#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 -0.25 -7.13 2.12 4.22 -2.13 -3.42 114.58 108.00 1a5e h GLU 2 Ca 0.00 0.02 -0.48 0.00 0.08 0.00 0.00 59.36 58.98 1a5e h GLU 2 Cb 0.00 0.06 0.04 0.00 0.50 0.00 0.00 28.75 29.35 1a5e h GLU 2 CO 0.00 -0.17 0.38 -1.25 -2.18 0.00 0.00 179.01 175.80 1a5e s PRO 3 N -6.11 3.61 0.41 0.92 0.04 -1.26 -4.98 135.00 127.64 1a5e s PRO 3 Ca -0.15 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.92 1a5e s PRO 3 Cb 0.11 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1a5e s PRO 3 CO 0.67 -0.58 1.39 0.00 0.04 0.00 0.00 177.00 178.53 1a5e n ALA 4 N -1.41 1.87 -3.65 8.56 0.00 -1.26 -4.99 120.51 119.63 1a5e n ALA 4 Ca 0.09 0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.83 1a5e n ALA 4 Cb 0.53 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.16 -2.53 0.00 0.00 0.00 -1.26 -5.05 121.76 111.76 1a5e s ALA 5 Ca 0.58 1.98 0.00 0.00 0.00 0.00 0.00 51.96 54.52 1a5e s ALA 5 Cb -0.48 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1a5e s ALA 5 CO 0.60 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1a5e n GLY 6 N 2.98 2.18 7.00 0.00 0.00 -1.26 -5.10 105.19 111.00 1a5e n GLY 6 Ca -0.16 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a5e n SER 7 N 0.00 -0.80 -3.66 1.61 2.88 -1.26 -4.86 113.62 107.53 1a5e n SER 7 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1a5e n SER 7 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1a5e n SER 7 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1a5e s SER 8 N -4.00 -0.55 0.24 -3.46 0.15 -1.26 -5.05 113.70 99.76 1a5e s SER 8 Ca 0.00 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1a5e s SER 8 Cb 0.00 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1a5e s SER 8 CO 0.00 -0.31 0.00 0.80 1.20 0.00 0.00 173.24 174.93 1a5e n MET 9 N 2.23 0.00 -3.06 5.44 0.00 -1.26 -5.10 117.12 115.37 1a5e n MET 9 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.38 1a5e n MET 9 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.80 1a5e n MET 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1a5e n GLU 10 N -2.98 -2.24 -1.40 2.12 4.07 -1.26 -4.72 120.64 114.23 1a5e n GLU 10 Ca 0.00 1.90 -0.41 0.00 -0.06 0.00 0.00 57.16 58.59 1a5e n GLU 10 Cb 0.00 -4.23 -0.05 0.00 -0.06 0.00 0.00 31.44 27.10 1a5e n GLU 10 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1a5e n PRO 11 N -0.06 1.72 -1.16 5.31 -0.04 -1.26 -4.09 135.00 135.41 1a5e n PRO 11 Ca 0.04 -2.07 -0.06 0.00 -0.04 0.00 0.00 63.50 61.37 1a5e n PRO 11 Cb 0.49 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 1a5e n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a5e n SER 12 N 8.43 -5.57 -3.24 3.54 7.64 -1.26 -2.25 113.62 120.91 1a5e n SER 12 Ca 0.49 0.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.28 1a5e n SER 12 Cb 0.41 -3.56 0.05 0.00 -1.01 0.00 0.00 64.21 60.10 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e n ALA 13 N 1.10 -1.09 0.41 -0.43 0.00 -1.26 -4.83 120.51 114.41 1a5e n ALA 13 Ca -0.06 0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.73 1a5e n ALA 13 Cb 0.50 -4.42 0.13 0.00 0.00 0.00 0.00 19.45 15.66 1a5e n ALA 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a5e n ASP 14 N -2.69 2.50 0.19 0.00 2.03 -0.95 -4.01 116.55 113.62 1a5e n ASP 14 Ca -0.07 -2.29 0.07 0.00 0.52 0.00 0.00 54.79 53.02 1a5e n ASP 14 Cb 0.60 -0.56 0.30 0.00 -0.72 0.00 0.00 41.12 40.74 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1a5e h TRP 15 N 1.27 0.00 -0.29 -0.67 6.55 -1.88 -2.75 115.95 118.17 1a5e h TRP 15 Ca 0.00 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 1a5e h TRP 15 Cb 0.97 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.25 1a5e h TRP 15 CO 0.35 0.32 -0.25 1.37 -1.05 0.00 0.00 178.44 179.18 1a5e h LEU 16 N 0.00 0.58 0.01 -4.49 8.10 -1.94 -1.36 115.31 116.20 1a5e h LEU 16 Ca -0.00 -0.20 -0.00 0.00 0.11 0.00 0.00 57.88 57.78 1a5e h LEU 16 Cb 0.97 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 1a5e h LEU 16 CO 0.04 0.82 -0.00 0.00 -4.11 0.00 0.00 178.44 175.19 1a5e h ALA 17 N 1.23 -0.01 -0.34 0.17 0.00 -1.80 -2.71 119.26 115.79 1a5e h ALA 17 Ca 0.07 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1a5e h ALA 17 Cb 0.70 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1a5e h ALA 17 CO 0.05 -0.06 -0.17 1.79 0.00 0.00 0.00 179.25 180.86 1a5e h THR 18 N -0.90 0.48 -0.83 0.00 1.35 -1.50 0.18 112.91 111.70 1a5e h THR 18 Ca -0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 1a5e h THR 18 Cb 0.85 0.48 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 1a5e h THR 18 CO 0.00 0.00 0.54 0.00 -0.25 0.00 0.00 175.52 175.82 1a5e h ALA 19 N 1.12 1.50 0.82 6.62 0.00 -1.35 -2.80 119.26 125.18 1a5e h ALA 19 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a5e h ALA 19 Cb 0.39 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a5e h ALA 19 CO -0.42 0.41 -0.39 0.00 0.00 0.00 0.00 179.25 178.85 1a5e h ALA 20 N 1.52 -1.19 -1.23 0.00 0.00 -0.67 -1.27 119.26 116.42 1a5e h ALA 20 Ca 0.33 -0.24 0.36 0.00 0.00 0.00 0.00 54.91 55.36 1a5e h ALA 20 Cb 0.06 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1a5e h ALA 20 CO -0.10 -1.11 0.95 0.00 0.00 0.00 0.00 179.25 178.99 1a5e h ALA 21 N -1.40 3.14 -0.59 0.00 0.00 0.13 0.37 119.26 120.90 1a5e h ALA 21 Ca -0.11 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 1a5e h ALA 21 Cb 0.84 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.54 1a5e h ALA 21 CO 0.18 -1.58 0.42 0.54 0.00 0.00 0.00 179.25 178.82 1a5e n ARG 22 N -4.00 1.81 -3.66 0.00 1.74 -1.03 -3.72 116.66 107.80 1a5e n ARG 22 Ca 0.27 -1.83 -0.26 0.00 -0.77 0.00 0.00 57.85 55.26 1a5e n ARG 22 Cb 1.35 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 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 -0.35 -0.45 3.18 -0.13 0.00 0.13 -4.86 105.19 102.70 1a5e n GLY 23 Ca 0.36 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1a5e n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 24 N -6.30 2.65 -0.06 1.61 3.00 -0.51 -4.94 118.95 114.40 1a5e s ARG 24 Ca 0.49 -2.18 -0.11 0.00 0.00 0.00 0.00 55.73 53.93 1a5e s ARG 24 Cb -0.28 -3.90 -0.06 0.00 0.00 0.00 0.00 34.95 30.71 1a5e s ARG 24 CO 0.61 -1.19 0.45 0.28 0.00 0.00 0.00 175.30 175.45 1a5e h VAL 25 N 5.61 0.04 -1.63 3.52 2.07 -1.89 -3.27 116.25 120.69 1a5e h VAL 25 Ca -0.07 -0.75 0.48 0.00 0.82 0.00 0.00 66.70 67.18 1a5e h VAL 25 Cb 1.02 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1a5e h VAL 25 CO 0.77 0.01 1.16 -0.33 0.02 0.00 0.00 177.57 179.21 1a5e h GLU 26 N -1.09 0.02 0.15 1.57 5.08 -1.97 0.11 114.58 118.45 1a5e h GLU 26 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1a5e h GLU 26 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a5e h GLU 26 CO 0.06 0.01 -0.07 0.93 -1.00 0.00 0.00 179.01 178.94 1a5e h GLU 27 N 0.02 -0.19 -0.41 2.33 5.08 -1.94 -3.05 114.58 116.40 1a5e h GLU 27 Ca 0.80 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 59.05 1a5e h GLU 27 Cb 3.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 32.40 1a5e h GLU 27 CO -0.06 0.17 -0.22 0.28 -1.00 0.00 0.00 179.01 178.19 1a5e h VAL 28 N -0.60 1.28 -0.58 3.13 2.07 -0.90 -2.33 116.25 118.32 1a5e h VAL 28 Ca -0.02 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.25 1a5e h VAL 28 Cb 0.46 1.27 -0.11 0.00 -1.52 0.00 0.00 31.29 31.38 1a5e h VAL 28 CO 0.03 0.46 -0.17 0.03 0.02 0.00 0.00 177.57 177.95 1a5e h ARG 29 N 0.70 -0.02 -0.05 1.57 -0.00 -1.25 0.92 114.38 116.25 1a5e h ARG 29 Ca 0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.56 1a5e h ARG 29 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.76 1a5e h ARG 29 CO 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 179.97 180.01 1a5e h ALA 30 N 1.52 0.07 0.87 0.04 0.00 -1.49 -2.49 119.26 117.78 1a5e h ALA 30 Ca 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1a5e h ALA 30 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a5e h ALA 30 CO -0.61 -0.24 -0.48 -0.07 0.00 0.00 0.00 179.25 177.85 1a5e h LEU 31 N -0.22 -1.19 -0.80 0.00 3.38 -0.66 0.22 115.31 116.04 1a5e h LEU 31 Ca 0.01 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1a5e h LEU 31 Cb 0.37 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.30 1a5e h LEU 31 CO 0.00 -0.77 -0.14 -0.07 0.09 0.00 0.00 178.44 177.55 1a5e h LEU 32 N -1.25 -0.63 -0.51 1.67 3.38 0.75 1.84 115.31 120.56 1a5e h LEU 32 Ca -0.12 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a5e h LEU 32 Cb 0.99 0.46 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1a5e h LEU 32 CO 0.15 -0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.82 1a5e n GLU 33 N -5.48 0.19 0.00 1.13 1.02 -0.94 -2.47 120.64 114.10 1a5e n GLU 33 Ca 0.13 0.36 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 1a5e n GLU 33 Cb 0.44 -1.83 0.24 0.00 -0.02 0.00 0.00 31.44 30.28 1a5e n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a5e n ALA 34 N -1.75 3.07 0.00 0.62 0.00 0.61 -4.90 120.51 118.15 1a5e n ALA 34 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1a5e n ALA 34 Cb 0.27 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1a5e n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 35 N 1.34 1.69 3.75 0.00 0.00 -0.23 -5.03 105.19 106.72 1a5e n GLY 35 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 3.34 -0.15 4.61 0.00 -0.85 -4.95 121.76 121.76 1a5e s ALA 36 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1a5e s ALA 36 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 1a5e s ALA 36 CO 0.00 0.17 1.03 -1.17 0.00 0.00 0.00 175.76 175.79 1a5e s LEU 37 N -1.25 4.19 0.51 0.00 2.96 -1.26 -4.81 118.68 119.03 1a5e s LEU 37 Ca 0.42 1.49 0.30 0.00 -0.22 0.00 0.00 54.13 56.12 1a5e s LEU 37 Cb -0.26 -3.55 1.21 0.00 0.50 0.00 0.00 46.19 44.08 1a5e s LEU 37 CO 0.33 -0.54 1.93 1.55 -1.32 0.00 0.00 176.35 178.30 1a5e h PRO 38 N 7.26 0.00 -1.59 0.98 0.13 -1.86 -3.22 132.00 133.70 1a5e h PRO 38 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 1a5e h PRO 38 Cb 1.12 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.83 1a5e h PRO 38 CO 0.90 0.07 -0.85 0.09 -0.23 0.00 0.00 178.00 177.99 1a5e n ASN 39 N -3.20 3.68 -4.88 1.44 5.03 -1.25 -3.71 115.26 112.37 1a5e n ASN 39 Ca 0.00 -3.45 -0.30 0.00 0.87 0.00 0.00 54.58 51.71 1a5e n ASN 39 Cb 0.35 -0.51 -0.03 0.00 -1.02 0.00 0.00 39.78 38.57 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 -3.35 3.35 0.06 5.41 0.00 -1.22 -5.04 121.76 120.97 1a5e s ALA 40 Ca 0.43 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1a5e s ALA 40 Cb 0.39 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1a5e s ALA 40 CO -0.12 -0.02 1.01 -1.25 0.00 0.00 0.00 175.76 175.37 1a5e s PRO 41 N -3.88 4.60 0.12 0.00 0.04 -1.26 -4.74 135.00 129.87 1a5e s PRO 41 Ca 0.51 1.49 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1a5e s PRO 41 Cb -0.10 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.05 1a5e s PRO 41 CO 0.32 0.03 0.16 -1.71 0.04 0.00 0.00 177.00 175.84 1a5e n ASN 42 N 3.40 0.36 -0.35 6.66 5.15 -1.26 -4.90 115.26 124.32 1a5e n ASN 42 Ca 0.05 -1.27 0.04 0.00 -0.60 0.00 0.00 54.58 52.80 1a5e n ASN 42 Cb 0.49 -0.09 0.05 0.00 -0.53 0.00 0.00 39.78 39.71 1a5e n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1a5e n SER 43 N -2.90 1.93 -0.23 1.20 7.64 -1.26 -4.50 113.62 115.50 1a5e n SER 43 Ca 0.03 -1.51 0.10 0.00 1.01 0.00 0.00 58.87 58.49 1a5e n SER 43 Cb 0.11 -0.05 0.16 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.19 -1.74 1.43 4.01 -1.26 -4.94 117.16 115.22 1a5e n TYR 44 Ca 0.06 -0.98 -0.17 0.00 -0.16 0.00 0.00 57.90 56.65 1a5e n TYR 44 Cb 0.25 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.26 1.03 0.00 2.72 0.00 -1.26 -4.93 105.19 101.49 1a5e n GLY 45 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1a5e n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 46 N -2.32 1.55 -3.75 1.61 3.00 -1.26 -4.69 116.66 110.79 1a5e n ARG 46 Ca -0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.45 1a5e n ARG 46 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.00 1a5e n ARG 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1a5e s ARG 47 N -1.85 2.71 0.18 5.56 1.81 -1.26 -4.55 118.95 121.54 1a5e s ARG 47 Ca 0.00 -1.32 0.15 0.00 -1.72 0.00 0.00 55.73 52.83 1a5e s ARG 47 Cb 0.00 -2.48 0.73 0.00 -0.45 0.00 0.00 34.95 32.75 1a5e s ARG 47 CO 0.00 0.04 1.45 -0.35 -0.68 0.00 0.00 175.30 175.76 1a5e n PRO 48 N -1.42 0.09 -0.05 3.54 -0.04 -1.26 -2.45 135.00 133.42 1a5e n PRO 48 Ca -0.01 0.52 -0.07 0.00 -0.04 0.00 0.00 63.50 63.90 1a5e n PRO 48 Cb 0.60 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1a5e n PRO 48 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a5e n ILE 49 N -1.94 0.65 0.20 0.52 5.41 -1.26 -4.47 119.36 118.47 1a5e n ILE 49 Ca 0.00 -0.31 0.13 0.00 1.00 0.00 0.00 62.75 63.57 1a5e n ILE 49 Cb 0.07 -0.85 0.70 0.00 -0.71 0.00 0.00 39.64 38.85 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 -0.69 0.38 4.15 -1.82 -0.84 115.11 116.29 1a5e h GLN 50 Ca -0.26 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.66 1a5e h GLN 50 Cb 1.47 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.79 1a5e h GLN 50 CO -0.02 0.00 -0.63 1.55 -1.93 0.00 0.00 178.83 177.80 1a5e n VAL 51 N -2.41 2.59 -1.25 2.39 3.14 -1.11 -4.72 118.33 116.97 1a5e n VAL 51 Ca -0.02 -3.98 -0.22 0.00 -2.96 0.00 0.00 64.34 57.16 1a5e n VAL 51 Cb 0.07 -1.04 0.18 0.00 -1.06 0.00 0.00 33.84 32.00 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 -0.78 2.23 -0.10 1.45 0.00 -0.32 0.48 117.12 120.08 1a5e n MET 52 Ca 0.43 -3.02 0.00 0.00 0.00 0.00 0.00 57.70 55.11 1a5e n MET 52 Cb 0.92 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.99 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 -1.14 0.00 -1.71 3.17 1.56 -1.24 -3.99 117.12 113.77 1a5e n MET 53 Ca 0.58 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.96 1a5e n MET 53 Cb 1.63 -2.33 -0.01 0.00 2.15 0.00 0.00 33.22 34.66 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 -1.77 -0.23 2.12 2.81 -1.26 -4.64 117.12 112.15 1a5e n MET 54 Ca 0.00 0.29 0.04 0.00 -1.81 0.00 0.00 57.70 56.22 1a5e n MET 54 Cb 0.00 -4.58 0.06 0.00 -0.71 0.00 0.00 33.22 27.99 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 -0.32 2.15 2.45 3.03 0.00 -1.26 -4.61 105.19 106.63 1a5e n GLY 55 Ca -0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1a5e n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a5e n SER 56 N -0.62 -0.97 -0.56 1.61 2.88 -1.26 -4.96 113.62 109.73 1a5e n SER 56 Ca 0.06 -3.18 0.44 0.00 -1.33 0.00 0.00 58.87 54.86 1a5e n SER 56 Cb 0.61 0.57 0.70 0.00 -0.75 0.00 0.00 64.21 65.35 1a5e n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e n ALA 57 N 0.87 1.53 -0.33 -1.46 0.00 -1.26 0.18 120.51 120.05 1a5e n ALA 57 Ca 0.16 0.70 0.13 0.00 0.00 0.00 0.00 53.44 54.43 1a5e n ALA 57 Cb 0.63 -1.02 0.32 0.00 0.00 0.00 0.00 19.45 19.38 1a5e n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e h ARG 58 N 0.00 0.57 0.73 0.00 2.47 -1.93 -1.85 114.38 114.37 1a5e h ARG 58 Ca 0.85 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 59.49 1a5e h ARG 58 Cb 3.10 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 31.30 1a5e h ARG 58 CO -0.20 0.38 -0.35 0.28 0.56 0.00 0.00 179.97 180.64 1a5e h VAL 59 N 0.59 0.00 -0.78 2.04 2.07 0.16 -2.91 116.25 117.43 1a5e h VAL 59 Ca 0.57 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 68.14 1a5e h VAL 59 Cb 1.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.63 1a5e h VAL 59 CO -0.44 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 176.88 1a5e n ALA 60 N -2.56 -0.01 -0.03 1.67 0.00 -0.74 0.82 120.51 119.67 1a5e n ALA 60 Ca -0.12 0.80 -0.10 0.00 0.00 0.00 0.00 53.44 54.02 1a5e n ALA 60 Cb 0.39 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1a5e n ALA 60 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1a5e h GLU 61 N 0.00 -0.37 -0.27 0.00 4.81 -1.36 1.76 114.58 119.15 1a5e h GLU 61 Ca 0.30 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1a5e h GLU 61 Cb 0.50 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1a5e h GLU 61 CO -0.78 -0.25 -0.24 1.25 -0.73 0.00 0.00 179.01 178.26 1a5e h LEU 62 N -0.38 -0.84 -0.01 1.64 6.46 0.62 -0.35 115.31 122.45 1a5e h LEU 62 Ca 0.11 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1a5e h LEU 62 Cb 0.56 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1a5e h LEU 62 CO -0.41 -0.14 -0.00 -0.07 -0.62 0.00 0.00 178.44 177.20 1a5e h LEU 63 N -0.10 0.01 0.00 2.25 3.38 -1.20 -2.70 115.31 116.95 1a5e h LEU 63 Ca 0.05 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1a5e h LEU 63 Cb 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1a5e h LEU 63 CO -0.31 0.35 0.00 -0.11 0.09 0.00 0.00 178.44 178.46 1a5e n LEU 64 N -4.92 0.00 0.17 1.67 0.00 0.60 0.19 117.00 114.71 1a5e n LEU 64 Ca -0.08 0.88 0.18 0.00 0.00 0.00 0.00 56.01 57.00 1a5e n LEU 64 Cb 0.18 -0.38 0.75 0.00 0.00 0.00 0.00 43.42 43.97 1a5e n LEU 64 CO 0.33 -0.38 1.16 0.17 0.00 0.00 0.00 177.39 178.67 1a5e h LEU 65 N 0.00 0.00 -0.05 -1.96 8.10 -1.18 0.67 115.31 120.89 1a5e h LEU 65 Ca 0.00 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.77 1a5e h LEU 65 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1a5e h LEU 65 CO 0.00 0.00 -1.02 0.45 -4.11 0.00 0.00 178.44 173.76 1a5e h HIS 66 N 0.00 0.16 0.00 0.17 3.86 0.13 -3.47 115.15 115.99 1a5e h HIS 66 Ca 0.13 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1a5e h HIS 66 Cb 1.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1a5e h HIS 66 CO 0.00 1.04 0.00 0.41 0.86 0.00 0.00 177.93 180.24 1a5e n GLY 67 N 1.27 0.76 0.00 2.45 0.00 0.51 -4.77 105.19 105.40 1a5e n GLY 67 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1a5e n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 68 N 0.00 0.00 -2.88 4.61 0.00 -0.57 -3.93 120.51 117.74 1a5e n ALA 68 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1a5e n ALA 68 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1a5e n ALA 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a5e n GLU 69 N 0.00 3.38 0.26 0.00 2.13 -1.26 -4.80 120.64 120.34 1a5e n GLU 69 Ca 0.00 -4.82 0.14 0.00 0.66 0.00 0.00 57.16 53.14 1a5e n GLU 69 Cb 0.00 -2.25 0.61 0.00 0.27 0.00 0.00 31.44 30.07 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1a5e h PRO 70 N 3.01 0.00 0.00 5.31 0.13 -1.91 -3.32 132.00 135.22 1a5e h PRO 70 Ca 0.17 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.98 1a5e h PRO 70 Cb 0.52 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 1a5e h PRO 70 CO 0.84 0.10 -2.03 -1.71 -0.23 0.00 0.00 178.00 174.97 1a5e n ASN 71 N -3.27 1.76 -4.74 1.44 2.85 -1.26 -4.44 115.26 107.60 1a5e n ASN 71 Ca 0.00 0.30 -0.42 0.00 -0.11 0.00 0.00 54.58 54.36 1a5e n ASN 71 Cb 0.34 -0.72 -0.02 0.00 1.24 0.00 0.00 39.78 40.62 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 2.83 0.37 -2.16 0.00 0.00 -1.26 -4.60 120.51 115.69 1a5e n ALA 73 Ca 0.11 -1.68 -0.39 0.00 0.00 0.00 0.00 53.44 51.48 1a5e n ALA 73 Cb 0.37 0.99 -0.06 0.00 0.00 0.00 0.00 19.45 20.75 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 -3.04 7.27 0.32 0.00 2.15 -1.13 -4.81 116.67 117.41 1a5e s ASP 74 Ca 0.06 1.50 0.13 0.00 0.43 0.00 0.00 52.55 54.67 1a5e s ASP 74 Cb 0.00 -2.46 0.52 0.00 -0.30 0.00 0.00 42.92 40.68 1a5e s ASP 74 CO 0.04 0.17 1.69 1.55 -0.17 0.00 0.00 175.17 178.46 1a5e h PRO 75 N 4.74 0.00 -0.43 4.34 0.13 -1.94 0.29 132.00 139.13 1a5e h PRO 75 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1a5e h PRO 75 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1a5e h PRO 75 CO 0.67 0.51 -0.51 0.00 -0.23 0.00 0.00 178.00 178.44 1a5e h ALA 76 N 1.49 -0.71 -0.56 -0.56 0.00 -1.97 -3.27 119.26 113.68 1a5e h ALA 76 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1a5e h ALA 76 Cb 0.94 1.12 -0.40 0.00 0.00 0.00 0.00 17.79 19.45 1a5e h ALA 76 CO 0.07 -0.97 -1.09 0.25 0.00 0.00 0.00 179.25 177.51 1a5e n THR 77 N -5.09 1.38 -4.07 0.00 -2.24 -1.24 -4.99 114.28 98.02 1a5e n THR 77 Ca -0.03 -3.10 -0.36 0.00 -2.27 0.00 0.00 64.05 58.29 1a5e n THR 77 Cb 0.30 0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.53 -0.37 -4.57 3.22 4.77 0.10 -2.30 117.00 117.32 1a5e n LEU 78 Ca 0.12 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 1a5e n LEU 78 Cb 0.82 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1a5e n LEU 78 CO 0.13 0.61 1.21 -0.89 -1.33 0.00 0.00 177.39 177.13 1a5e s THR 79 N -3.90 3.82 0.30 -5.08 2.01 -1.03 -3.90 115.64 107.86 1a5e s THR 79 Ca 0.27 0.67 -0.27 0.00 0.31 0.00 0.00 61.69 62.67 1a5e s THR 79 Cb -0.15 -4.56 -0.10 0.00 0.01 0.00 0.00 72.50 67.70 1a5e s THR 79 CO 0.87 -1.31 0.96 -0.60 -0.69 0.00 0.00 174.62 173.85 1a5e s ARG 80 N 5.46 4.64 0.04 4.92 6.06 -1.26 -2.86 118.95 135.95 1a5e s ARG 80 Ca 0.48 1.42 0.12 0.00 -2.50 0.00 0.00 55.73 55.24 1a5e s ARG 80 Cb -0.10 -2.95 0.51 0.00 0.06 0.00 0.00 34.95 32.48 1a5e s ARG 80 CO 0.23 0.32 1.37 -0.35 -2.50 0.00 0.00 175.30 174.38 1a5e n PRO 81 N 0.83 0.02 -0.02 5.12 -0.04 -1.26 -2.22 135.00 137.43 1a5e n PRO 81 Ca 0.01 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.72 1a5e n PRO 81 Cb 0.49 -1.56 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.30 -0.97 0.52 2.07 -1.91 -3.02 116.25 114.25 1a5e h VAL 82 Ca 0.00 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 65.90 1a5e h VAL 82 Cb 0.18 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1a5e h VAL 82 CO 0.00 0.53 0.62 0.45 0.02 0.00 0.00 177.57 179.19 1a5e h HIS 83 N 0.50 1.15 -0.06 1.57 3.86 -1.77 -2.78 115.15 117.64 1a5e h HIS 83 Ca 0.03 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1a5e h HIS 83 Cb 1.02 -0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.05 1a5e h HIS 83 CO 0.05 0.60 -0.49 -0.44 0.86 0.00 0.00 177.93 178.51 1a5e h ASP 84 N 1.13 -1.51 -0.51 2.45 5.19 -1.68 1.77 116.42 123.27 1a5e h ASP 84 Ca 0.42 0.18 0.09 0.00 -0.62 0.00 0.00 57.03 57.10 1a5e h ASP 84 Cb 0.15 0.59 -0.10 0.00 0.18 0.00 0.00 39.33 40.15 1a5e h ASP 84 CO -0.17 -0.48 -0.37 0.00 -3.12 0.00 0.00 179.24 175.10 1a5e h ALA 85 N -0.18 -0.20 -0.32 3.45 0.00 -1.58 0.66 119.26 121.09 1a5e h ALA 85 Ca 0.04 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1a5e h ALA 85 Cb 0.68 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1a5e h ALA 85 CO -0.38 -0.75 -0.22 0.00 0.00 0.00 0.00 179.25 177.91 1a5e h ALA 86 N 0.77 1.03 -1.02 0.00 0.00 -1.35 0.21 119.26 118.90 1a5e h ALA 86 Ca 0.19 -0.34 0.30 0.00 0.00 0.00 0.00 54.91 55.06 1a5e h ALA 86 Cb 0.56 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 1a5e h ALA 86 CO -0.63 0.58 0.60 -0.09 0.00 0.00 0.00 179.25 179.71 1a5e h ARG 87 N 0.54 0.39 -0.01 0.00 1.12 0.51 0.14 114.38 117.06 1a5e h ARG 87 Ca 0.08 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1a5e h ARG 87 Cb 0.66 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1a5e h ARG 87 CO 0.05 0.26 -0.27 -1.91 -3.11 0.00 0.00 179.97 174.99 1a5e n GLU 88 N -4.94 1.60 -2.11 0.20 2.13 -1.08 -4.97 120.64 111.47 1a5e n GLU 88 Ca 0.30 -0.98 0.00 0.00 0.66 0.00 0.00 57.16 57.13 1a5e n GLU 88 Cb 0.92 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 31.33 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a5e n GLY 89 N 1.12 0.75 3.21 8.31 0.00 0.48 -5.01 105.19 114.06 1a5e n GLY 89 Ca 0.08 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.51 3.91 0.17 1.61 2.19 0.71 -4.89 117.98 119.18 1a5e s PHE 90 Ca 0.00 -2.70 -0.14 0.00 0.33 0.00 0.00 56.93 54.42 1a5e s PHE 90 Cb 0.00 -3.52 0.12 0.00 -1.31 0.00 0.00 43.02 38.31 1a5e s PHE 90 CO 0.00 -0.86 1.77 1.25 1.83 0.00 0.00 175.22 179.21 1a5e h LEU 91 N 6.67 0.29 -1.21 6.12 6.46 -1.93 -2.04 115.31 129.66 1a5e h LEU 91 Ca 0.13 0.03 0.39 0.00 -0.12 0.00 0.00 57.88 58.31 1a5e h LEU 91 Cb 0.89 -0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 40.66 1a5e h LEU 91 CO 0.86 0.20 0.70 0.44 -0.62 0.00 0.00 178.44 180.02 1a5e h ASP 92 N 0.42 0.35 -0.48 1.25 3.32 -1.96 0.94 116.42 120.27 1a5e h ASP 92 Ca 0.21 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 1a5e h ASP 92 Cb 0.14 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1a5e h ASP 92 CO -0.17 -0.20 0.22 0.74 -1.72 0.00 0.00 179.24 178.11 1a5e h THR 93 N 0.16 1.19 0.56 0.35 2.02 -1.69 -2.90 112.91 112.61 1a5e h THR 93 Ca 0.79 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 1a5e h THR 93 Cb 2.18 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1a5e h THR 93 CO -0.53 0.22 -0.27 -0.07 0.37 0.00 0.00 175.52 175.24 1a5e h LEU 94 N 0.63 -0.64 -0.95 2.58 4.07 0.84 -2.58 115.31 119.26 1a5e h LEU 94 Ca 0.16 -0.01 0.28 0.00 0.08 0.00 0.00 57.88 58.39 1a5e h LEU 94 Cb 0.14 0.16 -0.18 0.00 1.08 0.00 0.00 40.66 41.87 1a5e h LEU 94 CO -0.02 -0.40 0.09 0.52 -1.08 0.00 0.00 178.44 177.54 1a5e n VAL 95 N -5.39 -0.40 0.18 1.22 0.31 -0.69 0.47 118.33 114.04 1a5e n VAL 95 Ca -0.12 2.07 -0.14 0.00 -0.01 0.00 0.00 64.34 66.13 1a5e n VAL 95 Cb 0.32 -3.06 -0.08 0.00 -0.91 0.00 0.00 33.84 30.11 1a5e n VAL 95 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1a5e h VAL 96 N 0.00 0.71 -0.24 2.52 2.07 -1.30 0.39 116.25 120.40 1a5e h VAL 96 Ca 0.61 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.85 1a5e h VAL 96 Cb 1.31 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 1a5e h VAL 96 CO -0.87 0.07 -0.51 -0.07 0.02 0.00 0.00 177.57 176.21 1a5e h LEU 97 N -0.60 -1.64 -1.63 2.57 3.38 0.41 0.15 115.31 117.97 1a5e h LEU 97 Ca -0.04 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1a5e h LEU 97 Cb 0.43 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1a5e h LEU 97 CO 0.07 -0.44 -0.21 -0.74 0.09 0.00 0.00 178.44 177.21 1a5e h HIS 98 N -0.49 0.00 0.00 1.13 2.76 -1.05 -1.27 115.15 116.22 1a5e h HIS 98 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1a5e h HIS 98 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1a5e h HIS 98 CO -0.61 0.21 0.00 -2.13 -1.30 0.00 0.00 177.93 174.10 1a5e n ARG 99 N -4.05 0.39 -2.81 5.26 0.63 0.14 -3.72 116.66 112.50 1a5e n ARG 99 Ca -0.02 0.07 -0.11 0.00 -0.92 0.00 0.00 57.85 56.87 1a5e n ARG 99 Cb 0.28 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.73 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 -1.19 2.09 -2.39 5.13 0.00 -0.49 -5.02 120.51 118.63 1a5e n ALA 100 Ca 0.11 -2.62 -0.01 0.00 0.00 0.00 0.00 53.44 50.92 1a5e n ALA 100 Cb 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.03 -4.88 2.91 0.00 0.00 -1.19 -4.95 105.19 97.05 1a5e n GLY 101 Ca 0.10 0.41 -0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.26 -0.24 4.61 0.00 -1.22 -4.69 121.76 116.44 1a5e s ALA 102 Ca -0.06 0.47 -0.37 0.00 0.00 0.00 0.00 51.96 52.01 1a5e s ALA 102 Cb 0.00 -2.86 -0.13 0.00 0.00 0.00 0.00 23.12 20.14 1a5e s ALA 102 CO 0.15 -2.35 1.93 -2.13 0.00 0.00 0.00 175.76 173.36 1a5e n ARG 103 N 3.65 1.45 -0.01 0.00 0.63 -1.26 -4.62 116.66 116.50 1a5e n ARG 103 Ca 0.11 0.50 0.10 0.00 -0.92 0.00 0.00 57.85 57.64 1a5e n ARG 103 Cb 0.60 -2.39 -0.14 0.00 0.45 0.00 0.00 32.46 30.98 1a5e n ARG 103 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1a5e n LEU 104 N 7.19 0.36 -2.83 6.15 4.32 -1.26 -4.54 117.00 126.39 1a5e n LEU 104 Ca 0.30 -0.19 -0.30 0.00 -0.02 0.00 0.00 56.01 55.80 1a5e n LEU 104 Cb 0.21 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.95 1a5e n LEU 104 CO 0.77 0.09 2.28 -0.67 -1.22 0.00 0.00 177.39 178.64 1a5e n ASP 105 N -1.93 7.16 -2.06 -1.43 2.03 -1.26 -4.70 116.55 114.36 1a5e n ASP 105 Ca -0.01 -2.84 -0.01 0.00 0.52 0.00 0.00 54.79 52.45 1a5e n ASP 105 Cb 0.45 -1.40 -0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1a5e n VAL 106 N 2.20 0.00 -4.04 5.18 3.14 -1.26 -5.06 118.33 118.49 1a5e n VAL 106 Ca 0.59 -0.05 -0.16 0.00 -2.96 0.00 0.00 64.34 61.76 1a5e n VAL 106 Cb 0.48 -0.46 -0.15 0.00 -1.06 0.00 0.00 33.84 32.65 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 -2.05 0.36 -1.00 1.45 0.52 -1.26 -4.56 118.95 112.42 1a5e s ARG 107 Ca 0.01 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.09 1a5e s ARG 107 Cb -0.00 -0.41 -0.08 0.00 0.52 0.00 0.00 34.95 34.98 1a5e s ARG 107 CO 0.00 -0.00 2.40 -0.25 0.02 0.00 0.00 175.30 177.47 1a5e n ASP 108 N 3.46 5.79 0.00 0.23 9.92 -0.63 -4.69 116.55 130.64 1a5e n ASP 108 Ca -0.19 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 1a5e n ASP 108 Cb 0.55 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 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 3.86 0.00 -0.24 2.24 0.00 -0.97 -3.66 120.51 121.74 1a5e n ALA 109 Ca 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 1a5e n ALA 109 Cb 0.21 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 0.91 0.00 0.00 0.00 177.50 178.41 1a5e n TRP 110 N 0.00 -0.25 0.00 0.00 5.03 -1.26 -4.82 117.44 116.14 1a5e n TRP 110 Ca 0.00 0.72 0.00 0.00 3.03 0.00 0.00 57.50 61.25 1a5e n TRP 110 Cb 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 31.31 29.76 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1a5e n GLY 111 N -1.14 0.86 3.54 6.99 0.00 -1.24 -5.13 105.19 109.06 1a5e n GLY 111 Ca 0.01 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 1.01 -3.81 1.61 1.74 -1.26 -4.54 116.66 111.41 1a5e n ARG 112 Ca 0.00 0.36 -0.23 0.00 -0.77 0.00 0.00 57.85 57.21 1a5e n ARG 112 Cb 0.00 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 29.69 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 0.89 3.24 0.13 0.55 1.02 -1.26 -1.60 118.68 121.65 1a5e s LEU 113 Ca 0.61 -0.91 -0.12 0.00 0.02 0.00 0.00 54.13 53.73 1a5e s LEU 113 Cb -0.68 -1.75 -0.07 0.00 0.02 0.00 0.00 46.19 43.71 1a5e s LEU 113 CO 0.59 -0.64 1.44 1.55 0.02 0.00 0.00 176.35 179.31 1a5e h PRO 114 N 1.17 0.90 -0.14 1.29 0.13 -1.84 -1.21 132.00 132.30 1a5e h PRO 114 Ca -0.42 -0.52 -0.14 0.00 -0.87 0.00 0.00 66.00 64.06 1a5e h PRO 114 Cb 1.26 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1a5e h PRO 114 CO 0.62 1.16 -0.50 -0.24 -0.23 0.00 0.00 178.00 178.82 1a5e h VAL 115 N 0.70 1.33 0.08 1.56 3.04 -1.88 -2.88 116.25 118.20 1a5e h VAL 115 Ca 0.04 -1.74 -0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1a5e h VAL 115 Cb 1.05 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1a5e h VAL 115 CO 0.11 0.53 -0.04 0.44 -1.01 0.00 0.00 177.57 177.59 1a5e h ASP 116 N 0.30 -0.09 -0.87 3.17 5.19 -1.90 -2.13 116.42 120.11 1a5e h ASP 116 Ca 0.01 -0.44 0.22 0.00 -0.62 0.00 0.00 57.03 56.20 1a5e h ASP 116 Cb 0.99 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.47 1a5e h ASP 116 CO 0.09 0.43 0.60 0.25 -3.12 0.00 0.00 179.24 177.48 1a5e h LEU 117 N -0.64 0.19 -0.05 1.55 5.85 -1.24 0.40 115.31 121.37 1a5e h LEU 117 Ca -0.01 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1a5e h LEU 117 Cb 0.53 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1a5e h LEU 117 CO 0.02 0.07 -0.28 0.00 -0.34 0.00 0.00 178.44 177.91 1a5e h ALA 118 N 1.60 0.10 -0.01 1.25 0.00 -1.37 -2.38 119.26 118.45 1a5e h ALA 118 Ca 0.43 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1a5e h ALA 118 Cb 1.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1a5e h ALA 118 CO -0.09 0.13 -0.38 1.49 0.00 0.00 0.00 179.25 180.40 1a5e h GLU 119 N -0.27 0.03 -0.44 0.00 4.81 -0.41 1.25 114.58 119.55 1a5e h GLU 119 Ca -0.02 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1a5e h GLU 119 Cb 0.94 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1a5e h GLU 119 CO 0.06 0.41 -0.14 1.49 -0.73 0.00 0.00 179.01 180.10 1a5e h GLU 120 N 0.03 0.88 -0.00 1.92 4.81 -0.26 -2.79 114.58 119.16 1a5e h GLU 120 Ca -0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1a5e h GLU 120 Cb 0.69 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1a5e h GLU 120 CO 0.05 0.99 -0.07 1.28 -0.73 0.00 0.00 179.01 180.53 1a5e n LEU 121 N -4.24 0.35 0.00 1.64 4.77 -0.90 -4.89 117.00 113.74 1a5e n LEU 121 Ca -0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1a5e n LEU 121 Cb 0.40 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1a5e n LEU 121 CO 0.44 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1a5e n GLY 122 N 1.25 1.18 2.67 -0.72 0.00 -0.80 -4.98 105.19 103.79 1a5e n GLY 122 Ca 0.16 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.14 2.79 -0.37 1.61 8.25 0.42 -4.71 115.22 121.07 1a5e n HIS 123 Ca 0.00 -2.43 0.28 0.00 -0.26 0.00 0.00 57.72 55.32 1a5e n HIS 123 Cb 0.10 -1.27 0.54 0.00 1.12 0.00 0.00 29.99 30.48 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 2.69 0.24 -0.47 -0.41 -0.00 -1.88 1.59 114.38 116.13 1a5e h ARG 124 Ca 0.54 -0.01 0.07 0.00 -0.00 0.00 0.00 59.98 60.57 1a5e h ARG 124 Cb 0.35 -0.05 -0.06 0.00 -0.00 0.00 0.00 29.97 30.20 1a5e h ARG 124 CO 1.37 0.16 0.15 0.22 -0.00 0.00 0.00 179.97 181.87 1a5e h ASP 125 N 0.25 0.13 0.09 0.08 3.58 -1.94 0.81 116.42 119.41 1a5e h ASP 125 Ca 0.74 0.06 -0.12 0.00 0.42 0.00 0.00 57.03 58.13 1a5e h ASP 125 Cb 1.96 0.06 0.01 0.00 1.72 0.00 0.00 39.33 43.08 1a5e h ASP 125 CO -0.49 0.10 -0.54 0.58 -2.88 0.00 0.00 179.24 176.01 1a5e h VAL 126 N 0.31 1.60 -0.79 2.25 2.07 0.84 -2.86 116.25 119.67 1a5e h VAL 126 Ca 0.23 -2.44 0.15 0.00 0.82 0.00 0.00 66.70 65.46 1a5e h VAL 126 Cb 0.25 3.22 -0.10 0.00 -1.52 0.00 0.00 31.29 33.14 1a5e h VAL 126 CO -0.25 0.67 0.35 0.00 0.02 0.00 0.00 177.57 178.36 1a5e h ALA 127 N 0.07 1.15 0.29 1.67 0.00 0.21 1.03 119.26 123.68 1a5e h ALA 127 Ca -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a5e h ALA 127 Cb 1.41 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1a5e h ALA 127 CO 0.10 -0.19 -0.14 -0.09 0.00 0.00 0.00 179.25 178.93 1a5e h ARG 128 N 0.49 -0.38 -0.97 0.00 2.43 0.55 -0.98 114.38 115.52 1a5e h ARG 128 Ca 0.44 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.67 1a5e h ARG 128 Cb 0.68 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 1a5e h ARG 128 CO -0.41 -0.04 0.64 -0.92 -1.51 0.00 0.00 179.97 177.73 1a5e h TYR 129 N -0.80 1.19 -0.44 2.20 5.03 -1.18 -0.58 116.97 122.40 1a5e h TYR 129 Ca -0.04 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1a5e h TYR 129 Cb 0.51 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1a5e h TYR 129 CO 0.03 0.69 0.16 -0.07 -1.32 0.00 0.00 178.16 177.66 1a5e h LEU 130 N 1.23 0.56 -1.69 2.82 3.38 0.11 -1.05 115.31 120.69 1a5e h LEU 130 Ca 0.38 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1a5e h LEU 130 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1a5e h LEU 130 CO -0.12 0.52 -0.19 -0.09 0.09 0.00 0.00 178.44 178.66 1a5e h ARG 131 N 0.62 0.00 0.17 1.13 2.43 0.31 1.49 114.38 120.52 1a5e h ARG 131 Ca 0.15 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.01 1a5e h ARG 131 Cb 0.15 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1a5e h ARG 131 CO -0.01 0.19 -1.43 0.00 -1.51 0.00 0.00 179.97 177.21 1a5e h ALA 132 N 1.81 0.08 0.00 2.80 0.00 -0.89 0.29 119.26 123.35 1a5e h ALA 132 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1a5e h ALA 132 Cb 0.40 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a5e h ALA 132 CO 0.02 0.95 -0.76 0.00 0.00 0.00 0.00 179.25 179.46 1a5e h ALA 133 N 0.40 0.52 0.00 0.00 0.00 -0.97 -3.42 119.26 115.80 1a5e h ALA 133 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 133 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1a5e h ALA 133 CO 0.21 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.93 1a5e n ALA 134 N -1.91 3.00 -0.61 0.00 0.00 0.50 -4.06 120.51 117.44 1a5e n ALA 134 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1a5e n ALA 134 Cb 0.46 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.32 2.03 0.00 0.00 0.00 0.10 -4.58 105.19 105.06 1a5e n GLY 135 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 3.76 -0.02 0.00 -1.26 -4.89 105.19 102.78 1a5e n GLY 136 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1a5e n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a5e s THR 137 N 0.00 3.13 0.00 2.61 -1.32 -1.26 -4.89 115.64 113.90 1a5e s THR 137 Ca 0.00 1.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.61 1a5e s THR 137 Cb 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.27 1a5e s THR 137 CO 0.00 0.27 0.68 -1.14 -2.21 0.00 0.00 174.62 172.22 1a5e n ARG 138 N 1.03 0.00 0.00 7.08 3.00 -1.26 -5.14 116.66 121.37 1a5e n ARG 138 Ca -0.01 -0.61 0.00 0.00 -0.00 0.00 0.00 57.85 57.23 1a5e n ARG 138 Cb 0.43 0.41 0.00 0.00 0.00 0.00 0.00 32.46 33.30 1a5e n ARG 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5e n GLY 139 N 0.00 3.09 2.24 5.14 0.00 -1.26 -5.10 105.19 109.31 1a5e n GLY 139 Ca -0.17 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.88 0.14 1.61 7.64 -1.26 -4.83 113.62 117.81 1a5e n SER 140 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1a5e n SER 140 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1a5e n SER 140 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1a5e n ASN 141 N 0.99 -0.22 -1.48 6.43 2.85 -1.26 -4.94 115.26 117.63 1a5e n ASN 141 Ca 0.23 0.49 -0.12 0.00 -0.11 0.00 0.00 54.58 55.07 1a5e n ASN 141 Cb 0.55 0.44 0.09 0.00 1.24 0.00 0.00 39.78 42.10 1a5e n ASN 141 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1a5e n HIS 142 N -3.45 1.63 -4.00 1.20 8.25 -1.26 -5.03 115.22 112.56 1a5e n HIS 142 Ca 0.00 -1.92 -0.10 0.00 -0.26 0.00 0.00 57.72 55.44 1a5e n HIS 142 Cb 0.00 -0.30 -0.08 0.00 1.12 0.00 0.00 29.99 30.73 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 -3.42 0.18 0.26 -1.41 0.00 -1.26 -5.06 121.76 111.05 1a5e s ALA 143 Ca 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1a5e s ALA 143 Cb 0.39 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1a5e s ALA 143 CO -0.01 -0.61 0.00 0.54 0.00 0.00 0.00 175.76 175.69 1a5e n ARG 144 N -0.18 -2.00 -2.35 0.00 3.00 -1.26 -4.58 116.66 109.29 1a5e n ARG 144 Ca -0.07 1.39 -0.21 0.00 -0.01 0.00 0.00 57.85 58.95 1a5e n ARG 144 Cb 0.63 -2.49 0.02 0.00 0.00 0.00 0.00 32.46 30.62 1a5e n ARG 144 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1a5e n ILE 145 N -3.20 2.18 -3.17 0.55 3.06 -1.26 -4.93 119.36 112.58 1a5e n ILE 145 Ca -0.01 -4.24 -0.14 0.00 -2.50 0.00 0.00 62.75 55.86 1a5e n ILE 145 Cb 0.62 -0.74 0.07 0.00 0.54 0.00 0.00 39.64 40.13 1a5e n ILE 145 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1a5e n ASP 146 N -0.54 -2.88 -4.60 9.51 2.03 -1.26 -4.89 116.55 113.92 1a5e n ASP 146 Ca 0.35 -0.55 -0.45 0.00 0.52 0.00 0.00 54.79 54.66 1a5e n ASP 146 Cb 0.82 -4.48 -0.02 0.00 -0.72 0.00 0.00 41.12 36.72 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a5e n ALA 147 N -3.53 -0.12 -1.15 -1.67 0.00 -1.26 -4.61 120.51 108.18 1a5e n ALA 147 Ca -0.21 0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1a5e n ALA 147 Cb 0.64 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 0.40 -2.50 -0.92 0.00 0.00 -1.26 -4.10 120.51 112.13 1a5e n ALA 148 Ca 0.10 0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.88 1a5e n ALA 148 Cb 0.32 -0.86 0.39 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.32 4.70 -1.14 0.00 2.13 -1.26 -5.06 120.64 116.69 1a5e n GLU 149 Ca 0.01 -3.14 0.15 0.00 0.66 0.00 0.00 57.16 54.83 1a5e n GLU 149 Cb 0.44 -2.27 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 1a5e n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a5e n GLY 150 N 0.48 -1.56 0.00 8.31 0.00 -1.26 -4.70 105.19 106.45 1a5e n GLY 150 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1a5e n GLY 150 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5e n PRO 151 N -3.47 0.00 -1.15 1.61 -0.04 -1.26 -4.86 135.00 125.83 1a5e n PRO 151 Ca -0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1a5e n PRO 151 Cb 0.63 -0.44 -0.02 0.00 -0.04 0.00 0.00 33.50 33.63 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 -0.25 -5.28 -3.03 3.54 2.88 -1.26 -3.93 113.62 106.29 1a5e n SER 152 Ca 0.00 0.13 -0.10 0.00 -1.33 0.00 0.00 58.87 57.56 1a5e n SER 152 Cb 0.00 -3.23 0.01 0.00 -0.75 0.00 0.00 64.21 60.24 1a5e n SER 152 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1a5e n ASP 153 N -0.77 -7.16 -3.20 -3.46 9.92 -1.26 -4.96 116.55 105.66 1a5e n ASP 153 Ca -0.05 0.63 -0.24 0.00 -0.53 0.00 0.00 54.79 54.60 1a5e n ASP 153 Cb 0.44 -3.73 -0.06 0.00 -0.64 0.00 0.00 41.12 37.14 1a5e n ASP 153 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e n ILE 154 N 0.39 0.81 -2.83 0.53 3.06 -1.25 -5.08 119.36 114.99 1a5e n ILE 154 Ca 0.01 -4.71 -0.41 0.00 -2.50 0.00 0.00 62.75 55.14 1a5e n ILE 154 Cb 0.38 -1.48 -0.04 0.00 0.54 0.00 0.00 39.64 39.04 1a5e n ILE 154 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1a5e s PRO 155 N -2.19 4.44 0.00 9.51 0.04 -1.26 -5.20 135.00 140.34 1a5e s PRO 155 Ca 0.40 1.19 0.27 0.00 0.04 0.00 0.00 61.00 62.90 1a5e s PRO 155 Cb 0.23 -3.50 0.80 0.00 0.04 0.00 0.00 34.50 32.07 1a5e s PRO 155 CO -0.08 -0.14 1.61 -0.25 0.04 0.00 0.00 177.00 178.17