#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 2.99 -0.28 0.03 2.02 -1.26 -4.97 118.70 117.24 1a5e s GLU 2 Ca 0.00 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.26 1a5e s GLU 2 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1a5e s GLU 2 CO 0.00 -0.96 1.61 -1.25 0.02 0.00 0.00 175.26 174.68 1a5e s PRO 3 N -5.29 3.66 0.92 0.39 0.04 -1.26 -5.00 135.00 128.46 1a5e s PRO 3 Ca 0.58 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 1a5e s PRO 3 Cb -0.11 -4.06 0.23 0.00 0.04 0.00 0.00 34.50 30.60 1a5e s PRO 3 CO 0.53 -1.45 0.78 0.00 0.04 0.00 0.00 177.00 176.89 1a5e n ALA 4 N 8.87 -2.67 0.07 8.56 0.00 -1.26 -4.97 120.51 129.12 1a5e n ALA 4 Ca 0.19 -1.18 -0.21 0.00 0.00 0.00 0.00 53.44 52.24 1a5e n ALA 4 Cb 0.46 -0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e h ALA 5 N -2.62 -0.08 0.00 0.00 0.00 -2.07 -3.50 119.26 110.98 1a5e h ALA 5 Ca -0.30 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1a5e h ALA 5 Cb 0.92 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a5e h ALA 5 CO 0.19 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1a5e n GLY 6 N 1.58 0.56 5.78 0.00 0.00 -1.26 -5.13 105.19 106.72 1a5e n GLY 6 Ca -0.14 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.70 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 -4.77 -3.48 1.61 2.88 -1.26 -4.93 113.62 103.67 1a5e n SER 7 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1a5e n SER 7 Cb 0.00 -0.69 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 1a5e n SER 7 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1a5e s SER 8 N -4.32 -0.67 0.55 -3.46 1.04 -1.26 -5.01 113.70 100.58 1a5e s SER 8 Ca 0.00 0.94 0.38 0.00 0.48 0.00 0.00 55.95 57.74 1a5e s SER 8 Cb 0.00 1.70 1.54 0.00 0.10 0.00 0.00 66.02 69.36 1a5e s SER 8 CO 0.00 -0.13 1.74 0.24 0.98 0.00 0.00 173.24 176.07 1a5e h MET 9 N 7.40 0.00 -2.95 4.02 2.86 -2.08 -3.40 114.93 120.77 1a5e h MET 9 Ca -0.18 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.33 1a5e h MET 9 Cb 1.12 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.56 1a5e h MET 9 CO 0.10 0.00 -0.29 -1.83 1.06 0.00 0.00 176.91 175.95 1a5e s GLU 10 N -4.87 0.52 -1.15 1.72 1.03 -1.26 -5.08 118.70 109.62 1a5e s GLU 10 Ca -0.05 0.19 -0.21 0.00 0.03 0.00 0.00 54.97 54.93 1a5e s GLU 10 Cb 0.22 0.24 0.01 0.00 -0.80 0.00 0.00 34.13 33.80 1a5e s GLU 10 CO 0.78 -0.11 1.75 -1.25 -1.33 0.00 0.00 175.26 175.10 1a5e s PRO 11 N -0.48 3.31 -0.01 -4.83 0.04 -1.26 -4.73 135.00 127.04 1a5e s PRO 11 Ca -0.06 -1.33 -0.01 0.00 0.04 0.00 0.00 61.00 59.64 1a5e s PRO 11 Cb -0.04 -5.35 -0.00 0.00 0.04 0.00 0.00 34.50 29.15 1a5e s PRO 11 CO 0.02 -2.85 -0.02 0.45 0.04 0.00 0.00 177.00 174.65 1a5e n SER 12 N 10.84 0.11 -2.27 6.66 2.88 -1.26 -4.94 113.62 125.64 1a5e n SER 12 Ca 0.43 0.06 -0.12 0.00 -1.33 0.00 0.00 58.87 57.91 1a5e n SER 12 Cb 0.47 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.57 -0.69 -0.94 -1.46 0.00 -1.26 -4.76 120.51 108.82 1a5e n ALA 13 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.54 1a5e n ALA 13 Cb 0.03 -1.44 0.35 0.00 0.00 0.00 0.00 19.45 18.39 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a5e n ASP 14 N -1.57 5.23 0.10 0.00 8.00 -1.26 -3.27 116.55 123.78 1a5e n ASP 14 Ca -0.14 -3.07 -0.05 0.00 0.71 0.00 0.00 54.79 52.25 1a5e n ASP 14 Cb 0.57 -0.72 0.11 0.00 -0.02 0.00 0.00 41.12 41.06 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1a5e h TRP 15 N 3.26 0.20 -0.80 1.24 4.06 -1.95 -3.09 115.95 118.87 1a5e h TRP 15 Ca 0.14 -0.08 0.18 0.00 2.06 0.00 0.00 58.89 61.19 1a5e h TRP 15 Cb 2.17 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 30.25 1a5e h TRP 15 CO 1.20 0.77 0.54 1.37 -3.56 0.00 0.00 178.44 178.76 1a5e h LEU 16 N 0.11 0.30 0.03 -4.49 -0.00 -1.90 -1.91 115.31 107.44 1a5e h LEU 16 Ca -0.01 0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.76 1a5e h LEU 16 Cb 1.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 1a5e h LEU 16 CO 0.10 0.14 -0.68 0.00 -0.00 0.00 0.00 178.44 178.00 1a5e h ALA 17 N 1.63 0.10 -0.42 0.17 0.00 -1.88 -2.93 119.26 115.93 1a5e h ALA 17 Ca 0.40 -0.83 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1a5e h ALA 17 Cb 1.10 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 1a5e h ALA 17 CO -0.11 0.38 -0.20 1.15 0.00 0.00 0.00 179.25 180.46 1a5e h THR 18 N -0.83 0.40 -0.60 0.00 2.02 -1.40 0.21 112.91 112.71 1a5e h THR 18 Ca -0.17 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 1a5e h THR 18 Cb 1.27 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1a5e h THR 18 CO -0.04 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.88 1a5e h ALA 19 N 1.16 0.81 0.04 6.16 0.00 -1.52 -2.53 119.26 123.38 1a5e h ALA 19 Ca 0.20 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1a5e h ALA 19 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1a5e h ALA 19 CO -0.49 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.23 1a5e h ALA 20 N 0.99 -0.21 -0.25 0.00 0.00 -0.96 -0.87 119.26 117.97 1a5e h ALA 20 Ca 0.17 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1a5e h ALA 20 Cb 0.52 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1a5e h ALA 20 CO 0.02 -0.66 0.19 0.00 0.00 0.00 0.00 179.25 178.81 1a5e h ALA 21 N 0.63 2.19 -0.48 0.00 0.00 0.49 -0.01 119.26 122.09 1a5e h ALA 21 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1a5e h ALA 21 Cb 0.31 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1a5e h ALA 21 CO -0.12 -0.32 0.14 0.54 0.00 0.00 0.00 179.25 179.49 1a5e n ARG 22 N -4.37 3.07 -3.61 0.00 5.12 -0.46 -3.54 116.66 112.88 1a5e n ARG 22 Ca 0.03 -2.09 -0.28 0.00 -1.93 0.00 0.00 57.85 53.58 1a5e n ARG 22 Cb 0.34 -1.95 0.04 0.00 -1.16 0.00 0.00 32.46 29.73 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a5e n GLY 23 N 0.10 -1.05 2.55 -0.13 0.00 -0.03 -4.93 105.19 101.70 1a5e n GLY 23 Ca 0.26 0.48 -0.19 0.00 0.00 0.00 0.00 46.02 46.57 1a5e n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 24 N -3.83 2.04 -0.31 1.61 3.00 -0.46 -4.96 116.66 113.75 1a5e n ARG 24 Ca -0.10 -3.87 -0.12 0.00 -0.00 0.00 0.00 57.85 53.76 1a5e n ARG 24 Cb 0.59 -1.77 -0.09 0.00 0.00 0.00 0.00 32.46 31.19 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1a5e h VAL 25 N 2.44 0.00 -1.06 5.15 2.07 -1.90 0.38 116.25 123.33 1a5e h VAL 25 Ca 0.09 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.92 1a5e h VAL 25 Cb 0.95 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 1a5e h VAL 25 CO 0.64 0.00 0.64 -0.33 0.02 0.00 0.00 177.57 178.54 1a5e h GLU 26 N -0.16 0.34 -0.20 1.57 4.39 -1.98 0.87 114.58 119.41 1a5e h GLU 26 Ca 0.13 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 1a5e h GLU 26 Cb 0.49 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1a5e h GLU 26 CO -0.81 0.23 -0.52 1.49 -1.16 0.00 0.00 179.01 178.24 1a5e h GLU 27 N 0.35 0.57 0.20 2.33 4.57 -0.69 -2.99 114.58 118.92 1a5e h GLU 27 Ca 0.70 -0.35 -0.29 0.00 -1.18 0.00 0.00 59.36 58.25 1a5e h GLU 27 Cb 1.69 0.03 0.03 0.00 -0.16 0.00 0.00 28.75 30.35 1a5e h GLU 27 CO -0.48 0.95 -1.24 0.28 -1.18 0.00 0.00 179.01 177.34 1a5e h VAL 28 N 0.44 1.35 -0.89 0.32 2.07 0.12 -1.23 116.25 118.43 1a5e h VAL 28 Ca 0.01 -2.61 0.16 0.00 0.82 0.00 0.00 66.70 65.09 1a5e h VAL 28 Cb 1.06 3.04 -0.10 0.00 -1.52 0.00 0.00 31.29 33.77 1a5e h VAL 28 CO 0.10 0.77 0.48 0.03 0.02 0.00 0.00 177.57 178.97 1a5e h ARG 29 N 0.01 0.62 0.00 1.57 2.47 0.40 0.16 114.38 119.61 1a5e h ARG 29 Ca -0.21 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1a5e h ARG 29 Cb 1.97 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 30.15 1a5e h ARG 29 CO 0.23 0.41 -0.03 0.00 0.56 0.00 0.00 179.97 181.15 1a5e h ALA 30 N 1.59 0.00 -0.49 0.04 0.00 -1.59 -3.05 119.26 115.77 1a5e h ALA 30 Ca 0.50 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1a5e h ALA 30 Cb 0.75 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1a5e h ALA 30 CO -0.38 0.02 -0.56 -0.07 0.00 0.00 0.00 179.25 178.27 1a5e h LEU 31 N -1.00 -1.89 -0.30 0.00 3.38 -0.92 0.90 115.31 115.49 1a5e h LEU 31 Ca -0.01 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1a5e h LEU 31 Cb 0.41 0.78 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1a5e h LEU 31 CO -0.00 -0.37 -0.18 0.25 0.09 0.00 0.00 178.44 178.22 1a5e h LEU 32 N -0.34 -0.60 0.00 1.67 6.46 -0.86 0.36 115.31 121.99 1a5e h LEU 32 Ca 0.08 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1a5e h LEU 32 Cb 0.56 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1a5e h LEU 32 CO -0.64 -0.22 0.00 -0.62 -0.62 0.00 0.00 178.44 176.34 1a5e n GLU 33 N -5.35 0.04 0.03 1.25 1.02 -0.46 -2.31 120.64 114.86 1a5e n GLU 33 Ca 0.00 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1a5e n GLU 33 Cb 0.26 -1.50 0.10 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 -1.46 3.37 0.00 0.62 0.00 0.30 -4.91 120.51 118.42 1a5e n ALA 34 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1a5e n ALA 34 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.39 0.68 3.56 0.00 0.00 -0.83 -5.05 105.19 104.94 1a5e n GLY 35 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.92 -1.60 4.61 0.00 -0.91 -4.91 120.51 116.79 1a5e n ALA 36 Ca 0.00 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 1a5e n ALA 36 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.51 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 0.85 3.40 -0.06 0.00 1.43 -1.20 -4.72 118.68 118.38 1a5e s LEU 37 Ca 0.67 1.83 -0.20 0.00 -1.03 0.00 0.00 54.13 55.41 1a5e s LEU 37 Cb -0.82 -4.53 -0.15 0.00 0.03 0.00 0.00 46.19 40.72 1a5e s LEU 37 CO 0.55 -1.35 0.80 1.55 0.23 0.00 0.00 176.35 178.14 1a5e h PRO 38 N 0.11 -0.20 -0.66 1.29 0.13 -1.90 -3.30 132.00 127.48 1a5e h PRO 38 Ca -0.46 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1a5e h PRO 38 Cb 1.22 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1a5e h PRO 38 CO 0.56 0.22 0.08 0.09 -0.23 0.00 0.00 178.00 178.72 1a5e n ASN 39 N -4.91 5.25 -4.39 1.44 5.03 -1.26 -4.55 115.26 111.88 1a5e n ASN 39 Ca -0.07 -2.95 -0.40 0.00 0.87 0.00 0.00 54.58 52.02 1a5e n ASN 39 Cb 0.26 -0.69 -0.15 0.00 -1.02 0.00 0.00 39.78 38.18 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5e n ALA 40 N 0.39 0.28 -1.78 5.41 0.00 -1.24 -4.84 120.51 118.73 1a5e n ALA 40 Ca 0.30 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1a5e n ALA 40 Cb 1.20 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 8.72 3.91 0.27 0.00 0.04 -1.26 -4.76 135.00 141.92 1a5e s PRO 41 Ca 1.32 1.61 0.03 0.00 0.04 0.00 0.00 61.00 64.01 1a5e s PRO 41 Cb -1.24 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1a5e s PRO 41 CO 0.48 -0.38 0.19 1.21 0.04 0.00 0.00 177.00 178.55 1a5e s ASN 42 N -1.53 1.00 -0.11 6.66 2.47 -1.26 -4.87 114.94 117.30 1a5e s ASN 42 Ca 0.62 -1.57 -0.06 0.00 0.42 0.00 0.00 52.86 52.27 1a5e s ASN 42 Cb -0.24 0.45 -0.25 0.00 -1.45 0.00 0.00 41.25 39.76 1a5e s ASN 42 CO 0.30 -0.94 3.44 -0.24 -3.72 0.00 0.00 177.10 175.94 1a5e n SER 43 N -0.90 5.24 0.00 -4.21 2.88 -1.26 -3.62 113.62 111.75 1a5e n SER 43 Ca 0.04 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1a5e n SER 43 Cb 0.64 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1a5e n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e n TYR 44 N 2.60 0.00 -1.78 0.66 4.19 -1.26 -4.98 117.16 116.59 1a5e n TYR 44 Ca 0.43 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.50 1a5e n TYR 44 Cb 0.83 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.62 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1a5e n GLY 45 N 0.21 0.74 2.61 2.98 0.00 -1.24 -4.90 105.19 105.60 1a5e n GLY 45 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1a5e n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 46 N -3.88 0.24 1.01 1.61 0.52 -1.26 -4.84 118.95 112.34 1a5e s ARG 46 Ca 0.00 -0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 54.71 1a5e s ARG 46 Cb 0.00 -1.67 0.25 0.00 0.52 0.00 0.00 34.95 34.05 1a5e s ARG 46 CO 0.00 -0.80 0.57 0.54 0.02 0.00 0.00 175.30 175.64 1a5e n ARG 47 N 5.21 -3.56 -0.84 3.54 3.00 -1.26 -4.78 116.66 117.95 1a5e n ARG 47 Ca -0.07 -0.96 -0.30 0.00 -0.01 0.00 0.00 57.85 56.51 1a5e n ARG 47 Cb 0.46 -1.33 0.24 0.00 0.00 0.00 0.00 32.46 31.84 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1a5e s PRO 48 N -4.23 -1.40 0.00 5.56 0.04 -1.26 -3.77 135.00 129.95 1a5e s PRO 48 Ca 0.44 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1a5e s PRO 48 Cb -0.08 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1a5e s PRO 48 CO 0.37 -3.88 0.00 -0.89 0.04 0.00 0.00 177.00 172.64 1a5e n ILE 49 N -4.93 0.00 -0.25 0.56 5.41 -1.26 -4.12 119.36 114.77 1a5e n ILE 49 Ca 0.10 0.00 0.32 0.00 1.00 0.00 0.00 62.75 64.17 1a5e n ILE 49 Cb 0.59 0.00 0.63 0.00 -0.71 0.00 0.00 39.64 40.14 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 -0.46 0.38 4.15 -1.91 0.82 115.11 118.09 1a5e h GLN 50 Ca 0.00 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.08 1a5e h GLN 50 Cb 0.00 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 27.39 1a5e h GLN 50 CO 0.00 0.00 -0.78 1.55 -1.93 0.00 0.00 178.83 177.67 1a5e n VAL 51 N -3.61 2.14 -1.01 2.39 3.14 -1.25 -4.82 118.33 115.31 1a5e n VAL 51 Ca 0.24 -3.60 -0.24 0.00 -2.96 0.00 0.00 64.34 57.79 1a5e n VAL 51 Cb 1.38 -0.47 0.07 0.00 -1.06 0.00 0.00 33.84 33.76 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 -0.74 2.15 0.00 1.45 0.00 0.29 -1.47 117.12 118.80 1a5e n MET 52 Ca 0.30 -2.31 0.00 0.00 0.00 0.00 0.00 57.70 55.69 1a5e n MET 52 Cb 0.88 -1.91 0.00 0.00 0.00 0.00 0.00 33.22 32.20 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 -0.30 0.00 -2.11 3.17 1.56 -1.12 -3.96 117.12 114.36 1a5e n MET 53 Ca 0.44 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.79 1a5e n MET 53 Cb 0.74 -2.38 -0.01 0.00 2.15 0.00 0.00 33.22 33.71 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 -1.80 -2.09 -0.12 2.12 2.81 -1.26 -4.68 117.12 112.10 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 -4.91 0.02 0.00 -0.71 0.00 0.00 33.22 27.62 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 -0.56 0.20 2.69 3.03 0.00 -1.25 -4.75 105.19 104.54 1a5e n GLY 55 Ca -0.10 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.82 -0.06 0.60 1.61 0.01 -1.26 -4.98 113.70 108.79 1a5e s SER 56 Ca 0.04 -2.04 0.28 0.00 1.31 0.00 0.00 55.95 55.55 1a5e s SER 56 Cb 0.04 0.92 1.40 0.00 0.21 0.00 0.00 66.02 68.59 1a5e s SER 56 CO 0.00 -0.14 1.81 0.00 0.41 0.00 0.00 173.24 175.33 1a5e h ALA 57 N 5.78 2.21 -0.93 1.44 0.00 -1.92 -0.20 119.26 125.64 1a5e h ALA 57 Ca 0.12 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1a5e h ALA 57 Cb 1.04 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1a5e h ALA 57 CO 0.16 -0.83 0.55 0.00 0.00 0.00 0.00 179.25 179.14 1a5e h ARG 58 N 0.00 0.80 0.45 0.00 3.08 -1.96 -2.18 114.38 114.57 1a5e h ARG 58 Ca 0.23 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1a5e h ARG 58 Cb 1.38 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1a5e h ARG 58 CO -0.00 0.53 -0.44 0.28 -1.07 0.00 0.00 179.97 179.27 1a5e h VAL 59 N 0.83 0.12 -0.57 2.04 2.07 -1.40 -2.42 116.25 116.92 1a5e h VAL 59 Ca 0.48 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.11 1a5e h VAL 59 Cb 0.57 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.35 1a5e h VAL 59 CO -0.31 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.01 1a5e h ALA 60 N -0.62 0.09 -0.93 1.67 0.00 -1.56 0.37 119.26 118.28 1a5e h ALA 60 Ca -0.05 0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.31 1a5e h ALA 60 Cb 0.79 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 1a5e h ALA 60 CO -0.06 -0.60 0.37 1.49 0.00 0.00 0.00 179.25 180.44 1a5e h GLU 61 N -0.13 0.25 0.27 0.00 4.57 -1.01 1.63 114.58 120.16 1a5e h GLU 61 Ca 0.25 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1a5e h GLU 61 Cb 0.52 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1a5e h GLU 61 CO -0.65 0.17 -0.13 1.25 -1.18 0.00 0.00 179.01 178.47 1a5e h LEU 62 N 0.26 -0.31 0.46 1.64 5.85 0.08 -3.02 115.31 120.27 1a5e h LEU 62 Ca 0.62 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.33 1a5e h LEU 62 Cb 1.32 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1a5e h LEU 62 CO -0.64 0.08 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.25 1a5e h LEU 63 N -0.97 -0.52 -0.27 2.25 3.38 -0.28 -2.34 115.31 116.56 1a5e h LEU 63 Ca -0.04 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1a5e h LEU 63 Cb 0.28 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1a5e h LEU 63 CO 0.06 -0.21 -0.46 0.25 0.09 0.00 0.00 178.44 178.18 1a5e h LEU 64 N -0.85 -1.51 -2.41 1.67 6.46 0.22 1.06 115.31 119.95 1a5e h LEU 64 Ca -0.06 0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1a5e h LEU 64 Cb 0.57 0.61 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1a5e h LEU 64 CO 0.10 -0.36 0.14 0.17 -0.62 0.00 0.00 178.44 177.88 1a5e h LEU 65 N -0.38 0.00 0.21 2.25 8.10 -1.58 -1.11 115.31 122.80 1a5e h LEU 65 Ca 0.05 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.71 1a5e h LEU 65 Cb 0.51 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.76 1a5e h LEU 65 CO -0.45 0.00 -1.54 0.45 -4.11 0.00 0.00 178.44 172.79 1a5e h HIS 66 N 0.00 0.80 0.00 0.17 3.86 0.51 -3.48 115.15 117.01 1a5e h HIS 66 Ca 0.04 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1a5e h HIS 66 Cb 0.32 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1a5e h HIS 66 CO 0.00 1.54 0.00 0.41 0.86 0.00 0.00 177.93 180.74 1a5e n GLY 67 N 1.73 0.00 0.00 2.45 0.00 0.31 -4.91 105.19 104.77 1a5e n GLY 67 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.57 4.61 0.00 -0.75 -3.99 120.51 117.80 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 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 3.41 0.16 0.00 -0.00 -1.26 -4.77 120.64 118.18 1a5e n GLU 69 Ca 0.00 -4.53 0.12 0.00 -0.00 0.00 0.00 57.16 52.75 1a5e n GLU 69 Cb 0.00 -2.26 0.56 0.00 -0.00 0.00 0.00 31.44 29.74 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1a5e h PRO 70 N 2.82 0.00 0.00 3.44 0.13 -1.91 -3.35 132.00 133.13 1a5e h PRO 70 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1a5e h PRO 70 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1a5e h PRO 70 CO 0.91 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 1a5e n ASN 71 N -2.34 0.00 -4.10 1.44 4.13 -1.26 -4.28 115.26 108.85 1a5e n ASN 71 Ca 0.01 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.97 1a5e n ASN 71 Cb 0.18 -0.22 0.16 0.00 -1.54 0.00 0.00 39.78 38.35 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a5e n ALA 73 N -4.38 0.00 -2.74 0.00 0.00 -1.26 -4.50 120.51 107.62 1a5e n ALA 73 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 1a5e n ALA 73 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 1.37 6.33 0.41 0.00 1.11 -1.04 -4.88 116.67 119.97 1a5e s ASP 74 Ca 0.00 0.37 0.18 0.00 0.18 0.00 0.00 52.55 53.28 1a5e s ASP 74 Cb 0.00 -2.12 0.88 0.00 1.07 0.00 0.00 42.92 42.75 1a5e s ASP 74 CO 0.00 0.19 1.86 1.55 1.18 0.00 0.00 175.17 179.95 1a5e h PRO 75 N 6.37 0.00 0.18 8.23 0.13 -1.93 1.05 132.00 146.03 1a5e h PRO 75 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1a5e h PRO 75 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1a5e h PRO 75 CO 0.73 0.31 -0.29 0.00 -0.23 0.00 0.00 178.00 178.52 1a5e h ALA 76 N 1.69 -0.90 -0.37 -0.56 0.00 -1.95 -3.33 119.26 113.84 1a5e h ALA 76 Ca -0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1a5e h ALA 76 Cb 0.65 0.61 -0.34 0.00 0.00 0.00 0.00 17.79 18.72 1a5e h ALA 76 CO 0.04 -0.94 -0.90 0.25 0.00 0.00 0.00 179.25 177.70 1a5e n THR 77 N -4.12 1.58 -4.00 0.00 -2.24 -1.23 -4.96 114.28 99.31 1a5e n THR 77 Ca -0.06 -3.01 -0.32 0.00 -2.27 0.00 0.00 64.05 58.39 1a5e n THR 77 Cb 0.25 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.52 -1.06 -4.55 3.22 4.77 0.36 -1.46 117.00 117.76 1a5e n LEU 78 Ca 0.20 -0.81 -0.38 0.00 -0.03 0.00 0.00 56.01 54.99 1a5e n LEU 78 Cb 0.90 -1.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 1a5e n LEU 78 CO 0.13 0.14 1.59 -0.89 -1.33 0.00 0.00 177.39 177.03 1a5e s THR 79 N -3.03 3.37 0.79 -5.08 2.01 -1.14 -4.17 115.64 108.39 1a5e s THR 79 Ca 0.63 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.69 1a5e s THR 79 Cb -0.36 -3.97 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1a5e s THR 79 CO 0.78 -0.94 1.10 -0.13 -0.69 0.00 0.00 174.62 174.74 1a5e s ARG 80 N 7.01 2.18 0.48 4.92 0.52 -1.26 -2.49 118.95 130.32 1a5e s ARG 80 Ca 0.67 0.54 0.27 0.00 -0.52 0.00 0.00 55.73 56.69 1a5e s ARG 80 Cb -0.12 -1.94 1.14 0.00 0.52 0.00 0.00 34.95 34.55 1a5e s ARG 80 CO 0.19 -1.53 1.91 -1.00 0.02 0.00 0.00 175.30 174.90 1a5e h PRO 81 N -1.02 0.00 -0.38 3.54 0.13 -1.80 -2.81 132.00 129.66 1a5e h PRO 81 Ca -0.47 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1a5e h PRO 81 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1a5e h PRO 81 CO 0.61 0.16 0.29 0.28 -0.23 0.00 0.00 178.00 179.11 1a5e h VAL 82 N 0.00 0.74 0.00 1.56 2.07 -1.91 -1.51 116.25 117.20 1a5e h VAL 82 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a5e h VAL 82 Cb 0.61 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1a5e h VAL 82 CO 0.02 0.00 -0.00 0.45 0.02 0.00 0.00 177.57 178.06 1a5e h HIS 83 N 0.00 -0.01 -0.90 1.57 3.86 -1.82 -3.06 115.15 114.80 1a5e h HIS 83 Ca 0.18 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.64 1a5e h HIS 83 Cb 0.76 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.09 1a5e h HIS 83 CO 0.00 0.69 0.27 -0.44 0.86 0.00 0.00 177.93 179.32 1a5e h ASP 84 N -0.71 0.05 0.17 2.45 3.32 -1.41 0.98 116.42 121.27 1a5e h ASP 84 Ca -0.00 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1a5e h ASP 84 Cb 0.70 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1a5e h ASP 84 CO 0.00 -0.16 -0.08 0.00 -1.72 0.00 0.00 179.24 177.28 1a5e h ALA 85 N 1.80 -0.84 -0.60 3.45 0.00 -1.50 -2.92 119.26 118.64 1a5e h ALA 85 Ca 0.58 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.53 1a5e h ALA 85 Cb 1.19 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1a5e h ALA 85 CO -0.66 -0.82 0.23 0.00 0.00 0.00 0.00 179.25 178.00 1a5e h ALA 86 N -1.85 0.77 -1.10 0.00 0.00 -1.33 0.64 119.26 116.39 1a5e h ALA 86 Ca -0.02 0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.27 1a5e h ALA 86 Cb 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1a5e h ALA 86 CO 0.04 -0.18 0.75 -0.09 0.00 0.00 0.00 179.25 179.76 1a5e h ARG 87 N 0.42 0.19 0.00 0.00 1.12 0.94 0.40 114.38 117.45 1a5e h ARG 87 Ca 0.30 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.16 1a5e h ARG 87 Cb 0.36 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 1a5e h ARG 87 CO -0.29 0.13 -1.15 0.39 -3.11 0.00 0.00 179.97 175.93 1a5e n GLU 88 N -4.42 0.13 -1.78 0.20 -0.58 -0.34 -4.93 120.64 108.93 1a5e n GLU 88 Ca 0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1a5e n GLU 88 Cb 1.05 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5e n GLY 89 N 1.45 0.79 3.24 0.62 0.00 0.14 -5.02 105.19 106.41 1a5e n GLY 89 Ca 0.03 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.31 3.57 0.32 1.61 2.19 -0.58 -4.89 117.98 117.87 1a5e s PHE 90 Ca 0.00 -2.16 0.07 0.00 0.33 0.00 0.00 56.93 55.17 1a5e s PHE 90 Cb 0.00 -3.57 0.53 0.00 -1.31 0.00 0.00 43.02 38.67 1a5e s PHE 90 CO 0.00 -0.94 1.75 1.25 1.83 0.00 0.00 175.22 179.11 1a5e h LEU 91 N 7.71 0.27 -0.38 6.12 6.46 -1.94 -3.05 115.31 130.48 1a5e h LEU 91 Ca -0.01 -0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1a5e h LEU 91 Cb 1.02 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.80 1a5e h LEU 91 CO 0.78 0.59 -0.10 0.44 -0.62 0.00 0.00 178.44 179.52 1a5e h ASP 92 N 0.23 -0.37 -0.75 1.25 3.32 -1.98 0.16 116.42 118.29 1a5e h ASP 92 Ca 0.03 0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1a5e h ASP 92 Cb 0.69 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 1a5e h ASP 92 CO 0.05 -0.13 0.49 0.74 -1.72 0.00 0.00 179.24 178.67 1a5e h THR 93 N -0.00 0.99 -0.56 0.35 2.02 -1.85 -1.08 112.91 112.77 1a5e h THR 93 Ca 0.18 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1a5e h THR 93 Cb 0.29 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1a5e h THR 93 CO -0.40 0.13 0.34 -0.07 0.37 0.00 0.00 175.52 175.90 1a5e h LEU 94 N 0.73 0.68 0.02 2.58 4.07 -0.72 -0.95 115.31 121.73 1a5e h LEU 94 Ca 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1a5e h LEU 94 Cb 0.35 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1a5e h LEU 94 CO -0.12 0.53 -0.02 0.58 -1.08 0.00 0.00 178.44 178.34 1a5e h VAL 95 N 0.76 0.96 -0.54 1.22 2.07 -0.30 -1.78 116.25 118.63 1a5e h VAL 95 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 1a5e h VAL 95 Cb -0.02 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1a5e h VAL 95 CO -0.04 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.35 1a5e h VAL 96 N -0.05 0.86 0.01 2.57 2.07 -1.14 0.59 116.25 121.16 1a5e h VAL 96 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1a5e h VAL 96 Cb 0.04 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1a5e h VAL 96 CO -0.00 0.08 -0.01 -0.07 0.02 0.00 0.00 177.57 177.59 1a5e h LEU 97 N 0.42 -0.02 -2.56 2.57 4.07 -0.76 -1.66 115.31 117.38 1a5e h LEU 97 Ca 0.26 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.23 1a5e h LEU 97 Cb 0.25 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 1a5e h LEU 97 CO -0.23 -0.01 0.10 -0.74 -1.08 0.00 0.00 178.44 176.48 1a5e h HIS 98 N -0.01 0.00 0.00 1.13 2.76 -1.24 0.15 115.15 117.94 1a5e h HIS 98 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a5e h HIS 98 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1a5e h HIS 98 CO -0.07 0.00 0.00 -0.09 -1.30 0.00 0.00 177.93 176.47 1a5e h ARG 99 N 0.00 0.00 -1.71 5.26 2.43 0.10 -3.36 114.38 117.11 1a5e h ARG 99 Ca 0.02 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.70 1a5e h ARG 99 Cb 0.23 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 29.44 1a5e h ARG 99 CO -0.00 0.00 -0.95 0.00 -1.51 0.00 0.00 179.97 177.51 1a5e n ALA 100 N -1.89 1.67 -2.67 2.80 0.00 0.52 -5.03 120.51 115.92 1a5e n ALA 100 Ca 0.02 -2.89 -0.03 0.00 0.00 0.00 0.00 53.44 50.54 1a5e n ALA 100 Cb 0.30 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 1.84 -3.69 2.75 0.00 0.00 -1.22 -4.91 105.19 99.96 1a5e n GLY 101 Ca 0.21 1.06 -0.04 0.00 0.00 0.00 0.00 46.02 47.24 1a5e n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 102 N 1.98 -2.09 -1.67 4.61 0.00 -1.23 -4.21 120.51 117.90 1a5e n ALA 102 Ca -0.25 -0.92 -0.46 0.00 0.00 0.00 0.00 53.44 51.82 1a5e n ALA 102 Cb 0.38 -1.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1a5e n ALA 102 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1a5e n ARG 103 N 2.81 2.41 -0.64 0.00 0.63 -1.26 -4.48 116.66 116.13 1a5e n ARG 103 Ca 0.17 0.88 0.09 0.00 -0.92 0.00 0.00 57.85 58.06 1a5e n ARG 103 Cb 0.58 -2.79 0.36 0.00 0.45 0.00 0.00 32.46 31.05 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 7.15 4.79 -2.44 6.15 4.77 -1.26 -4.44 117.00 131.72 1a5e n LEU 104 Ca 0.22 -2.42 -0.34 0.00 -0.03 0.00 0.00 56.01 53.44 1a5e n LEU 104 Cb 0.34 -0.59 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1a5e n LEU 104 CO 0.71 0.77 1.19 -0.67 -1.33 0.00 0.00 177.39 178.06 1a5e n ASP 105 N 1.05 7.01 -1.86 -1.43 2.03 -1.26 -4.59 116.55 117.50 1a5e n ASP 105 Ca 0.25 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.77 1a5e n ASP 105 Cb 0.91 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.76 0.00 -3.85 5.18 3.14 -1.26 -5.02 118.33 115.75 1a5e n VAL 106 Ca 0.56 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.82 1a5e n VAL 106 Cb 0.60 -0.84 -0.13 0.00 -1.06 0.00 0.00 33.84 32.41 1a5e n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s ARG 107 N -1.67 0.10 -0.53 1.45 1.70 -1.26 -4.65 118.95 114.09 1a5e s ARG 107 Ca 0.00 0.06 -0.05 0.00 -0.47 0.00 0.00 55.73 55.26 1a5e s ARG 107 Cb 0.00 0.05 -0.12 0.00 -0.57 0.00 0.00 34.95 34.31 1a5e s ARG 107 CO 0.00 -0.01 2.47 -3.47 -1.08 0.00 0.00 175.30 173.21 1a5e n ASP 108 N 2.94 4.68 0.00 -2.89 -0.08 0.48 -4.62 116.55 117.06 1a5e n ASP 108 Ca -0.13 -2.27 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1a5e n ASP 108 Cb 0.59 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a5e n ALA 109 N 3.33 0.00 -0.34 -1.67 0.00 -0.54 -3.63 120.51 117.66 1a5e n ALA 109 Ca 0.41 0.00 0.22 0.00 0.00 0.00 0.00 53.44 54.07 1a5e n ALA 109 Cb 0.40 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.30 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 0.89 0.00 0.00 -0.00 -1.87 -3.44 115.95 111.53 1a5e h TRP 110 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1a5e h TRP 110 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 28.91 1a5e h TRP 110 CO 0.00 -0.05 0.00 0.41 -0.00 0.00 0.00 178.44 178.80 1a5e n GLY 111 N -1.34 1.33 3.68 1.49 0.00 -1.24 -5.11 105.19 103.99 1a5e n GLY 111 Ca 0.29 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.86 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 2.28 -2.63 1.61 1.74 -1.26 -4.51 116.66 113.89 1a5e n ARG 112 Ca 0.00 0.82 -0.22 0.00 -0.77 0.00 0.00 57.85 57.69 1a5e n ARG 112 Cb 0.00 -2.62 0.05 0.00 -1.02 0.00 0.00 32.46 28.87 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 1.33 3.20 0.17 0.55 1.02 -1.26 -0.38 118.68 123.30 1a5e s LEU 113 Ca 0.80 -0.10 -0.08 0.00 0.02 0.00 0.00 54.13 54.77 1a5e s LEU 113 Cb -0.64 -2.67 0.05 0.00 0.02 0.00 0.00 46.19 42.94 1a5e s LEU 113 CO 0.38 -1.29 1.52 1.55 0.02 0.00 0.00 176.35 178.54 1a5e h PRO 114 N -0.05 0.83 -0.04 1.29 0.13 -1.89 -2.83 132.00 129.45 1a5e h PRO 114 Ca -0.41 -0.42 -0.12 0.00 -0.87 0.00 0.00 66.00 64.19 1a5e h PRO 114 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1a5e h PRO 114 CO 0.50 1.06 -0.52 -0.24 -0.23 0.00 0.00 178.00 178.56 1a5e h VAL 115 N 0.68 1.37 0.00 1.56 3.04 -1.91 -2.61 116.25 118.38 1a5e h VAL 115 Ca 0.06 -1.79 -0.05 0.00 -1.01 0.00 0.00 66.70 63.91 1a5e h VAL 115 Cb 0.93 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1a5e h VAL 115 CO 0.09 0.52 -0.22 -0.78 -1.01 0.00 0.00 177.57 176.16 1a5e h ASP 116 N 0.07 0.00 0.05 3.17 1.82 -1.90 -3.02 116.42 116.62 1a5e h ASP 116 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1a5e h ASP 116 Cb 0.95 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1a5e h ASP 116 CO 0.07 0.22 -0.02 0.25 -1.61 0.00 0.00 179.24 178.15 1a5e h LEU 117 N 0.00 -0.06 -0.97 2.28 6.46 -1.24 -3.07 115.31 118.71 1a5e h LEU 117 Ca -0.00 -0.44 0.24 0.00 -0.12 0.00 0.00 57.88 57.56 1a5e h LEU 117 Cb 0.54 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.36 1a5e h LEU 117 CO 0.03 0.63 0.52 0.00 -0.62 0.00 0.00 178.44 179.00 1a5e h ALA 118 N -0.47 1.68 -0.19 1.25 0.00 -1.53 0.18 119.26 120.19 1a5e h ALA 118 Ca -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a5e h ALA 118 Cb 0.50 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1a5e h ALA 118 CO 0.01 -0.32 0.08 0.93 0.00 0.00 0.00 179.25 179.95 1a5e h GLU 119 N 0.50 0.28 0.40 0.00 5.08 -1.63 -1.27 114.58 117.94 1a5e h GLU 119 Ca 0.62 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.91 1a5e h GLU 119 Cb 1.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1a5e h GLU 119 CO -0.51 0.35 -0.19 1.49 -1.00 0.00 0.00 179.01 179.15 1a5e h GLU 120 N 0.15 -0.52 0.00 2.33 4.81 -0.67 -3.34 114.58 117.34 1a5e h GLU 120 Ca 0.06 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1a5e h GLU 120 Cb 0.17 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1a5e h GLU 120 CO -0.01 -0.32 0.00 1.28 -0.73 0.00 0.00 179.01 179.23 1a5e n LEU 121 N -5.30 0.00 0.00 1.64 7.99 0.24 -4.94 117.00 116.63 1a5e n LEU 121 Ca -0.11 0.45 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 1a5e n LEU 121 Cb 0.24 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1a5e n LEU 121 CO 0.36 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1a5e n GLY 122 N -0.56 0.00 2.70 -0.72 0.00 -0.62 -5.07 105.19 100.92 1a5e n GLY 122 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.50 -0.25 1.61 8.25 -0.58 -4.91 115.22 122.84 1a5e n HIS 123 Ca 0.00 -4.02 0.06 0.00 -0.26 0.00 0.00 57.72 53.50 1a5e n HIS 123 Cb 0.00 -0.50 0.19 0.00 1.12 0.00 0.00 29.99 30.80 1a5e n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5e h ARG 124 N 3.37 0.29 -0.61 -0.41 3.08 -1.92 0.43 114.38 118.62 1a5e h ARG 124 Ca 0.15 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.28 1a5e h ARG 124 Cb 0.60 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 1a5e h ARG 124 CO 0.79 0.19 0.18 0.22 -1.07 0.00 0.00 179.97 180.29 1a5e h ASP 125 N 0.30 0.12 -0.05 7.04 1.82 -1.96 0.70 116.42 124.39 1a5e h ASP 125 Ca 0.43 0.09 -0.20 0.00 -0.39 0.00 0.00 57.03 56.96 1a5e h ASP 125 Cb 0.73 0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.86 1a5e h ASP 125 CO -0.50 0.07 -0.74 0.58 -1.61 0.00 0.00 179.24 177.04 1a5e h VAL 126 N 0.34 1.34 -0.24 2.25 2.07 -1.27 -3.02 116.25 117.72 1a5e h VAL 126 Ca 0.31 -2.05 0.01 0.00 0.82 0.00 0.00 66.70 65.79 1a5e h VAL 126 Cb 0.43 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1a5e h VAL 126 CO -0.35 0.62 0.15 0.00 0.02 0.00 0.00 177.57 178.01 1a5e h ALA 127 N 0.42 0.30 0.08 1.67 0.00 0.49 0.53 119.26 122.76 1a5e h ALA 127 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a5e h ALA 127 Cb 1.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1a5e h ALA 127 CO 0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.03 1a5e h ARG 128 N 0.31 -0.22 -0.73 0.00 3.08 0.33 0.74 114.38 117.90 1a5e h ARG 128 Ca 0.09 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.36 1a5e h ARG 128 Cb -0.02 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1a5e h ARG 128 CO -0.03 -0.15 0.52 -0.92 -1.07 0.00 0.00 179.97 178.32 1a5e h TYR 129 N -0.23 0.04 0.17 3.04 3.20 -1.51 -1.22 116.97 120.46 1a5e h TYR 129 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1a5e h TYR 129 Cb 0.21 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1a5e h TYR 129 CO -0.23 0.01 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.15 1a5e h LEU 130 N 0.04 -0.19 -2.01 2.82 3.38 0.33 1.03 115.31 120.71 1a5e h LEU 130 Ca 0.35 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1a5e h LEU 130 Cb 1.34 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1a5e h LEU 130 CO -0.02 0.30 0.34 -0.09 0.09 0.00 0.00 178.44 179.07 1a5e h ARG 131 N -0.76 0.00 0.00 1.13 2.43 0.15 1.54 114.38 118.87 1a5e h ARG 131 Ca -0.02 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1a5e h ARG 131 Cb 0.52 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1a5e h ARG 131 CO 0.04 0.00 -1.03 0.00 -1.51 0.00 0.00 179.97 177.47 1a5e n ALA 132 N -2.62 0.68 0.86 2.80 0.00 -0.60 -1.44 120.51 120.18 1a5e n ALA 132 Ca 0.08 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.13 1a5e n ALA 132 Cb 0.55 -0.28 0.51 0.00 0.00 0.00 0.00 19.45 20.24 1a5e n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 133 N -3.58 2.09 0.00 0.00 0.00 0.35 -4.09 120.51 115.28 1a5e n ALA 133 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1a5e n ALA 133 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.46 2.49 -1.70 0.00 0.00 0.51 -4.62 120.51 115.74 1a5e n ALA 134 Ca 0.07 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.96 1a5e n ALA 134 Cb 0.25 0.43 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 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 3.01 1.00 0.36 0.00 0.00 -0.43 -4.15 105.19 104.98 1a5e n GLY 135 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 46.02 46.99 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 4.23 -0.10 3.59 -0.02 0.00 -1.26 -4.78 105.19 106.85 1a5e n GLY 136 Ca 0.25 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1a5e n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5e n THR 137 N 0.02 0.32 0.00 2.61 -2.24 -1.26 -4.77 114.28 108.97 1a5e n THR 137 Ca 0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1a5e n THR 137 Cb 0.19 -2.54 0.00 0.00 -2.10 0.00 0.00 70.33 65.88 1a5e n THR 137 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1a5e n ARG 138 N 8.76 0.00 0.00 -0.78 0.63 -1.26 -5.06 116.66 118.94 1a5e n ARG 138 Ca 0.31 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1a5e n ARG 138 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 1a5e n ARG 138 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a5e n GLY 139 N 3.38 0.97 0.26 5.14 0.00 -1.26 -4.41 105.19 109.27 1a5e n GLY 139 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1a5e n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5e h SER 140 N 0.00 0.00 0.00 1.61 0.02 -1.99 -2.97 113.55 110.22 1a5e h SER 140 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1a5e h SER 140 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1a5e h SER 140 CO 0.00 0.00 -1.87 -3.20 -1.14 0.00 0.00 176.83 170.62 1a5e n ASN 141 N -2.79 2.59 -0.27 3.07 5.15 -1.26 -5.08 115.26 116.66 1a5e n ASN 141 Ca -0.01 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1a5e n ASN 141 Cb 0.12 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 1a5e n ASN 141 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5e n HIS 142 N -2.82 -0.06 -4.94 1.20 1.44 -1.12 -5.16 115.22 103.76 1a5e n HIS 142 Ca -0.25 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.13 1a5e n HIS 142 Cb 0.82 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.78 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a5e s ALA 143 N -1.76 2.51 -0.30 1.59 0.00 -1.26 -4.28 121.76 118.25 1a5e s ALA 143 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1a5e s ALA 143 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1a5e s ALA 143 CO 0.00 0.37 1.56 0.50 0.00 0.00 0.00 175.76 178.18 1a5e s ARG 144 N -0.03 3.67 -0.28 0.00 3.52 -1.26 -4.11 118.95 120.46 1a5e s ARG 144 Ca -0.05 1.39 -0.10 0.00 -0.13 0.00 0.00 55.73 56.84 1a5e s ARG 144 Cb -0.14 -4.04 0.01 0.00 -1.56 0.00 0.00 34.95 29.22 1a5e s ARG 144 CO 0.04 -1.44 0.25 -0.89 -0.81 0.00 0.00 175.30 172.45 1a5e n ILE 145 N 6.74 -8.04 -1.50 4.11 5.41 -1.26 -4.56 119.36 120.26 1a5e n ILE 145 Ca 0.18 1.01 -0.41 0.00 1.00 0.00 0.00 62.75 64.54 1a5e n ILE 145 Cb 0.46 -5.50 -0.10 0.00 -0.71 0.00 0.00 39.64 33.80 1a5e n ILE 145 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1a5e n ASP 146 N 0.48 1.19 -4.48 4.38 2.03 -1.26 -4.73 116.55 114.16 1a5e n ASP 146 Ca 0.01 -0.03 -0.44 0.00 0.52 0.00 0.00 54.79 54.86 1a5e n ASP 146 Cb 0.34 -1.19 -0.09 0.00 -0.72 0.00 0.00 41.12 39.46 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 12.27 0.65 -1.66 -1.67 0.00 -1.26 -4.79 120.51 124.06 1a5e n ALA 147 Ca 0.53 -0.37 -0.55 0.00 0.00 0.00 0.00 53.44 53.06 1a5e n ALA 147 Cb 0.23 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.01 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 11.63 -0.47 -1.72 0.00 0.00 -1.26 -4.75 120.51 123.95 1a5e n ALA 148 Ca 0.50 0.44 -0.59 0.00 0.00 0.00 0.00 53.44 53.79 1a5e n ALA 148 Cb 0.23 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 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 4.15 0.96 -2.94 0.00 0.00 -1.26 -4.90 120.64 116.65 1a5e n GLU 149 Ca 0.23 0.35 -0.32 0.00 0.00 0.00 0.00 57.16 57.42 1a5e n GLU 149 Cb 0.16 -2.01 -0.06 0.00 0.00 0.00 0.00 31.44 29.54 1a5e n GLU 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1a5e s GLY 150 N 3.52 2.30 0.00 8.31 0.00 -1.26 -5.04 107.32 115.14 1a5e s GLY 150 Ca 1.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1a5e s GLY 150 CO 0.69 0.39 0.06 -1.55 0.00 0.00 0.00 173.10 172.69 1a5e n PRO 151 N -0.64 0.00 -3.15 2.90 -0.04 -1.26 -5.00 135.00 127.81 1a5e n PRO 151 Ca 0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1a5e n PRO 151 Cb 0.54 -0.35 -0.01 0.00 -0.04 0.00 0.00 33.50 33.64 1a5e n PRO 151 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a5e s SER 152 N -1.29 -1.06 1.30 3.54 0.01 -1.26 -5.16 113.70 109.78 1a5e s SER 152 Ca 0.00 0.39 -0.18 0.00 1.31 0.00 0.00 55.95 57.48 1a5e s SER 152 Cb 0.00 1.78 0.32 0.00 0.21 0.00 0.00 66.02 68.33 1a5e s SER 152 CO 0.00 -0.20 0.87 -0.67 0.41 0.00 0.00 173.24 173.65 1a5e n ASP 153 N 5.38 -2.85 -3.80 2.44 -0.08 -1.26 -4.98 116.55 111.39 1a5e n ASP 153 Ca 0.01 -0.47 -0.29 0.00 -1.51 0.00 0.00 54.79 52.54 1a5e n ASP 153 Cb 0.54 -1.12 -0.13 0.00 2.34 0.00 0.00 41.12 42.75 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1a5e s ILE 154 N -2.26 2.08 -0.13 5.18 1.01 -1.26 -5.08 121.20 120.74 1a5e s ILE 154 Ca 0.66 -3.33 -0.29 0.00 0.00 0.00 0.00 60.65 57.69 1a5e s ILE 154 Cb -0.19 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1a5e s ILE 154 CO 0.61 -0.94 1.39 -2.16 0.00 0.00 0.00 174.94 173.84 1a5e s PRO 155 N -0.44 4.22 0.00 2.79 0.04 -1.26 -5.37 135.00 134.98 1a5e s PRO 155 Ca 0.21 1.83 0.26 0.00 0.04 0.00 0.00 61.00 63.35 1a5e s PRO 155 Cb -0.15 -3.84 0.69 0.00 0.04 0.00 0.00 34.50 31.24 1a5e s PRO 155 CO -0.08 -0.75 1.54 -3.47 0.04 0.00 0.00 177.00 174.29