#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e s GLU 2 N 0.00 2.08 0.66 2.12 2.12 -1.26 -5.13 118.70 119.30 1a5e s GLU 2 Ca 0.00 -1.02 -0.11 0.00 0.36 0.00 0.00 54.97 54.20 1a5e s GLU 2 Cb 0.00 -2.26 0.16 0.00 0.26 0.00 0.00 34.13 32.29 1a5e s GLU 2 CO 0.00 0.52 0.66 -0.35 -0.54 0.00 0.00 175.26 175.55 1a5e n PRO 3 N 1.02 -1.82 -3.40 4.30 -0.04 -1.26 -5.06 135.00 128.75 1a5e n PRO 3 Ca -0.15 -1.04 -0.26 0.00 -0.04 0.00 0.00 63.50 62.01 1a5e n PRO 3 Cb 0.52 -0.89 -0.10 0.00 -0.04 0.00 0.00 33.50 32.99 1a5e n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e s ALA 4 N -3.28 0.79 0.00 0.55 0.00 -1.26 -5.11 121.76 113.45 1a5e s ALA 4 Ca 0.41 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1a5e s ALA 4 Cb -0.03 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1a5e s ALA 4 CO 0.31 -2.07 0.00 0.00 0.00 0.00 0.00 175.76 174.00 1a5e n ALA 5 N 3.62 0.00 -4.18 0.00 0.00 -1.26 -5.19 120.51 113.50 1a5e n ALA 5 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 1a5e n ALA 5 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 3.78 3.24 0.00 0.00 -1.26 -4.90 105.19 106.05 1a5e n GLY 6 Ca 0.00 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.26 -6.81 0.00 1.61 2.88 -1.26 -4.84 113.62 103.93 1a5e n SER 7 Ca -0.07 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1a5e n SER 7 Cb 0.25 -3.93 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 1a5e n SER 7 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a5e n SER 8 N -1.32 0.00 0.10 -3.46 3.41 -1.26 -4.94 113.62 106.14 1a5e n SER 8 Ca -0.06 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1a5e n SER 8 Cb 0.56 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.71 1a5e n SER 8 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1a5e h MET 9 N 0.00 0.00 -0.45 4.33 0.00 -1.93 -3.45 114.93 113.43 1a5e h MET 9 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 59.70 59.92 1a5e h MET 9 Cb 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 31.60 31.38 1a5e h MET 9 CO 0.00 0.00 0.17 -2.00 0.00 0.00 0.00 176.91 175.08 1a5e s GLU 10 N -3.19 0.20 -1.18 1.72 2.12 -1.26 -5.07 118.70 112.04 1a5e s GLU 10 Ca 0.06 0.40 -0.22 0.00 0.36 0.00 0.00 54.97 55.57 1a5e s GLU 10 Cb 0.11 0.23 -0.07 0.00 0.26 0.00 0.00 34.13 34.66 1a5e s GLU 10 CO 0.70 -0.18 1.92 -1.25 -0.54 0.00 0.00 175.26 175.91 1a5e s PRO 11 N 2.78 2.62 -0.05 4.30 0.04 -1.26 -4.65 135.00 138.78 1a5e s PRO 11 Ca -0.01 -1.19 0.20 0.00 0.04 0.00 0.00 61.00 60.04 1a5e s PRO 11 Cb -0.09 -5.26 0.66 0.00 0.04 0.00 0.00 34.50 29.85 1a5e s PRO 11 CO -0.13 -3.82 1.56 0.45 0.04 0.00 0.00 177.00 175.10 1a5e n SER 12 N 13.88 4.17 -3.36 6.66 2.88 -1.26 -4.32 113.62 132.27 1a5e n SER 12 Ca 0.45 -2.19 -0.31 0.00 -1.33 0.00 0.00 58.87 55.49 1a5e n SER 12 Cb 0.47 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e n ALA 13 N 1.36 4.14 0.07 -1.46 0.00 -1.26 -4.50 120.51 118.87 1a5e n ALA 13 Ca 0.24 -2.54 0.05 0.00 0.00 0.00 0.00 53.44 51.19 1a5e n ALA 13 Cb 0.72 -3.26 0.23 0.00 0.00 0.00 0.00 19.45 17.14 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5e n ASP 14 N 5.55 3.41 -0.31 0.00 5.68 -1.26 -4.30 116.55 125.33 1a5e n ASP 14 Ca 0.46 -2.41 0.15 0.00 -0.50 0.00 0.00 54.79 52.49 1a5e n ASP 14 Cb 0.24 -0.53 0.32 0.00 -1.14 0.00 0.00 41.12 40.02 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1a5e h TRP 15 N 2.38 0.47 0.70 2.11 6.55 -1.94 0.23 115.95 126.46 1a5e h TRP 15 Ca 0.00 0.05 -0.03 0.00 0.95 0.00 0.00 58.89 59.86 1a5e h TRP 15 Cb 1.17 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 29.41 1a5e h TRP 15 CO 0.56 -0.19 -0.43 -0.07 -1.05 0.00 0.00 178.44 177.25 1a5e h LEU 16 N 0.24 -1.09 -0.10 -4.49 3.38 -1.88 -1.07 115.31 110.29 1a5e h LEU 16 Ca 0.59 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.65 1a5e h LEU 16 Cb 1.21 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 42.24 1a5e h LEU 16 CO -0.64 -0.67 -0.13 0.00 0.09 0.00 0.00 178.44 177.09 1a5e h ALA 17 N -0.87 -0.07 0.06 1.53 0.00 -1.41 0.44 119.26 118.94 1a5e h ALA 17 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5e h ALA 17 Cb 0.86 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1a5e h ALA 17 CO 0.09 -0.59 -0.21 1.79 0.00 0.00 0.00 179.25 180.33 1a5e h THR 18 N -0.17 0.00 0.13 0.00 1.35 -0.49 0.63 112.91 114.36 1a5e h THR 18 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1a5e h THR 18 Cb 0.29 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 1a5e h THR 18 CO -0.20 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 174.94 1a5e h ALA 19 N -1.19 -0.25 -0.04 6.62 0.00 -1.15 -2.30 119.26 120.96 1a5e h ALA 19 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1a5e h ALA 19 Cb 0.30 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1a5e h ALA 19 CO -0.10 -0.66 -0.47 0.00 0.00 0.00 0.00 179.25 178.02 1a5e h ALA 20 N 0.57 -0.76 -0.34 0.00 0.00 0.04 0.18 119.26 118.95 1a5e h ALA 20 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1a5e h ALA 20 Cb 0.26 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1a5e h ALA 20 CO -0.03 -1.01 0.45 0.00 0.00 0.00 0.00 179.25 178.65 1a5e h ALA 21 N -0.14 1.98 -0.80 0.00 0.00 0.11 0.27 119.26 120.68 1a5e h ALA 21 Ca 0.04 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 1a5e h ALA 21 Cb 0.68 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 1a5e h ALA 21 CO -0.36 -0.62 0.34 -2.13 0.00 0.00 0.00 179.25 176.48 1a5e n ARG 22 N -3.52 3.54 -3.76 0.00 3.00 0.48 -3.76 116.66 112.63 1a5e n ARG 22 Ca 0.06 -3.08 -0.23 0.00 -0.00 0.00 0.00 57.85 54.59 1a5e n ARG 22 Cb 0.60 -2.22 0.03 0.00 0.00 0.00 0.00 32.46 30.86 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 -0.29 -0.33 2.60 5.14 0.00 0.94 -4.92 105.19 108.33 1a5e n GLY 23 Ca 0.44 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 1a5e n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 24 N -4.37 2.46 0.51 1.61 1.74 -0.35 -4.94 116.66 113.32 1a5e n ARG 24 Ca -0.23 -4.62 -0.20 0.00 -0.77 0.00 0.00 57.85 52.04 1a5e n ARG 24 Cb 0.65 -2.29 -0.09 0.00 -1.02 0.00 0.00 32.46 29.70 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a5e h VAL 25 N 3.53 0.00 -1.12 1.55 2.07 -1.91 -2.19 116.25 118.18 1a5e h VAL 25 Ca 0.19 -0.03 0.31 0.00 0.82 0.00 0.00 66.70 67.99 1a5e h VAL 25 Cb 0.69 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1a5e h VAL 25 CO 0.83 0.00 0.73 -0.33 0.02 0.00 0.00 177.57 178.83 1a5e h GLU 26 N -1.32 0.26 -0.34 1.57 4.39 -1.98 0.52 114.58 117.68 1a5e h GLU 26 Ca -0.13 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 1a5e h GLU 26 Cb 0.99 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1a5e h GLU 26 CO 0.22 0.17 -0.45 0.93 -1.16 0.00 0.00 179.01 178.73 1a5e h GLU 27 N 0.27 0.87 0.00 2.33 3.07 -1.91 -3.09 114.58 116.13 1a5e h GLU 27 Ca 0.63 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1a5e h GLU 27 Cb 1.83 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.77 1a5e h GLU 27 CO -0.27 1.13 -0.02 0.28 -1.40 0.00 0.00 179.01 178.74 1a5e h VAL 28 N 0.70 1.64 -0.92 3.13 2.07 0.43 -2.30 116.25 120.99 1a5e h VAL 28 Ca 0.04 -1.90 0.24 0.00 0.82 0.00 0.00 66.70 65.91 1a5e h VAL 28 Cb 1.04 2.93 -0.17 0.00 -1.52 0.00 0.00 31.29 33.57 1a5e h VAL 28 CO 0.10 0.50 0.05 0.03 0.02 0.00 0.00 177.57 178.27 1a5e h ARG 29 N -0.79 0.05 0.07 1.57 -0.00 -0.37 0.22 114.38 115.15 1a5e h ARG 29 Ca -0.00 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1a5e h ARG 29 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.78 1a5e h ARG 29 CO 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 179.97 179.97 1a5e h ALA 30 N 1.90 -0.10 0.07 0.04 0.00 -1.61 -3.10 119.26 116.46 1a5e h ALA 30 Ca 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a5e h ALA 30 Cb 1.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1a5e h ALA 30 CO -0.83 -0.24 -0.17 -0.07 0.00 0.00 0.00 179.25 177.94 1a5e h LEU 31 N -0.72 -0.49 -0.85 0.00 3.38 -0.37 0.82 115.31 117.08 1a5e h LEU 31 Ca -0.01 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1a5e h LEU 31 Cb 0.58 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 1a5e h LEU 31 CO 0.02 -0.18 -0.56 0.25 0.09 0.00 0.00 178.44 178.06 1a5e h LEU 32 N -0.26 -2.00 -0.43 1.67 7.12 -0.81 0.86 115.31 121.47 1a5e h LEU 32 Ca -0.01 0.31 0.00 0.00 0.13 0.00 0.00 57.88 58.31 1a5e h LEU 32 Cb 0.25 0.88 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1a5e h LEU 32 CO -0.07 -0.28 0.00 1.21 -0.13 0.00 0.00 178.44 179.17 1a5e n GLU 33 N -5.31 0.15 0.00 1.25 2.13 -1.15 -2.49 120.64 115.23 1a5e n GLU 33 Ca 0.02 0.34 0.14 0.00 0.66 0.00 0.00 57.16 58.31 1a5e n GLU 33 Cb 0.29 -1.77 0.53 0.00 0.27 0.00 0.00 31.44 30.77 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 -1.70 2.85 0.00 4.31 0.00 0.29 -4.87 120.51 121.39 1a5e n ALA 34 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1a5e n ALA 34 Cb 0.25 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.37 1.09 3.57 0.00 0.00 -0.72 -5.02 105.19 105.49 1a5e n GLY 35 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.25 -1.33 4.61 0.00 -0.62 -4.88 120.51 118.04 1a5e n ALA 36 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 1a5e n ALA 36 Cb 0.00 -2.01 0.11 0.00 0.00 0.00 0.00 19.45 17.55 1a5e n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a5e n LEU 37 N 0.76 4.97 0.00 0.00 4.32 -1.26 -4.71 117.00 121.09 1a5e n LEU 37 Ca 0.10 0.67 -0.07 0.00 -0.02 0.00 0.00 56.01 56.69 1a5e n LEU 37 Cb 0.38 -1.52 -0.06 0.00 -1.62 0.00 0.00 43.42 40.60 1a5e n LEU 37 CO 0.57 -1.46 0.23 1.55 -1.22 0.00 0.00 177.39 177.06 1a5e h PRO 38 N -0.39 -0.12 0.00 3.23 0.13 -1.90 -3.44 132.00 129.51 1a5e h PRO 38 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1a5e h PRO 38 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1a5e h PRO 38 CO 0.48 0.25 -0.26 0.09 -0.23 0.00 0.00 178.00 178.33 1a5e n ASN 39 N -4.82 0.58 -2.59 1.44 4.13 -1.26 -4.50 115.26 108.23 1a5e n ASN 39 Ca -0.05 0.18 -0.05 0.00 1.68 0.00 0.00 54.58 56.34 1a5e n ASN 39 Cb 0.21 -0.59 -0.04 0.00 -1.54 0.00 0.00 39.78 37.82 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a5e n ALA 40 N -2.96 -3.27 -2.08 5.41 0.00 -1.26 -4.32 120.51 112.02 1a5e n ALA 40 Ca -0.04 2.02 -0.42 0.00 0.00 0.00 0.00 53.44 55.00 1a5e n ALA 40 Cb 0.13 -4.07 -0.03 0.00 0.00 0.00 0.00 19.45 15.49 1a5e n ALA 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a5e s PRO 41 N -0.61 4.22 0.00 0.00 0.04 -1.26 -4.73 135.00 132.66 1a5e s PRO 41 Ca -0.23 2.12 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1a5e s PRO 41 Cb 0.02 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1a5e s PRO 41 CO 0.63 -0.74 0.00 0.27 0.04 0.00 0.00 177.00 177.20 1a5e n ASN 42 N 6.31 0.39 -2.26 6.66 0.23 -1.26 -4.84 115.26 120.48 1a5e n ASN 42 Ca 0.16 -0.69 -0.32 0.00 -0.53 0.00 0.00 54.58 53.19 1a5e n ASN 42 Cb 0.43 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.22 1a5e n ASN 42 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1a5e n SER 43 N -1.81 6.84 -0.05 0.53 3.41 -1.26 -4.36 113.62 116.93 1a5e n SER 43 Ca 0.00 -3.76 0.03 0.00 -0.26 0.00 0.00 58.87 54.88 1a5e n SER 43 Cb 0.00 -0.90 0.05 0.00 -0.26 0.00 0.00 64.21 63.10 1a5e n SER 43 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1a5e n TYR 44 N -0.94 0.00 -1.95 7.33 4.02 -1.26 -4.97 117.16 119.40 1a5e n TYR 44 Ca 0.60 -0.60 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1a5e n TYR 44 Cb 0.82 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 40.02 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5e n GLY 45 N -0.75 0.63 3.63 2.72 0.00 -1.26 -4.92 105.19 105.24 1a5e n GLY 45 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1a5e n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a5e s ARG 46 N -4.24 0.72 0.54 1.61 1.70 -1.26 -4.73 118.95 113.29 1a5e s ARG 46 Ca 0.00 1.18 -0.09 0.00 -0.47 0.00 0.00 55.73 56.35 1a5e s ARG 46 Cb 0.00 0.18 0.14 0.00 -0.57 0.00 0.00 34.95 34.70 1a5e s ARG 46 CO 0.00 -0.14 0.33 0.54 -1.08 0.00 0.00 175.30 174.95 1a5e n ARG 47 N 4.05 -2.98 -0.22 3.89 3.00 -1.26 -4.66 116.66 118.47 1a5e n ARG 47 Ca -0.19 -0.55 -0.11 0.00 -0.01 0.00 0.00 57.85 56.98 1a5e n ARG 47 Cb 0.58 -0.70 0.10 0.00 0.00 0.00 0.00 32.46 32.45 1a5e n ARG 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1a5e n PRO 48 N -3.37 -2.52 0.00 5.56 -0.04 -1.26 -3.91 135.00 129.45 1a5e n PRO 48 Ca 0.05 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1a5e n PRO 48 Cb 0.22 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 -3.77 0.00 -0.06 0.52 5.41 -1.26 -4.05 119.36 116.15 1a5e n ILE 49 Ca 0.05 0.00 0.25 0.00 1.00 0.00 0.00 62.75 64.05 1a5e n ILE 49 Cb 0.22 0.00 0.65 0.00 -0.71 0.00 0.00 39.64 39.80 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 -0.31 0.38 4.15 -1.91 0.66 115.11 118.08 1a5e h GLN 50 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 1a5e h GLN 50 Cb 0.00 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 27.50 1a5e h GLN 50 CO 0.00 0.00 -0.65 1.55 -1.93 0.00 0.00 178.83 177.80 1a5e n VAL 51 N -3.60 2.28 -1.00 2.39 3.14 -1.26 -4.78 118.33 115.51 1a5e n VAL 51 Ca 0.15 -3.59 -0.23 0.00 -2.96 0.00 0.00 64.34 57.70 1a5e n VAL 51 Cb 1.00 -0.55 0.07 0.00 -1.06 0.00 0.00 33.84 33.29 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 -0.91 2.14 0.00 1.45 0.00 0.23 -1.75 117.12 118.27 1a5e n MET 52 Ca 0.29 -2.29 0.00 0.00 0.00 0.00 0.00 57.70 55.70 1a5e n MET 52 Cb 0.81 -1.90 0.00 0.00 0.00 0.00 0.00 33.22 32.14 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 -0.29 0.00 -2.19 3.17 1.56 -1.19 -3.72 117.12 114.46 1a5e n MET 53 Ca 0.44 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.78 1a5e n MET 53 Cb 0.74 -3.10 -0.01 0.00 2.15 0.00 0.00 33.22 33.00 1a5e n MET 53 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1a5e n MET 54 N -1.96 -2.16 -0.13 2.12 2.81 -1.26 -4.69 117.12 111.85 1a5e n MET 54 Ca 0.00 0.46 0.01 0.00 -1.81 0.00 0.00 57.70 56.36 1a5e n MET 54 Cb 0.00 -4.94 0.02 0.00 -0.71 0.00 0.00 33.22 27.59 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 -0.60 0.19 2.44 3.03 0.00 -1.24 -4.71 105.19 104.29 1a5e n GLY 55 Ca -0.10 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.30 -0.99 -0.17 1.61 7.64 -1.26 -4.97 113.62 115.18 1a5e n SER 56 Ca 0.02 -2.55 0.29 0.00 1.01 0.00 0.00 58.87 57.64 1a5e n SER 56 Cb 0.51 -0.08 0.73 0.00 -1.01 0.00 0.00 64.21 64.35 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 5.22 2.82 -0.42 -0.43 0.00 -1.91 0.48 119.26 125.03 1a5e h ALA 57 Ca 0.19 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1a5e h ALA 57 Cb 0.94 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1a5e h ALA 57 CO 0.32 -1.12 0.29 0.00 0.00 0.00 0.00 179.25 178.73 1a5e h ARG 58 N 0.00 0.17 0.43 0.00 -0.00 -1.93 -1.74 114.38 111.32 1a5e h ARG 58 Ca 0.42 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.87 1a5e h ARG 58 Cb 1.75 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.68 1a5e h ARG 58 CO -0.00 0.11 -0.25 0.28 0.00 0.00 0.00 179.97 180.11 1a5e h VAL 59 N 0.18 0.00 -1.00 2.04 2.07 -0.40 -2.61 116.25 116.53 1a5e h VAL 59 Ca 0.19 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 1a5e h VAL 59 Cb 0.53 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.20 1a5e h VAL 59 CO -0.03 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.17 1a5e h ALA 60 N -1.59 1.78 -0.96 1.67 0.00 -1.59 0.25 119.26 118.83 1a5e h ALA 60 Ca -0.06 0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 60 Cb 0.50 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1a5e h ALA 60 CO 0.07 -0.17 0.61 1.49 0.00 0.00 0.00 179.25 181.26 1a5e h GLU 61 N 0.68 0.53 0.08 0.00 4.81 -0.97 1.32 114.58 121.04 1a5e h GLU 61 Ca 0.58 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 59.46 1a5e h GLU 61 Cb 1.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1a5e h GLU 61 CO -0.37 0.35 -1.71 1.25 -0.73 0.00 0.00 179.01 177.80 1a5e h LEU 62 N 0.54 0.27 0.46 1.64 5.85 -0.36 -2.98 115.31 120.73 1a5e h LEU 62 Ca 0.52 -0.79 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1a5e h LEU 62 Cb 1.11 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1a5e h LEU 62 CO -0.26 1.72 -0.22 -0.07 -0.34 0.00 0.00 178.44 179.27 1a5e h LEU 63 N -0.33 -0.53 -0.30 2.25 3.38 0.02 -1.89 115.31 117.92 1a5e h LEU 63 Ca -0.39 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1a5e h LEU 63 Cb 1.76 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 1a5e h LEU 63 CO -0.02 -0.24 0.17 0.25 0.09 0.00 0.00 178.44 178.68 1a5e h LEU 64 N -0.81 0.27 -1.98 1.67 6.46 0.15 0.88 115.31 121.95 1a5e h LEU 64 Ca -0.06 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.88 1a5e h LEU 64 Cb 0.56 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1a5e h LEU 64 CO 0.10 0.20 0.51 0.25 -0.62 0.00 0.00 178.44 178.88 1a5e h LEU 65 N 0.35 0.00 0.07 2.25 5.85 -1.47 -1.56 115.31 120.80 1a5e h LEU 65 Ca 0.12 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.47 1a5e h LEU 65 Cb 0.01 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1a5e h LEU 65 CO -0.06 0.00 -2.09 1.41 -0.34 0.00 0.00 178.44 177.36 1a5e n HIS 66 N -4.07 0.84 0.00 1.25 8.25 -0.19 -4.99 115.22 116.30 1a5e n HIS 66 Ca 0.12 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1a5e n HIS 66 Cb 0.75 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1a5e n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5e n GLY 67 N 1.98 0.00 0.00 -1.41 0.00 0.28 -4.99 105.19 101.06 1a5e n GLY 67 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.73 4.61 0.00 0.10 -4.28 120.51 118.22 1a5e n ALA 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1a5e n ALA 68 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1a5e n ALA 68 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a5e n GLU 69 N 0.00 3.52 0.15 0.00 0.28 -1.26 -4.77 120.64 118.55 1a5e n GLU 69 Ca 0.00 -4.68 0.12 0.00 -0.16 0.00 0.00 57.16 52.45 1a5e n GLU 69 Cb 0.00 -2.27 0.53 0.00 1.43 0.00 0.00 31.44 31.13 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1a5e h PRO 70 N 3.01 0.00 0.00 3.44 0.13 -1.91 -3.38 132.00 133.29 1a5e h PRO 70 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1a5e h PRO 70 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1a5e h PRO 70 CO 0.90 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1a5e n ASN 71 N -2.30 0.00 -4.39 1.44 5.03 -1.26 -3.43 115.26 110.35 1a5e n ASN 71 Ca 0.01 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.04 1a5e n ASN 71 Cb 0.20 -0.05 -0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5e n ALA 73 N -0.76 0.00 -2.81 0.00 0.00 -1.26 -4.69 120.51 111.00 1a5e n ALA 73 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1a5e n ALA 73 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 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 0.56 0.00 1.11 -1.12 -4.91 116.67 117.57 1a5e s ASP 74 Ca 0.00 -0.20 0.34 0.00 0.18 0.00 0.00 52.55 52.87 1a5e s ASP 74 Cb 0.00 -1.36 1.44 0.00 1.07 0.00 0.00 42.92 44.07 1a5e s ASP 74 CO 0.00 0.25 2.01 1.55 1.18 0.00 0.00 175.17 180.16 1a5e h PRO 75 N 6.08 0.00 0.00 8.23 0.13 -1.94 0.47 132.00 144.97 1a5e h PRO 75 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1a5e h PRO 75 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a5e h PRO 75 CO 0.55 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 1a5e n ALA 76 N -2.08 -0.17 -1.96 -0.56 0.00 -1.26 -4.21 120.51 110.27 1a5e n ALA 76 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1a5e n ALA 76 Cb 0.29 0.04 0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.17 2.21 -3.16 0.00 -2.24 -1.25 -4.93 114.28 103.75 1a5e n THR 77 Ca 0.00 -3.65 -0.20 0.00 -2.27 0.00 0.00 64.05 57.93 1a5e n THR 77 Cb 0.00 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 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 -0.79 -1.25 -4.56 3.22 4.77 0.17 -1.83 117.00 116.73 1a5e n LEU 78 Ca 0.31 -0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.68 1a5e n LEU 78 Cb 0.87 -1.96 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1a5e n LEU 78 CO 0.21 0.08 1.83 -0.89 -1.33 0.00 0.00 177.39 177.29 1a5e s THR 79 N -2.78 3.16 0.77 -5.08 2.01 -1.21 -4.42 115.64 108.09 1a5e s THR 79 Ca 0.30 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 1a5e s THR 79 Cb -0.16 -3.37 0.10 0.00 0.01 0.00 0.00 72.50 69.08 1a5e s THR 79 CO 0.37 -0.34 1.08 -0.13 -0.69 0.00 0.00 174.62 174.91 1a5e s ARG 80 N 7.49 1.76 0.08 4.92 0.52 -1.26 -2.81 118.95 129.64 1a5e s ARG 80 Ca 0.86 -0.44 0.25 0.00 -0.52 0.00 0.00 55.73 55.88 1a5e s ARG 80 Cb -0.17 -2.13 1.01 0.00 0.52 0.00 0.00 34.95 34.18 1a5e s ARG 80 CO 0.26 -1.54 1.80 -0.35 0.02 0.00 0.00 175.30 175.48 1a5e n PRO 81 N -3.10 0.08 0.16 3.54 -0.04 -1.26 -3.20 135.00 131.18 1a5e n PRO 81 Ca 0.11 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1a5e n PRO 81 Cb 0.60 -1.61 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.36 -0.05 0.52 2.07 -1.89 -3.04 116.25 115.22 1a5e h VAL 82 Ca 0.00 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 1a5e h VAL 82 Cb 0.51 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1a5e h VAL 82 CO 0.00 0.49 -0.22 0.45 0.02 0.00 0.00 177.57 178.30 1a5e h HIS 83 N 0.01 0.33 -0.75 1.57 3.86 -1.90 -3.11 115.15 115.16 1a5e h HIS 83 Ca -0.00 -0.14 0.17 0.00 -1.16 0.00 0.00 60.37 59.24 1a5e h HIS 83 Cb 0.88 -0.05 -0.12 0.00 1.06 0.00 0.00 27.41 29.17 1a5e h HIS 83 CO 0.00 0.85 0.07 -0.44 0.86 0.00 0.00 177.93 179.26 1a5e h ASP 84 N -0.29 -0.23 1.01 2.45 3.32 -1.67 1.39 116.42 122.41 1a5e h ASP 84 Ca -0.01 0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1a5e h ASP 84 Cb 0.87 0.30 0.01 0.00 0.22 0.00 0.00 39.33 40.72 1a5e h ASP 84 CO 0.05 -0.14 -0.49 0.00 -1.72 0.00 0.00 179.24 176.94 1a5e h ALA 85 N 1.68 -1.36 0.15 3.45 0.00 -1.56 -2.80 119.26 118.82 1a5e h ALA 85 Ca 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a5e h ALA 85 Cb 0.74 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a5e h ALA 85 CO -0.61 -1.26 -0.07 0.00 0.00 0.00 0.00 179.25 177.31 1a5e h ALA 86 N -1.36 -0.20 -1.77 0.00 0.00 -1.29 -0.24 119.26 114.40 1a5e h ALA 86 Ca -0.14 -0.07 0.52 0.00 0.00 0.00 0.00 54.91 55.22 1a5e h ALA 86 Cb 1.04 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1a5e h ALA 86 CO 0.23 -0.58 1.26 -0.09 0.00 0.00 0.00 179.25 180.07 1a5e h ARG 87 N -0.25 0.01 0.00 0.00 9.65 0.19 0.92 114.38 124.89 1a5e h ARG 87 Ca -0.02 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1a5e h ARG 87 Cb 0.20 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1a5e h ARG 87 CO 0.03 0.00 -1.78 -1.91 2.80 0.00 0.00 179.97 179.11 1a5e n GLU 88 N -4.05 0.61 -0.77 0.20 0.00 -0.95 -4.98 120.64 110.70 1a5e n GLU 88 Ca 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1a5e n GLU 88 Cb 1.82 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 31.80 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 1.40 0.82 3.37 8.31 0.00 0.32 -5.01 105.19 114.39 1a5e n GLY 89 Ca -0.03 -0.57 -0.45 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 -2.00 3.82 0.30 1.61 2.19 -0.46 -4.85 117.98 118.60 1a5e s PHE 90 Ca 0.00 -2.19 -0.01 0.00 0.33 0.00 0.00 56.93 55.07 1a5e s PHE 90 Cb 0.00 -3.96 0.48 0.00 -1.31 0.00 0.00 43.02 38.22 1a5e s PHE 90 CO 0.00 -1.11 1.94 -0.07 1.83 0.00 0.00 175.22 177.82 1a5e h LEU 91 N 8.03 0.93 -1.30 6.12 3.38 -1.93 -1.47 115.31 129.07 1a5e h LEU 91 Ca 0.17 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.35 1a5e h LEU 91 Cb 0.95 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 1a5e h LEU 91 CO 0.97 0.64 0.63 0.44 0.09 0.00 0.00 178.44 181.21 1a5e h ASP 92 N 1.09 0.54 -0.17 -0.43 3.32 -1.97 0.15 116.42 118.94 1a5e h ASP 92 Ca 0.34 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 1a5e h ASP 92 Cb 0.01 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1a5e h ASP 92 CO -0.10 0.17 0.07 0.74 -1.72 0.00 0.00 179.24 178.40 1a5e h THR 93 N 0.51 1.15 -0.61 0.35 2.02 -1.57 -2.38 112.91 112.38 1a5e h THR 93 Ca 0.55 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1a5e h THR 93 Cb 1.21 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1a5e h THR 93 CO -0.28 0.14 0.37 -0.07 0.37 0.00 0.00 175.52 176.05 1a5e h LEU 94 N 0.12 0.73 -0.59 2.58 4.07 -0.80 -1.83 115.31 119.60 1a5e h LEU 94 Ca 0.06 -0.06 0.12 0.00 0.08 0.00 0.00 57.88 58.08 1a5e h LEU 94 Cb 0.16 -0.18 -0.09 0.00 1.08 0.00 0.00 40.66 41.62 1a5e h LEU 94 CO -0.01 0.58 0.05 0.58 -1.08 0.00 0.00 178.44 178.56 1a5e h VAL 95 N 0.83 0.57 -0.19 1.22 2.07 -0.75 0.23 116.25 120.23 1a5e h VAL 95 Ca 0.22 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1a5e h VAL 95 Cb -0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1a5e h VAL 95 CO -0.04 0.03 0.13 0.58 0.02 0.00 0.00 177.57 178.29 1a5e h VAL 96 N 0.17 1.05 -0.93 2.57 2.07 -0.92 1.20 116.25 121.46 1a5e h VAL 96 Ca 0.31 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.85 1a5e h VAL 96 Cb 0.48 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1a5e h VAL 96 CO -0.46 0.05 0.57 -0.07 0.02 0.00 0.00 177.57 177.68 1a5e h LEU 97 N 0.26 0.84 0.07 2.57 4.07 -0.12 -1.76 115.31 121.24 1a5e h LEU 97 Ca 0.07 0.05 -0.27 0.00 0.08 0.00 0.00 57.88 57.81 1a5e h LEU 97 Cb -0.03 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 1a5e h LEU 97 CO -0.01 0.46 -1.34 -0.74 -1.08 0.00 0.00 178.44 175.73 1a5e h HIS 98 N 0.93 0.27 0.00 1.13 2.76 -0.07 0.61 115.15 120.77 1a5e h HIS 98 Ca 0.45 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1a5e h HIS 98 Cb 0.42 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1a5e h HIS 98 CO -0.03 1.20 0.00 -2.13 -1.30 0.00 0.00 177.93 175.67 1a5e n ARG 99 N -3.38 0.08 0.00 5.26 0.63 0.41 -4.34 116.66 115.32 1a5e n ARG 99 Ca -0.10 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1a5e n ARG 99 Cb 1.01 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 32.23 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 -1.63 1.77 -2.67 5.13 0.00 -0.73 -5.04 120.51 117.34 1a5e n ALA 100 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1a5e n ALA 100 Cb 0.12 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.64 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 4.20 -0.91 3.49 0.00 0.00 -1.00 -5.10 105.19 105.87 1a5e n GLY 101 Ca 0.00 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 0.06 3.21 0.99 4.61 0.00 0.21 -4.66 121.76 126.17 1a5e s ALA 102 Ca 0.15 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 1a5e s ALA 102 Cb 0.22 -2.02 0.10 0.00 0.00 0.00 0.00 23.12 21.41 1a5e s ALA 102 CO -0.12 -0.31 0.58 -2.13 0.00 0.00 0.00 175.76 173.78 1a5e n ARG 103 N 4.56 -0.71 -2.22 0.00 0.63 -1.22 -4.61 116.66 113.09 1a5e n ARG 103 Ca -0.16 -0.16 -0.01 0.00 -0.92 0.00 0.00 57.85 56.59 1a5e n ARG 103 Cb 0.52 -1.99 0.05 0.00 0.45 0.00 0.00 32.46 31.49 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 -2.41 0.09 -2.75 6.15 4.77 -1.26 -4.79 117.00 116.81 1a5e n LEU 104 Ca 0.07 -2.72 -0.01 0.00 -0.03 0.00 0.00 56.01 53.32 1a5e n LEU 104 Cb 0.54 0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.91 1a5e n LEU 104 CO 0.51 1.22 0.33 -0.67 -1.33 0.00 0.00 177.39 177.45 1a5e n ASP 105 N -0.59 -0.07 -4.01 -1.43 -0.08 -1.26 -3.77 116.55 105.35 1a5e n ASP 105 Ca -0.07 -2.15 -0.14 0.00 -1.51 0.00 0.00 54.79 50.91 1a5e n ASP 105 Cb 0.87 0.15 0.06 0.00 2.34 0.00 0.00 41.12 44.54 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1a5e n VAL 106 N -1.06 0.00 -4.30 5.18 3.14 -1.26 -5.12 118.33 114.91 1a5e n VAL 106 Ca -0.06 -1.30 -0.20 0.00 -2.96 0.00 0.00 64.34 59.83 1a5e n VAL 106 Cb 0.84 -0.76 -0.13 0.00 -1.06 0.00 0.00 33.84 32.73 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 -3.99 0.90 -0.04 1.45 0.52 -1.26 -4.57 118.95 111.95 1a5e s ARG 107 Ca 0.44 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1a5e s ARG 107 Cb -0.03 -0.91 -0.19 0.00 0.52 0.00 0.00 34.95 34.33 1a5e s ARG 107 CO 0.28 0.22 2.76 -0.40 0.02 0.00 0.00 175.30 178.19 1a5e n ASP 108 N 1.72 3.90 0.00 0.23 5.75 -1.21 -4.53 116.55 122.41 1a5e n ASP 108 Ca -0.19 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1a5e n ASP 108 Cb 0.55 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a5e n ALA 109 N 2.69 0.00 -0.07 2.12 0.00 -0.76 -4.24 120.51 120.24 1a5e n ALA 109 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 1a5e n ALA 109 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.93 0.00 0.00 -0.00 -1.86 -3.46 115.95 109.70 1a5e h TRP 110 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1a5e h TRP 110 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 1a5e h TRP 110 CO 0.00 -0.40 0.00 0.41 -0.00 0.00 0.00 178.44 178.45 1a5e n GLY 111 N -1.41 0.59 1.35 1.49 0.00 -1.26 -5.10 105.19 100.85 1a5e n GLY 111 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1a5e n GLY 111 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 112 N 0.00 -3.12 -4.28 1.61 0.63 -1.26 -4.76 116.66 105.48 1a5e n ARG 112 Ca 0.00 -0.63 -0.17 0.00 -0.92 0.00 0.00 57.85 56.13 1a5e n ARG 112 Cb 0.00 -0.79 -0.09 0.00 0.45 0.00 0.00 32.46 32.03 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1a5e s LEU 113 N 0.00 1.58 -0.03 6.15 1.02 -1.26 -3.34 118.68 122.80 1a5e s LEU 113 Ca 0.28 -1.60 -0.24 0.00 0.02 0.00 0.00 54.13 52.59 1a5e s LEU 113 Cb -0.05 0.39 -0.21 0.00 0.02 0.00 0.00 46.19 46.34 1a5e s LEU 113 CO 0.24 -0.95 1.14 1.55 0.02 0.00 0.00 176.35 178.34 1a5e h PRO 114 N 2.27 0.19 -0.69 1.29 0.13 -1.92 -2.46 132.00 130.82 1a5e h PRO 114 Ca -0.31 -0.16 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 1a5e h PRO 114 Cb 1.24 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1a5e h PRO 114 CO 0.46 0.81 0.47 -0.24 -0.23 0.00 0.00 178.00 179.27 1a5e h VAL 115 N -0.38 0.78 -0.18 1.56 3.04 -1.90 0.21 116.25 119.38 1a5e h VAL 115 Ca -0.01 -0.10 -0.19 0.00 -1.01 0.00 0.00 66.70 65.39 1a5e h VAL 115 Cb 0.85 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1a5e h VAL 115 CO 0.04 0.05 -0.65 -0.78 -1.01 0.00 0.00 177.57 175.23 1a5e h ASP 116 N 0.30 0.75 0.44 3.17 1.82 -1.91 -2.77 116.42 118.23 1a5e h ASP 116 Ca 0.33 -0.44 -0.11 0.00 -0.39 0.00 0.00 57.03 56.42 1a5e h ASP 116 Cb 0.89 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 1a5e h ASP 116 CO -0.08 1.21 -0.51 -0.07 -1.61 0.00 0.00 179.24 178.18 1a5e h LEU 117 N 0.48 0.08 0.18 2.28 3.38 -0.19 -2.19 115.31 119.33 1a5e h LEU 117 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a5e h LEU 117 Cb 1.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1a5e h LEU 117 CO 0.13 0.57 -0.09 0.00 0.09 0.00 0.00 178.44 179.14 1a5e h ALA 118 N 1.43 -0.25 0.00 1.53 0.00 -0.92 -2.60 119.26 118.45 1a5e h ALA 118 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 118 Cb 0.92 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a5e h ALA 118 CO 0.07 -0.40 0.00 1.49 0.00 0.00 0.00 179.25 180.40 1a5e h GLU 119 N -0.72 0.00 0.17 0.00 4.22 -1.51 0.81 114.58 117.56 1a5e h GLU 119 Ca -0.03 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.11 1a5e h GLU 119 Cb 0.50 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.78 1a5e h GLU 119 CO 0.04 0.00 -1.33 1.49 -2.18 0.00 0.00 179.01 177.03 1a5e h GLU 120 N 0.00 0.49 -0.08 1.92 4.22 -1.19 -3.27 114.58 116.66 1a5e h GLU 120 Ca 0.00 -0.76 0.00 0.00 0.08 0.00 0.00 59.36 58.68 1a5e h GLU 120 Cb 0.22 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1a5e h GLU 120 CO 0.00 1.35 0.00 1.28 -2.18 0.00 0.00 179.01 179.46 1a5e n LEU 121 N -3.69 1.92 0.00 1.64 4.77 -0.96 -4.91 117.00 115.77 1a5e n LEU 121 Ca -0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1a5e n LEU 121 Cb 1.04 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1a5e n LEU 121 CO 0.58 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1a5e n GLY 122 N 1.22 1.32 2.54 -0.72 0.00 -0.87 -4.98 105.19 103.69 1a5e n GLY 122 Ca 0.18 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.91 2.42 -0.37 1.61 8.25 0.28 -4.71 115.22 120.79 1a5e n HIS 123 Ca 0.00 -2.30 0.29 0.00 -0.26 0.00 0.00 57.72 55.45 1a5e n HIS 123 Cb 0.07 -1.27 0.56 0.00 1.12 0.00 0.00 29.99 30.47 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 2.60 0.20 -0.68 -0.41 0.11 -1.90 1.40 114.38 115.71 1a5e h ARG 124 Ca 0.49 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.50 1a5e h ARG 124 Cb 0.51 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.51 1a5e h ARG 124 CO 1.21 0.14 0.20 0.38 0.10 0.00 0.00 179.97 181.99 1a5e h ASP 125 N 0.21 1.01 0.20 0.08 2.03 -1.95 0.51 116.42 118.51 1a5e h ASP 125 Ca 0.76 -0.22 -0.33 0.00 -0.73 0.00 0.00 57.03 56.52 1a5e h ASP 125 Cb 2.04 -0.26 0.02 0.00 -0.83 0.00 0.00 39.33 40.30 1a5e h ASP 125 CO -0.52 0.96 -1.54 0.58 -1.03 0.00 0.00 179.24 177.69 1a5e h VAL 126 N 1.01 1.13 0.22 4.15 2.07 0.39 -3.19 116.25 122.03 1a5e h VAL 126 Ca 0.22 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1a5e h VAL 126 Cb 0.33 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1a5e h VAL 126 CO -0.00 0.81 -0.21 0.00 0.02 0.00 0.00 177.57 178.19 1a5e h ALA 127 N 0.11 -0.44 0.30 1.67 0.00 0.15 0.71 119.26 121.74 1a5e h ALA 127 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a5e h ALA 127 Cb 2.06 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 20.12 1a5e h ALA 127 CO 0.20 -0.78 -0.51 0.00 0.00 0.00 0.00 179.25 178.16 1a5e h ARG 128 N -0.47 -0.84 -1.00 0.00 3.08 -1.03 0.22 114.38 114.34 1a5e h ARG 128 Ca -0.00 0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1a5e h ARG 128 Cb 0.43 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 1a5e h ARG 128 CO -0.05 -0.56 0.66 -0.92 -1.07 0.00 0.00 179.97 178.03 1a5e h TYR 129 N -0.87 1.24 -0.07 3.04 3.20 -1.52 -0.57 116.97 121.43 1a5e h TYR 129 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1a5e h TYR 129 Cb 0.81 -0.42 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1a5e h TYR 129 CO -0.36 0.75 0.04 -0.07 -1.64 0.00 0.00 178.16 176.88 1a5e h LEU 130 N 1.31 0.08 -0.76 2.82 3.38 0.13 0.82 115.31 123.08 1a5e h LEU 130 Ca 0.38 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 1a5e h LEU 130 Cb -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1a5e h LEU 130 CO -0.10 0.06 -0.23 -0.09 0.09 0.00 0.00 178.44 178.17 1a5e h ARG 131 N 0.09 0.70 0.15 1.13 9.65 0.11 1.21 114.38 127.42 1a5e h ARG 131 Ca 0.02 -0.27 -0.29 0.00 -1.10 0.00 0.00 59.98 58.34 1a5e h ARG 131 Cb -0.01 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1a5e h ARG 131 CO -0.00 0.86 -1.30 0.00 2.80 0.00 0.00 179.97 182.33 1a5e h ALA 132 N 1.14 0.05 0.04 2.80 0.00 -1.03 -1.63 119.26 120.63 1a5e h ALA 132 Ca 0.09 -0.89 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 1a5e h ALA 132 Cb 0.71 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1a5e h ALA 132 CO 0.05 0.93 -1.41 0.00 0.00 0.00 0.00 179.25 178.82 1a5e h ALA 133 N 0.50 0.46 -0.53 0.00 0.00 -0.81 -3.30 119.26 115.57 1a5e h ALA 133 Ca -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1a5e h ALA 133 Cb 2.01 0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1a5e h ALA 133 CO 0.22 1.32 0.00 0.00 0.00 0.00 0.00 179.25 180.78 1a5e n ALA 134 N -2.53 3.58 -2.71 0.00 0.00 0.42 -4.79 120.51 114.48 1a5e n ALA 134 Ca -0.11 -1.93 -0.39 0.00 0.00 0.00 0.00 53.44 51.02 1a5e n ALA 134 Cb 1.01 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1a5e n ALA 134 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a5e s GLY 135 N -1.01 2.40 0.00 0.00 0.00 -0.61 -4.83 107.32 103.27 1a5e s GLY 135 Ca 0.52 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 45.16 1a5e s GLY 135 CO 0.16 0.97 0.84 0.61 0.00 0.00 0.00 173.10 175.68 1a5e n GLY 136 N 3.32 0.76 3.65 0.20 0.00 -1.26 -4.99 105.19 106.87 1a5e n GLY 136 Ca -0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.09 -1.19 2.61 -4.23 -1.26 -4.85 115.64 109.80 1a5e s THR 137 Ca 0.05 0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.47 1a5e s THR 137 Cb 0.06 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 1a5e s THR 137 CO -0.02 -0.02 1.95 0.54 -0.54 0.00 0.00 174.62 176.53 1a5e n ARG 138 N 7.70 2.36 0.00 3.99 1.74 -1.26 -4.88 116.66 126.31 1a5e n ARG 138 Ca 0.21 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 1a5e n ARG 138 Cb 0.42 -3.36 0.00 0.00 -1.02 0.00 0.00 32.46 28.50 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 4.94 1.95 2.76 -0.13 0.00 -1.26 -4.54 105.19 108.91 1a5e n GLY 139 Ca 0.49 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1a5e n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5e s SER 140 N -4.00 1.39 0.06 1.61 1.04 -1.26 -4.94 113.70 107.60 1a5e s SER 140 Ca 0.00 -1.14 -0.27 0.00 0.48 0.00 0.00 55.95 55.03 1a5e s SER 140 Cb 0.00 0.55 -0.13 0.00 0.10 0.00 0.00 66.02 66.54 1a5e s SER 140 CO 0.00 -0.33 1.41 -1.13 0.98 0.00 0.00 173.24 174.17 1a5e h ASN 141 N 7.68 -0.98 0.00 7.02 -1.24 -2.03 -3.44 115.58 122.60 1a5e h ASN 141 Ca -0.04 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1a5e h ASN 141 Cb 1.07 0.31 0.00 0.00 0.73 0.00 0.00 38.32 40.42 1a5e h ASN 141 CO 0.27 -0.52 -0.15 1.57 -1.29 0.00 0.00 177.43 177.31 1a5e n HIS 142 N -4.65 -0.77 -3.44 0.67 -0.00 -1.26 -5.06 115.22 100.70 1a5e n HIS 142 Ca -0.10 0.14 -0.16 0.00 0.46 0.00 0.00 57.72 58.06 1a5e n HIS 142 Cb 0.35 0.22 -0.11 0.00 -0.12 0.00 0.00 29.99 30.33 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a5e s ALA 143 N -2.00 -0.52 -0.06 1.57 0.00 -1.26 -5.11 121.76 114.37 1a5e s ALA 143 Ca 0.00 0.39 -0.38 0.00 0.00 0.00 0.00 51.96 51.97 1a5e s ALA 143 Cb 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 23.12 21.49 1a5e s ALA 143 CO 0.00 -1.27 1.52 -2.13 0.00 0.00 0.00 175.76 173.88 1a5e n ARG 144 N 5.33 1.18 -1.35 0.00 0.63 -1.26 -4.52 116.66 116.68 1a5e n ARG 144 Ca -0.05 0.43 0.16 0.00 -0.92 0.00 0.00 57.85 57.47 1a5e n ARG 144 Cb 0.49 -2.10 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 1a5e n ARG 144 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1a5e n ILE 145 N 3.42 -0.51 0.00 5.15 5.41 -1.26 -5.02 119.36 126.56 1a5e n ILE 145 Ca 0.22 0.68 0.00 0.00 1.00 0.00 0.00 62.75 64.65 1a5e n ILE 145 Cb 0.17 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 1a5e n ILE 145 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1a5e n ASP 146 N -4.25 0.00 -4.54 4.38 8.00 -1.26 -5.09 116.55 113.79 1a5e n ASP 146 Ca -0.06 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.07 1a5e n ASP 146 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5e n ALA 147 N 0.00 0.65 -1.69 2.24 0.00 -1.26 -4.86 120.51 115.59 1a5e n ALA 147 Ca 0.00 -0.79 -0.44 0.00 0.00 0.00 0.00 53.44 52.21 1a5e n ALA 147 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 19.45 16.44 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 14.57 2.02 -1.68 0.00 0.00 -1.26 -4.91 120.51 129.26 1a5e n ALA 148 Ca 0.45 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.94 1a5e n ALA 148 Cb 0.41 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.49 1a5e n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5e n GLU 149 N 3.59 1.12 -0.39 0.00 4.71 -1.26 -4.69 120.64 123.72 1a5e n GLU 149 Ca 0.16 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.74 1a5e n GLU 149 Cb 0.32 -2.36 0.00 0.00 -1.01 0.00 0.00 31.44 28.39 1a5e n GLU 149 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a5e n GLY 150 N 1.07 -3.26 3.74 0.62 0.00 -1.26 -4.87 105.19 101.22 1a5e n GLY 150 Ca 0.14 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1a5e n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5e s PRO 151 N -4.93 4.45 -0.02 1.61 0.04 -1.26 -4.93 135.00 129.96 1a5e s PRO 151 Ca 0.00 1.95 0.10 0.00 0.04 0.00 0.00 61.00 63.09 1a5e s PRO 151 Cb 0.00 -3.22 -0.15 0.00 0.04 0.00 0.00 34.50 31.18 1a5e s PRO 151 CO 0.00 -0.15 0.20 0.43 0.04 0.00 0.00 177.00 177.51 1a5e n SER 152 N 2.49 2.80 -4.40 6.66 7.64 -1.26 -5.03 113.62 122.52 1a5e n SER 152 Ca 0.05 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.59 1a5e n SER 152 Cb 0.44 1.38 0.10 0.00 -1.01 0.00 0.00 64.21 65.11 1a5e n SER 152 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a5e n ASP 153 N -1.88 -2.08 -4.13 6.43 2.03 -1.26 -4.93 116.55 110.73 1a5e n ASP 153 Ca -0.03 0.40 -0.38 0.00 0.52 0.00 0.00 54.79 55.31 1a5e n ASP 153 Cb 0.30 -1.18 -0.08 0.00 -0.72 0.00 0.00 41.12 39.44 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 -2.21 4.09 -0.29 5.18 1.01 -1.26 -5.04 121.20 122.68 1a5e s ILE 154 Ca 0.58 -3.02 -0.29 0.00 0.00 0.00 0.00 60.65 57.92 1a5e s ILE 154 Cb -0.25 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1a5e s ILE 154 CO 0.65 -0.93 1.47 -2.16 0.00 0.00 0.00 174.94 173.98 1a5e s PRO 155 N -0.22 3.77 0.00 2.79 0.04 -1.26 -5.28 135.00 134.84 1a5e s PRO 155 Ca 0.19 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1a5e s PRO 155 Cb -0.17 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1a5e s PRO 155 CO -0.05 -1.32 0.00 -0.25 0.04 0.00 0.00 177.00 175.42