 1a5e h ARG 138 Cb 1.17 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.29 1a5e h ARG 138 CO 0.75 0.74 0.66 0.41 -1.07 0.00 0.00 179.97 181.46 1a5e n GLY 139 N 1.62 0.86 0.31 0.04 0.00 -1.26 -4.82 105.19 101.94 1a5e n GLY 139 Ca -0.11 0.54 0.17 0.00 0.00 0.00 0.00 46.02 46.62 1a5e n GLY 139 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5e h SER 140 N 4.66 0.00 -2.03 1.61 4.64 -2.05 -3.40 113.55 116.98 1a5e h SER 140 Ca -0.45 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 1a5e h SER 140 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1a5e h SER 140 CO 0.79 0.00 1.47 0.20 -0.87 0.00 0.00 176.83 178.42 1a5e s ASN 141 N -5.91 5.22 0.00 4.97 -0.87 -1.26 -4.95 114.94 112.14 1a5e s ASN 141 Ca -0.05 1.31 0.00 0.00 -1.57 0.00 0.00 52.86 52.55 1a5e s ASN 141 Cb 0.15 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1a5e s ASN 141 CO 0.51 -2.24 0.00 0.00 -2.57 0.00 0.00 177.10 172.80 1a5e n HIS 142 N 12.80 0.00 -3.41 2.20 1.44 -1.26 -4.60 115.22 122.39 1a5e n HIS 142 Ca 0.29 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.75 1a5e n HIS 142 Cb 0.49 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.64 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a5e n ALA 143 N -3.00 -1.14 -2.24 1.59 0.00 -1.26 -4.87 120.51 109.59 1a5e n ALA 143 Ca 0.00 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1a5e n ALA 143 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 19.45 15.11 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 -6.11 3.38 0.08 0.00 6.06 -1.26 -4.98 118.95 116.12 1a5e s ARG 144 Ca 0.47 0.95 -0.26 0.00 -2.50 0.00 0.00 55.73 54.39 1a5e s ARG 144 Cb -0.22 -4.12 -0.06 0.00 0.06 0.00 0.00 34.95 30.61 1a5e s ARG 144 CO 0.58 -1.81 0.80 0.42 -2.50 0.00 0.00 175.30 172.79 1a5e s ILE 145 N 6.25 4.61 -0.81 4.11 1.01 -1.26 -4.23 121.20 130.88 1a5e s ILE 145 Ca 0.65 1.73 -0.02 0.00 0.00 0.00 0.00 60.65 63.01 1a5e s ILE 145 Cb -0.15 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1a5e s ILE 145 CO 0.31 0.39 0.72 -0.67 0.00 0.00 0.00 174.94 175.69 1a5e n ASP 146 N 2.54 -7.24 -4.64 3.58 -0.08 -1.26 -4.86 116.55 104.58 1a5e n ASP 146 Ca -0.02 -0.29 -0.43 0.00 -1.51 0.00 0.00 54.79 52.54 1a5e n ASP 146 Cb 0.50 -4.84 -0.03 0.00 2.34 0.00 0.00 41.12 39.09 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a5e s ALA 147 N -3.07 3.42 0.50 -1.67 0.00 -1.26 -4.64 121.76 115.04 1a5e s ALA 147 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1a5e s ALA 147 Cb -0.02 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1a5e s ALA 147 CO 0.77 -1.70 0.00 0.00 0.00 0.00 0.00 175.76 174.83 1a5e n ALA 148 N 7.86 -1.99 -1.27 0.00 0.00 -1.26 -4.82 120.51 119.03 1a5e n ALA 148 Ca 0.18 0.47 -0.36 0.00 0.00 0.00 0.00 53.44 53.73 1a5e n ALA 148 Cb 0.44 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.53 0.31 0.00 0.00 0.00 -1.26 -4.95 120.64 114.20 1a5e n GLU 149 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1a5e n GLU 149 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 29.62 1a5e n GLU 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a5e n GLY 150 N 1.66 2.34 3.77 8.31 0.00 -1.26 -5.15 105.19 114.86 1a5e n GLY 150 Ca 0.10 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.55 2.52 1.38 1.61 0.04 -1.26 -5.01 135.00 137.82 1a5e s PRO 151 Ca 0.00 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1a5e s PRO 151 Cb 0.00 -1.92 0.34 0.00 0.04 0.00 0.00 34.50 32.96 1a5e s PRO 151 CO 0.00 -1.46 0.85 -1.13 0.04 0.00 0.00 177.00 175.30 1a5e n SER 152 N -2.96 -3.51 -4.51 6.66 3.41 -1.26 -4.90 113.62 106.56 1a5e n SER 152 Ca 0.10 -0.66 -0.43 0.00 -0.26 0.00 0.00 58.87 57.62 1a5e n SER 152 Cb 0.52 -1.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 1a5e n SER 152 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1a5e s ASP 153 N -2.80 6.32 -0.56 4.04 -4.77 -1.26 -4.95 116.67 112.69 1a5e s ASP 153 Ca 0.65 -0.46 0.05 0.00 -3.30 0.00 0.00 52.55 49.49 1a5e s ASP 153 Cb -0.15 -2.41 0.18 0.00 -1.09 0.00 0.00 42.92 39.45 1a5e s ASP 153 CO 0.58 -1.16 0.45 -0.38 0.70 0.00 0.00 175.17 175.35 1a5e n ILE 154 N 6.09 0.30 -2.58 2.11 5.41 -1.26 -5.09 119.36 124.33 1a5e n ILE 154 Ca 0.00 -4.21 -0.41 0.00 1.00 0.00 0.00 62.75 59.13 1a5e n ILE 154 Cb 0.47 -1.93 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 1a5e n ILE 154 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1a5e s PRO 155 N -0.85 4.61 0.00 0.38 0.04 -1.26 -5.27 135.00 132.64 1a5e s PRO 155 Ca 0.30 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1a5e s PRO 155 Cb 0.02 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1a5e s PRO 155 CO -0.17 0.08 0.52 -0.40 0.04 0.00 0.00 177.00 177.07