#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e n GLU 2 N 0.00 -2.05 -1.56 2.12 2.13 -1.26 -5.00 120.64 115.02 1a5e n GLU 2 Ca 0.00 1.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.53 1a5e n GLU 2 Cb 0.00 -5.82 0.16 0.00 0.27 0.00 0.00 31.44 26.05 1a5e n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1a5e s PRO 3 N -4.10 0.65 0.02 5.31 0.04 -1.26 -5.10 135.00 130.57 1a5e s PRO 3 Ca 0.36 0.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.37 1a5e s PRO 3 Cb -0.05 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1a5e s PRO 3 CO 0.74 -2.48 0.19 0.00 0.04 0.00 0.00 177.00 175.49 1a5e s ALA 4 N -3.38 -0.41 -0.60 8.56 0.00 -1.26 -5.04 121.76 119.61 1a5e s ALA 4 Ca 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1a5e s ALA 4 Cb -0.11 0.18 0.42 0.00 0.00 0.00 0.00 23.12 23.60 1a5e s ALA 4 CO 0.53 -0.28 2.03 0.00 0.00 0.00 0.00 175.76 178.04 1a5e n ALA 5 N 1.10 6.12 -1.38 0.00 0.00 -1.26 -4.56 120.51 120.52 1a5e n ALA 5 Ca -0.21 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1a5e n ALA 5 Cb 0.57 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.71 0.39 2.32 0.00 0.00 -1.26 -4.86 105.19 101.06 1a5e n GLY 6 Ca 0.57 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.40 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5e n SER 7 N -0.37 5.25 -0.00 1.61 3.41 -1.26 -3.89 113.62 118.37 1a5e n SER 7 Ca 0.00 -2.33 0.04 0.00 -0.26 0.00 0.00 58.87 56.32 1a5e n SER 7 Cb 0.00 -1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 62.72 1a5e n SER 7 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5e n SER 8 N 3.32 2.13 -0.04 4.04 2.88 -1.26 -4.55 113.62 120.14 1a5e n SER 8 Ca 0.46 -0.25 0.10 0.00 -1.33 0.00 0.00 58.87 57.84 1a5e n SER 8 Cb 0.42 1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 65.00 1a5e n SER 8 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1a5e n MET 9 N -1.56 0.27 -3.90 -1.46 2.81 -1.25 -4.91 117.12 107.12 1a5e n MET 9 Ca -0.00 -0.07 -0.35 0.00 -1.81 0.00 0.00 57.70 55.47 1a5e n MET 9 Cb 0.18 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.12 1a5e n MET 9 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1a5e s GLU 10 N -2.91 4.06 -0.91 0.03 2.02 -1.26 -4.99 118.70 114.74 1a5e s GLU 10 Ca 0.09 -0.30 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 1a5e s GLU 10 Cb 0.16 -3.29 -0.11 0.00 0.10 0.00 0.00 34.13 30.98 1a5e s GLU 10 CO 0.83 0.28 2.01 -0.35 0.02 0.00 0.00 175.26 178.05 1a5e n PRO 11 N 3.53 1.82 -0.09 0.39 -0.04 -1.26 -4.93 135.00 134.41 1a5e n PRO 11 Ca -0.16 -1.91 -0.12 0.00 -0.04 0.00 0.00 63.50 61.27 1a5e n PRO 11 Cb 0.52 -2.91 0.11 0.00 -0.04 0.00 0.00 33.50 31.19 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 6.77 -2.82 -0.52 3.54 7.64 -1.26 -3.73 113.62 123.24 1a5e n SER 12 Ca 0.50 -0.33 -0.07 0.00 1.01 0.00 0.00 58.87 59.98 1a5e n SER 12 Cb 0.36 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 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 -4.06 -0.10 -0.01 -0.43 0.00 -1.26 -4.82 120.51 109.82 1a5e n ALA 13 Ca -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1a5e n ALA 13 Cb 0.23 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.83 3.36 0.20 0.00 5.75 -1.24 -3.59 116.55 120.20 1a5e n ASP 14 Ca -0.07 -2.62 0.05 0.00 -0.01 0.00 0.00 54.79 52.15 1a5e n ASP 14 Cb 0.48 -0.63 0.44 0.00 -1.03 0.00 0.00 41.12 40.38 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 1a5e h TRP 15 N 1.28 0.00 -0.72 2.11 4.06 -1.92 -2.20 115.95 118.55 1a5e h TRP 15 Ca 0.15 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 1a5e h TRP 15 Cb 1.56 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.69 1a5e h TRP 15 CO 0.66 0.31 0.28 1.37 -3.56 0.00 0.00 178.44 177.50 1a5e h LEU 16 N 0.00 0.99 0.07 -4.49 8.10 -1.92 -1.07 115.31 116.99 1a5e h LEU 16 Ca -0.00 -0.15 -0.23 0.00 0.11 0.00 0.00 57.88 57.61 1a5e h LEU 16 Cb 0.63 -0.26 0.02 0.00 -0.44 0.00 0.00 40.66 40.61 1a5e h LEU 16 CO 0.04 0.89 -0.94 0.00 -4.11 0.00 0.00 178.44 174.32 1a5e h ALA 17 N 1.25 0.02 -0.88 0.17 0.00 -1.71 -2.62 119.26 115.50 1a5e h ALA 17 Ca 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a5e h ALA 17 Cb 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1a5e h ALA 17 CO -0.02 0.53 0.55 1.79 0.00 0.00 0.00 179.25 182.10 1a5e h THR 18 N 0.07 1.24 -0.19 0.00 1.35 -1.26 0.24 112.91 114.35 1a5e h THR 18 Ca -0.14 -0.49 -0.15 0.00 -0.55 0.00 0.00 66.41 65.09 1a5e h THR 18 Cb 1.65 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1a5e h THR 18 CO 0.18 0.24 -0.51 0.00 -0.25 0.00 0.00 175.52 175.18 1a5e h ALA 19 N 1.30 0.75 -0.27 6.62 0.00 -1.27 -2.81 119.26 123.58 1a5e h ALA 19 Ca 0.32 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1a5e h ALA 19 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a5e h ALA 19 CO -0.06 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 1a5e h ALA 20 N 1.02 0.37 -0.02 0.00 0.00 -1.01 -1.14 119.26 118.48 1a5e h ALA 20 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1a5e h ALA 20 Cb 1.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1a5e h ALA 20 CO 0.10 0.16 0.02 0.00 0.00 0.00 0.00 179.25 179.52 1a5e h ALA 21 N 0.79 1.95 -0.27 0.00 0.00 -0.93 0.70 119.26 121.50 1a5e h ALA 21 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a5e h ALA 21 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a5e h ALA 21 CO 0.02 -0.03 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 1a5e n ARG 22 N -4.44 2.17 -3.68 0.00 0.63 -1.03 -3.88 116.66 106.43 1a5e n ARG 22 Ca -0.02 -1.21 -0.21 0.00 -0.92 0.00 0.00 57.85 55.49 1a5e n ARG 22 Cb 0.11 -1.53 0.04 0.00 0.45 0.00 0.00 32.46 31.53 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a5e n GLY 23 N 0.63 -0.31 2.69 5.14 0.00 0.32 -4.94 105.19 108.72 1a5e n GLY 23 Ca 0.11 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.25 1.70 -0.21 1.61 3.00 -0.46 -4.94 116.66 113.11 1a5e n ARG 24 Ca -0.30 -4.29 0.02 0.00 -0.00 0.00 0.00 57.85 53.29 1a5e n ARG 24 Cb 0.68 -2.14 0.13 0.00 0.00 0.00 0.00 32.46 31.12 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 4.04 0.63 0.16 5.15 2.07 -1.92 -0.81 116.25 125.58 1a5e h VAL 25 Ca 0.17 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1a5e h VAL 25 Cb 0.76 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1a5e h VAL 25 CO 0.68 0.05 -0.49 -0.33 0.02 0.00 0.00 177.57 177.50 1a5e h GLU 26 N 0.29 -0.71 -0.93 1.57 4.39 -1.96 1.22 114.58 118.45 1a5e h GLU 26 Ca 0.34 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.22 1a5e h GLU 26 Cb 0.51 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 1a5e h GLU 26 CO -0.41 -0.48 0.59 0.93 -1.16 0.00 0.00 179.01 178.48 1a5e h GLU 27 N -0.74 0.78 0.33 2.33 4.39 -1.81 -1.29 114.58 118.57 1a5e h GLU 27 Ca -0.01 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1a5e h GLU 27 Cb 0.73 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1a5e h GLU 27 CO -0.24 0.51 -0.16 0.28 -1.16 0.00 0.00 179.01 178.24 1a5e h VAL 28 N 0.80 0.48 -0.84 3.13 2.07 0.18 0.34 116.25 122.40 1a5e h VAL 28 Ca 0.46 -0.73 0.21 0.00 0.82 0.00 0.00 66.70 67.47 1a5e h VAL 28 Cb 0.63 0.76 -0.14 0.00 -1.52 0.00 0.00 31.29 31.02 1a5e h VAL 28 CO -0.23 0.11 0.19 0.03 0.02 0.00 0.00 177.57 177.69 1a5e h ARG 29 N -0.95 0.20 0.03 1.57 2.47 0.19 0.32 114.38 118.21 1a5e h ARG 29 Ca -0.05 -0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 58.41 1a5e h ARG 29 Cb 0.52 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1a5e h ARG 29 CO 0.08 0.13 -1.03 0.00 0.56 0.00 0.00 179.97 179.70 1a5e h ALA 30 N 1.75 0.25 0.25 0.04 0.00 -1.26 -2.98 119.26 117.30 1a5e h ALA 30 Ca 0.51 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1a5e h ALA 30 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a5e h ALA 30 CO -0.64 0.79 -0.12 -0.07 0.00 0.00 0.00 179.25 179.22 1a5e h LEU 31 N 0.25 -0.28 -0.92 0.00 3.38 0.30 1.11 115.31 119.15 1a5e h LEU 31 Ca -0.11 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.13 1a5e h LEU 31 Cb 1.69 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 42.36 1a5e h LEU 31 CO 0.19 -0.19 0.30 0.25 0.09 0.00 0.00 178.44 179.08 1a5e h LEU 32 N -0.36 0.08 -0.03 1.67 7.12 -0.70 1.16 115.31 124.25 1a5e h LEU 32 Ca -0.03 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1a5e h LEU 32 Cb 0.25 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1a5e h LEU 32 CO 0.06 -0.18 0.00 -0.08 -0.13 0.00 0.00 178.44 178.10 1a5e h GLU 33 N 0.20 0.00 -0.00 1.25 4.81 -1.41 -3.18 114.58 116.25 1a5e h GLU 33 Ca 0.61 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1a5e h GLU 33 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1a5e h GLU 33 CO -0.68 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 177.58 1a5e n ALA 34 N -1.95 2.47 0.00 2.92 0.00 0.40 -4.83 120.51 119.53 1a5e n ALA 34 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1a5e n ALA 34 Cb 0.48 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.41 -0.34 3.44 0.00 0.00 -0.96 -5.04 105.19 103.69 1a5e n GLY 35 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.13 -2.18 4.61 0.00 -1.03 -4.95 120.51 114.84 1a5e n ALA 36 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1a5e n ALA 36 Cb 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.88 3.88 -0.10 0.00 1.43 -1.24 -4.89 118.68 116.88 1a5e s LEU 37 Ca 0.60 1.16 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 1a5e s LEU 37 Cb -0.26 -4.02 -0.15 0.00 0.03 0.00 0.00 46.19 41.79 1a5e s LEU 37 CO 0.63 -0.36 0.58 1.55 0.23 0.00 0.00 176.35 178.99 1a5e h PRO 38 N 1.47 -0.08 -0.91 1.29 0.13 -1.93 -3.35 132.00 128.62 1a5e h PRO 38 Ca -0.47 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.03 1a5e h PRO 38 Cb 1.18 0.02 -0.34 0.00 0.13 0.00 0.00 31.00 31.99 1a5e h PRO 38 CO 0.64 0.42 0.25 0.09 -0.23 0.00 0.00 178.00 179.17 1a5e n ASN 39 N -4.77 6.68 -4.70 1.44 4.13 -1.20 -3.63 115.26 113.21 1a5e n ASN 39 Ca -0.06 -3.78 -0.42 0.00 1.68 0.00 0.00 54.58 52.00 1a5e n ASN 39 Cb 0.26 -0.74 -0.03 0.00 -1.54 0.00 0.00 39.78 37.73 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a5e s ALA 40 N -3.75 3.79 0.54 5.41 0.00 -1.26 -4.96 121.76 121.54 1a5e s ALA 40 Ca 0.60 1.43 -0.19 0.00 0.00 0.00 0.00 51.96 53.80 1a5e s ALA 40 Cb 0.47 -3.72 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1a5e s ALA 40 CO 0.01 -1.09 1.07 -1.25 0.00 0.00 0.00 175.76 174.50 1a5e s PRO 41 N 2.22 3.49 0.40 0.00 0.04 -1.26 -4.51 135.00 135.38 1a5e s PRO 41 Ca 0.77 1.40 0.05 0.00 0.04 0.00 0.00 61.00 63.27 1a5e s PRO 41 Cb -0.46 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 1a5e s PRO 41 CO 0.34 -0.70 0.03 -0.80 0.04 0.00 0.00 177.00 175.91 1a5e s ASN 42 N -2.14 3.49 0.00 6.66 0.02 -1.26 -4.76 114.94 116.94 1a5e s ASN 42 Ca 0.68 -1.43 0.29 0.00 -1.02 0.00 0.00 52.86 51.38 1a5e s ASN 42 Cb -0.19 -0.14 1.23 0.00 0.02 0.00 0.00 41.25 42.17 1a5e s ASN 42 CO 0.27 -0.57 1.86 -1.20 0.02 0.00 0.00 177.10 177.48 1a5e n SER 43 N -0.96 0.51 -0.64 -1.22 7.64 -1.26 -3.40 113.62 114.29 1a5e n SER 43 Ca -0.06 -0.63 0.11 0.00 1.01 0.00 0.00 58.87 59.30 1a5e n SER 43 Cb 0.67 -0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.84 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 -0.91 0.00 -2.33 1.43 4.01 -1.26 -4.95 117.16 113.16 1a5e n TYR 44 Ca 0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.72 1a5e n TYR 44 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.35 -0.29 1.94 2.72 0.00 -1.22 -4.85 105.19 104.84 1a5e n GLY 45 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1a5e n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 46 N -2.83 3.49 -0.90 1.61 0.63 -1.26 -4.76 116.66 112.63 1a5e n ARG 46 Ca -0.20 -4.11 0.09 0.00 -0.92 0.00 0.00 57.85 52.71 1a5e n ARG 46 Cb 0.64 -2.24 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 1a5e n ARG 46 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1a5e n ARG 47 N -0.74 -1.51 0.21 -0.14 5.12 -1.26 -1.95 116.66 116.39 1a5e n ARG 47 Ca 0.43 1.09 0.13 0.00 -1.93 0.00 0.00 57.85 57.57 1a5e n ARG 47 Cb 0.95 -2.00 0.36 0.00 -1.16 0.00 0.00 32.46 30.61 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1a5e h PRO 48 N -1.05 0.00 0.00 5.56 0.13 -1.90 -3.29 132.00 131.44 1a5e h PRO 48 Ca -0.03 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.77 1a5e h PRO 48 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1a5e h PRO 48 CO 0.02 0.00 -2.16 -0.89 -0.23 0.00 0.00 178.00 174.74 1a5e n ILE 49 N -2.88 1.14 0.01 -3.56 5.41 -1.26 -4.04 119.36 114.18 1a5e n ILE 49 Ca 0.03 -0.33 0.22 0.00 1.00 0.00 0.00 62.75 63.67 1a5e n ILE 49 Cb 0.44 -1.62 0.63 0.00 -0.71 0.00 0.00 39.64 38.38 1a5e n ILE 49 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1a5e h GLN 50 N -0.54 0.00 -0.03 0.38 4.20 -1.65 1.25 115.11 118.71 1a5e h GLN 50 Ca -0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1a5e h GLN 50 Cb 1.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1a5e h GLN 50 CO -0.25 0.00 -0.10 1.55 -0.67 0.00 0.00 178.83 179.36 1a5e n VAL 51 N -3.47 0.00 -2.54 -0.54 3.14 -0.82 -4.93 118.33 109.17 1a5e n VAL 51 Ca 0.12 -0.45 -0.39 0.00 -2.96 0.00 0.00 64.34 60.65 1a5e n VAL 51 Cb 0.92 1.45 -0.05 0.00 -1.06 0.00 0.00 33.84 35.10 1a5e n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s MET 52 N -2.10 4.59 -0.02 1.45 0.23 0.43 -3.65 119.30 120.23 1a5e s MET 52 Ca 0.26 1.69 -0.35 0.00 -1.03 0.00 0.00 55.69 56.26 1a5e s MET 52 Cb 0.20 -3.08 -0.13 0.00 -1.53 0.00 0.00 34.83 30.28 1a5e s MET 52 CO 0.36 0.20 1.75 -0.12 -2.03 0.00 0.00 175.02 175.18 1a5e n MET 53 N 1.01 2.04 -0.79 3.16 1.56 0.22 -4.72 117.12 119.59 1a5e n MET 53 Ca -0.00 0.74 -0.08 0.00 -0.27 0.00 0.00 57.70 58.09 1a5e n MET 53 Cb 0.46 -2.54 -0.06 0.00 2.15 0.00 0.00 33.22 33.23 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 5.36 1.54 0.00 2.12 2.81 -1.26 -3.28 117.12 124.41 1a5e n MET 54 Ca 0.21 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 1a5e n MET 54 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.64 -0.44 2.52 3.03 0.00 -1.26 -4.68 105.19 106.00 1a5e n GLY 55 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.21 3.01 0.11 1.61 0.01 -1.21 -4.96 113.70 112.06 1a5e s SER 56 Ca 0.00 -2.40 0.09 0.00 1.31 0.00 0.00 55.95 54.95 1a5e s SER 56 Cb 0.00 -0.57 0.46 0.00 0.21 0.00 0.00 66.02 66.12 1a5e s SER 56 CO 0.00 -0.28 1.28 0.00 0.41 0.00 0.00 173.24 174.65 1a5e n ALA 57 N 3.78 1.11 -0.04 1.44 0.00 -1.26 -2.20 120.51 123.35 1a5e n ALA 57 Ca 0.13 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1a5e n ALA 57 Cb 0.37 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 0.23 -0.32 0.00 3.08 -1.97 -3.11 114.38 112.28 1a5e h ARG 58 Ca 0.00 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1a5e h ARG 58 Cb 0.04 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1a5e h ARG 58 CO 0.00 0.72 -0.41 0.28 -1.07 0.00 0.00 179.97 179.49 1a5e h VAL 59 N -0.23 0.00 -0.97 2.04 2.07 -1.79 0.28 116.25 117.64 1a5e h VAL 59 Ca 0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 1a5e h VAL 59 Cb 0.71 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.36 1a5e h VAL 59 CO 0.03 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.16 1a5e h ALA 60 N -0.36 1.66 -0.74 1.67 0.00 -1.73 0.71 119.26 120.46 1a5e h ALA 60 Ca 0.06 0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.30 1a5e h ALA 60 Cb 0.42 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1a5e h ALA 60 CO -0.45 -0.23 0.66 1.49 0.00 0.00 0.00 179.25 180.72 1a5e h GLU 61 N 0.58 0.00 0.00 0.00 4.22 -0.38 1.08 114.58 120.07 1a5e h GLU 61 Ca 0.60 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.91 1a5e h GLU 61 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1a5e h GLU 61 CO -0.46 0.00 -0.94 -0.11 -2.18 0.00 0.00 179.01 175.32 1a5e n LEU 62 N -3.87 1.84 -0.17 1.64 7.94 0.24 -2.08 117.00 122.53 1a5e n LEU 62 Ca 0.15 0.52 -0.02 0.00 -1.11 0.00 0.00 56.01 55.55 1a5e n LEU 62 Cb 0.93 -0.92 0.07 0.00 0.53 0.00 0.00 43.42 44.03 1a5e n LEU 62 CO 0.32 -0.06 0.98 -0.07 -1.11 0.00 0.00 177.39 177.45 1a5e h LEU 63 N -1.00 0.21 -0.36 -1.96 3.38 -0.49 0.47 115.31 115.56 1a5e h LEU 63 Ca -0.20 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1a5e h LEU 63 Cb 0.95 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1a5e h LEU 63 CO -0.12 0.15 -0.33 0.25 0.09 0.00 0.00 178.44 178.48 1a5e h LEU 64 N 0.39 0.91 -1.64 1.67 6.46 0.98 0.92 115.31 125.00 1a5e h LEU 64 Ca 0.26 -0.46 0.16 0.00 -0.12 0.00 0.00 57.88 57.71 1a5e h LEU 64 Cb 0.27 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1a5e h LEU 64 CO -0.25 1.18 0.50 0.25 -0.62 0.00 0.00 178.44 179.50 1a5e h LEU 65 N 0.65 0.33 0.04 2.25 5.85 -0.69 -2.51 115.31 121.23 1a5e h LEU 65 Ca 0.06 0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.51 1a5e h LEU 65 Cb 0.91 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1a5e h LEU 65 CO 0.08 0.17 -1.57 1.41 -0.34 0.00 0.00 178.44 178.19 1a5e n HIS 66 N -4.46 1.01 0.00 1.25 8.25 0.05 -5.01 115.22 116.30 1a5e n HIS 66 Ca 0.14 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1a5e n HIS 66 Cb 0.56 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.56 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 1.59 -0.48 0.00 -1.41 0.00 0.28 -4.96 105.19 100.21 1a5e n GLY 67 Ca -0.34 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 4.61 0.00 0.10 -3.24 120.51 119.26 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 3.40 0.13 0.00 2.13 -1.26 -4.70 120.64 120.34 1a5e n GLU 69 Ca 0.00 -4.68 0.12 0.00 0.66 0.00 0.00 57.16 53.26 1a5e n GLU 69 Cb 0.00 -2.25 0.49 0.00 0.27 0.00 0.00 31.44 29.95 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1a5e n PRO 70 N -0.34 0.21 -0.05 5.31 -0.04 -1.26 -3.92 135.00 134.90 1a5e n PRO 70 Ca 0.35 0.41 -0.04 0.00 -0.04 0.00 0.00 63.50 64.18 1a5e n PRO 70 Cb 0.49 -1.88 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 1a5e n PRO 70 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a5e n ASN 71 N -2.27 1.11 -4.58 3.54 5.15 -1.26 -4.15 115.26 112.80 1a5e n ASN 71 Ca 0.02 0.29 -0.37 0.00 -0.60 0.00 0.00 54.58 53.92 1a5e n ASN 71 Cb 0.25 -0.67 0.06 0.00 -0.53 0.00 0.00 39.78 38.89 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5e n ALA 73 N -1.94 0.00 -2.81 0.00 0.00 -1.26 -4.53 120.51 109.97 1a5e n ALA 73 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1a5e n ALA 73 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 1.00 5.98 0.00 0.00 -1.08 -1.24 -4.89 116.67 116.45 1a5e s ASP 74 Ca 0.00 0.30 0.24 0.00 -0.52 0.00 0.00 52.55 52.57 1a5e s ASP 74 Cb 0.00 -1.93 1.31 0.00 -1.46 0.00 0.00 42.92 40.84 1a5e s ASP 74 CO 0.00 0.33 1.80 -0.81 0.52 0.00 0.00 175.17 177.00 1a5e n PRO 75 N 2.52 0.52 -0.01 4.34 -0.04 -1.26 0.25 135.00 141.33 1a5e n PRO 75 Ca -0.19 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1a5e n PRO 75 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1a5e n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e h ALA 76 N 3.29 0.69 0.00 0.55 0.00 -1.99 -3.41 119.26 118.39 1a5e h ALA 76 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 54.91 53.50 1a5e h ALA 76 Cb 0.12 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1a5e h ALA 76 CO 0.00 1.52 -0.31 2.41 0.00 0.00 0.00 179.25 182.87 1a5e n THR 77 N -3.12 0.00 -2.83 0.00 -1.04 -1.15 -4.96 114.28 101.19 1a5e n THR 77 Ca -0.15 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1a5e n THR 77 Cb 1.04 0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 69.85 1a5e n THR 77 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a5e n LEU 78 N 0.05 -0.22 -4.55 -4.42 4.77 0.70 -1.70 117.00 111.62 1a5e n LEU 78 Ca -0.03 -0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.53 1a5e n LEU 78 Cb 0.65 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1a5e n LEU 78 CO -0.02 0.03 1.62 -0.89 -1.33 0.00 0.00 177.39 176.80 1a5e s THR 79 N -2.11 3.34 0.95 -5.08 2.01 -1.24 -4.15 115.64 109.35 1a5e s THR 79 Ca 0.23 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.31 1a5e s THR 79 Cb -0.13 -3.89 0.16 0.00 0.01 0.00 0.00 72.50 68.64 1a5e s THR 79 CO 0.28 -0.86 1.09 -0.60 -0.69 0.00 0.00 174.62 173.84 1a5e s ARG 80 N 7.06 0.86 0.50 4.92 6.06 -1.26 -3.64 118.95 133.44 1a5e s ARG 80 Ca 0.69 0.70 0.29 0.00 -2.50 0.00 0.00 55.73 54.91 1a5e s ARG 80 Cb -0.13 -1.77 1.02 0.00 0.06 0.00 0.00 34.95 34.12 1a5e s ARG 80 CO 0.21 -2.48 1.86 -1.00 -2.50 0.00 0.00 175.30 171.38 1a5e h PRO 81 N -1.72 0.00 -0.62 5.12 0.13 -1.79 -2.96 132.00 130.15 1a5e h PRO 81 Ca -0.52 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.78 1a5e h PRO 81 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1a5e h PRO 81 CO 0.56 0.07 0.44 0.28 -0.23 0.00 0.00 178.00 179.11 1a5e h VAL 82 N 0.00 0.73 -0.19 1.56 2.07 -1.86 0.61 116.25 119.16 1a5e h VAL 82 Ca -0.00 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 1a5e h VAL 82 Cb 0.69 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1a5e h VAL 82 CO 0.01 0.02 -0.42 0.45 0.02 0.00 0.00 177.57 177.65 1a5e h HIS 83 N 0.09 0.80 -0.66 1.57 3.86 -1.88 -3.07 115.15 115.86 1a5e h HIS 83 Ca 0.30 -0.29 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1a5e h HIS 83 Cb 1.06 -0.14 -0.11 0.00 1.06 0.00 0.00 27.41 29.28 1a5e h HIS 83 CO -0.00 1.06 0.05 0.22 0.86 0.00 0.00 177.93 180.12 1a5e h ASP 84 N 0.31 -0.20 0.06 2.45 3.58 -1.02 1.38 116.42 122.97 1a5e h ASP 84 Ca 0.00 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1a5e h ASP 84 Cb 1.03 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1a5e h ASP 84 CO 0.09 -0.10 -0.03 0.00 -2.88 0.00 0.00 179.24 176.33 1a5e h ALA 85 N 1.59 -1.01 -0.86 -0.78 0.00 -1.47 -3.00 119.26 113.73 1a5e h ALA 85 Ca 0.36 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1a5e h ALA 85 Cb 0.59 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1a5e h ALA 85 CO -0.53 -1.00 0.55 0.00 0.00 0.00 0.00 179.25 178.27 1a5e h ALA 86 N -1.95 1.14 -0.96 0.00 0.00 -1.41 0.61 119.26 116.69 1a5e h ALA 86 Ca -0.01 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.14 1a5e h ALA 86 Cb 0.06 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 17.42 1a5e h ALA 86 CO 0.01 0.39 0.46 -0.09 0.00 0.00 0.00 179.25 180.02 1a5e h ARG 87 N 1.07 0.33 -0.36 0.00 9.65 0.18 0.83 114.38 126.08 1a5e h ARG 87 Ca 0.35 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.21 1a5e h ARG 87 Cb 0.02 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1a5e h ARG 87 CO -0.12 0.22 0.00 -1.91 2.80 0.00 0.00 179.97 180.96 1a5e n GLU 88 N -5.08 2.35 -2.11 0.20 4.07 -0.98 -4.92 120.64 114.18 1a5e n GLU 88 Ca 0.27 -2.04 0.00 0.00 -0.06 0.00 0.00 57.16 55.33 1a5e n GLU 88 Cb 0.83 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a5e n GLY 89 N 1.43 0.67 3.26 8.31 0.00 0.29 -5.02 105.19 114.14 1a5e n GLY 89 Ca 0.19 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.41 3.41 -0.01 1.61 5.36 0.21 -4.89 117.98 121.26 1a5e s PHE 90 Ca 0.00 -1.71 -0.14 0.00 -0.96 0.00 0.00 56.93 54.12 1a5e s PHE 90 Cb 0.00 -3.66 -0.33 0.00 -0.34 0.00 0.00 43.02 38.69 1a5e s PHE 90 CO 0.00 -1.00 0.83 1.25 -1.46 0.00 0.00 175.22 174.85 1a5e h LEU 91 N 8.43 0.73 -0.48 6.12 6.46 -1.93 -3.26 115.31 131.39 1a5e h LEU 91 Ca -0.18 -0.93 0.08 0.00 -0.12 0.00 0.00 57.88 56.73 1a5e h LEU 91 Cb 1.07 -0.24 -0.10 0.00 -0.73 0.00 0.00 40.66 40.67 1a5e h LEU 91 CO 0.91 1.74 -0.41 0.44 -0.62 0.00 0.00 178.44 180.50 1a5e h ASP 92 N 0.11 -1.37 -0.77 1.25 3.32 -1.97 0.41 116.42 117.40 1a5e h ASP 92 Ca -0.30 0.22 0.11 0.00 0.02 0.00 0.00 57.03 57.08 1a5e h ASP 92 Cb 2.12 0.62 -0.08 0.00 0.22 0.00 0.00 39.33 42.21 1a5e h ASP 92 CO 0.22 -0.35 0.39 0.74 -1.72 0.00 0.00 179.24 178.53 1a5e h THR 93 N -0.27 0.83 -0.97 0.35 2.02 -1.85 0.32 112.91 113.33 1a5e h THR 93 Ca 0.17 -0.22 0.24 0.00 0.77 0.00 0.00 66.41 67.37 1a5e h THR 93 Cb 0.57 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.04 1a5e h THR 93 CO -0.62 0.12 0.65 0.25 0.37 0.00 0.00 175.52 176.29 1a5e h LEU 94 N 0.64 0.33 -0.09 2.58 5.85 -0.26 0.28 115.31 124.63 1a5e h LEU 94 Ca 0.39 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 59.05 1a5e h LEU 94 Cb 0.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1a5e h LEU 94 CO -0.29 0.10 -0.35 0.58 -0.34 0.00 0.00 178.44 178.14 1a5e h VAL 95 N 0.31 1.40 -0.31 1.05 2.07 0.75 -2.95 116.25 118.57 1a5e h VAL 95 Ca 0.51 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1a5e h VAL 95 Cb 1.45 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1a5e h VAL 95 CO -0.17 0.50 0.18 0.58 0.02 0.00 0.00 177.57 178.67 1a5e h VAL 96 N -0.06 1.12 -0.63 2.57 2.07 -0.02 0.45 116.25 121.76 1a5e h VAL 96 Ca -0.02 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1a5e h VAL 96 Cb 0.98 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1a5e h VAL 96 CO 0.07 0.12 0.19 -0.07 0.02 0.00 0.00 177.57 177.90 1a5e h LEU 97 N 0.39 0.13 0.00 2.57 -0.00 -0.64 0.74 115.31 118.50 1a5e h LEU 97 Ca 0.11 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1a5e h LEU 97 Cb 0.03 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1a5e h LEU 97 CO -0.02 0.07 -0.28 1.57 -0.00 0.00 0.00 178.44 179.78 1a5e n HIS 98 N -5.06 0.44 0.84 1.13 -0.00 -1.04 -2.27 115.22 109.25 1a5e n HIS 98 Ca 0.10 0.13 0.14 0.00 0.46 0.00 0.00 57.72 58.54 1a5e n HIS 98 Cb 0.32 -0.63 0.53 0.00 -0.12 0.00 0.00 29.99 30.09 1a5e n HIS 98 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1a5e n ARG 99 N -1.90 0.11 0.04 1.57 1.74 0.16 -4.60 116.66 113.78 1a5e n ARG 99 Ca 0.05 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1a5e n ARG 99 Cb 0.39 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a5e n ALA 100 N -1.62 3.00 -3.15 7.54 0.00 -0.88 -5.04 120.51 120.36 1a5e n ALA 100 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1a5e n ALA 100 Cb 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1a5e n ALA 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a5e s GLY 101 N -3.90 -0.57 -0.29 0.00 0.00 -1.03 -5.12 107.32 96.41 1a5e s GLY 101 Ca 0.00 2.45 -0.16 0.00 0.00 0.00 0.00 44.72 47.01 1a5e s GLY 101 CO 0.00 3.76 0.95 0.00 0.00 0.00 0.00 173.10 177.81 1a5e s ALA 102 N 2.93 -2.31 -0.40 3.20 0.00 -0.96 -4.41 121.76 119.81 1a5e s ALA 102 Ca 0.07 2.20 -0.21 0.00 0.00 0.00 0.00 51.96 54.02 1a5e s ALA 102 Cb -0.10 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.29 1a5e s ALA 102 CO -0.15 -0.45 0.67 0.50 0.00 0.00 0.00 175.76 176.33 1a5e s ARG 103 N 1.55 3.49 0.00 0.00 6.06 -1.26 -4.67 118.95 124.12 1a5e s ARG 103 Ca -0.08 -0.12 0.19 0.00 -2.50 0.00 0.00 55.73 53.22 1a5e s ARG 103 Cb -0.04 -3.88 0.35 0.00 0.06 0.00 0.00 34.95 31.43 1a5e s ARG 103 CO -0.16 -0.90 1.28 1.47 -2.50 0.00 0.00 175.30 174.49 1a5e n LEU 104 N 6.24 3.11 -2.39 -0.88 -0.00 -1.26 -4.44 117.00 117.38 1a5e n LEU 104 Ca -0.01 -1.52 -0.35 0.00 -0.00 0.00 0.00 56.01 54.13 1a5e n LEU 104 Cb 0.48 -0.21 0.07 0.00 -0.00 0.00 0.00 43.42 43.77 1a5e n LEU 104 CO 0.52 0.68 1.45 0.47 -0.00 0.00 0.00 177.39 180.52 1a5e n ASP 105 N 1.16 7.66 -4.92 1.45 9.92 -1.26 -4.73 116.55 125.83 1a5e n ASP 105 Ca 0.16 -3.79 -0.26 0.00 -0.53 0.00 0.00 54.79 50.37 1a5e n ASP 105 Cb 0.52 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 1a5e n ASP 105 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1a5e s VAL 106 N -4.86 1.70 0.02 2.53 0.11 -1.26 -5.09 120.40 113.55 1a5e s VAL 106 Ca 0.63 -1.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.29 1a5e s VAL 106 Cb 0.50 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 1a5e s VAL 106 CO -0.06 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 171.59 1a5e s ARG 107 N -4.32 0.88 -0.59 1.54 1.70 -1.26 -4.45 118.95 112.45 1a5e s ARG 107 Ca 0.37 -0.61 -0.24 0.00 -0.47 0.00 0.00 55.73 54.79 1a5e s ARG 107 Cb -0.03 -0.86 -0.21 0.00 -0.57 0.00 0.00 34.95 33.29 1a5e s ARG 107 CO 0.23 0.22 1.85 -0.25 -1.08 0.00 0.00 175.30 176.27 1a5e n ASP 108 N 2.24 2.18 0.00 -2.89 9.92 -0.45 -4.68 116.55 122.87 1a5e n ASP 108 Ca -0.17 -2.63 0.00 0.00 -0.53 0.00 0.00 54.79 51.46 1a5e n ASP 108 Cb 0.55 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 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 7.78 0.00 -0.60 2.24 0.00 -0.69 -3.89 120.51 125.36 1a5e n ALA 109 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1a5e n ALA 109 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -1.75 0.00 8.01 -1.26 -4.88 117.44 117.56 1a5e n TRP 110 Ca 0.00 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1a5e n TRP 110 Cb 0.00 -0.20 -0.00 0.00 -2.01 0.00 0.00 31.31 29.10 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a5e n GLY 111 N -0.69 -0.54 3.51 6.99 0.00 -1.25 -5.06 105.19 108.15 1a5e n GLY 111 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1a5e n GLY 111 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5e s ARG 112 N 0.00 3.31 0.55 1.61 3.00 -1.26 -4.78 118.95 121.39 1a5e s ARG 112 Ca 0.00 -0.34 -0.10 0.00 -1.00 0.00 0.00 55.73 54.30 1a5e s ARG 112 Cb 0.01 -4.00 -0.04 0.00 0.00 0.00 0.00 34.95 30.91 1a5e s ARG 112 CO -0.00 -1.23 0.94 -0.51 0.00 0.00 0.00 175.30 174.50 1a5e s LEU 113 N 3.29 3.42 0.42 -0.88 2.01 -1.26 -1.35 118.68 124.33 1a5e s LEU 113 Ca 0.26 1.27 0.22 0.00 0.01 0.00 0.00 54.13 55.89 1a5e s LEU 113 Cb -0.14 -4.27 0.85 0.00 0.01 0.00 0.00 46.19 42.64 1a5e s LEU 113 CO 0.19 -0.73 1.80 1.55 1.01 0.00 0.00 176.35 180.17 1a5e h PRO 114 N 0.07 0.00 0.22 1.29 0.13 -1.85 -2.49 132.00 129.37 1a5e h PRO 114 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 1a5e h PRO 114 Cb 1.19 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.36 1a5e h PRO 114 CO 0.62 0.27 -1.40 -0.24 -0.23 0.00 0.00 178.00 177.02 1a5e h VAL 115 N 0.00 1.29 -0.00 1.56 3.04 -1.91 -2.66 116.25 117.56 1a5e h VAL 115 Ca -0.00 -2.63 -0.10 0.00 -1.01 0.00 0.00 66.70 62.96 1a5e h VAL 115 Cb 0.79 2.96 -0.01 0.00 -2.01 0.00 0.00 31.29 33.02 1a5e h VAL 115 CO 0.04 0.79 -0.46 -0.78 -1.01 0.00 0.00 177.57 176.14 1a5e h ASP 116 N 0.17 0.00 0.77 3.17 1.82 -1.90 -1.74 116.42 118.70 1a5e h ASP 116 Ca -0.24 -0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.18 1a5e h ASP 116 Cb 2.09 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 42.09 1a5e h ASP 116 CO 0.27 0.46 -1.00 0.25 -1.61 0.00 0.00 179.24 177.61 1a5e h LEU 117 N 0.00 0.18 -0.05 2.28 6.46 -1.50 -2.91 115.31 119.77 1a5e h LEU 117 Ca -0.00 -0.17 -0.13 0.00 -0.12 0.00 0.00 57.88 57.46 1a5e h LEU 117 Cb 0.82 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1a5e h LEU 117 CO 0.06 1.07 -0.48 0.00 -0.62 0.00 0.00 178.44 178.47 1a5e h ALA 118 N 0.91 0.12 -0.63 1.25 0.00 -1.27 -2.96 119.26 116.69 1a5e h ALA 118 Ca -0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a5e h ALA 118 Cb 1.70 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1a5e h ALA 118 CO 0.15 0.30 0.39 0.93 0.00 0.00 0.00 179.25 181.01 1a5e h GLU 119 N -0.08 0.84 0.83 0.00 5.08 -1.41 -2.24 114.58 117.60 1a5e h GLU 119 Ca -0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1a5e h GLU 119 Cb 1.16 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1a5e h GLU 119 CO 0.10 0.58 -0.40 0.93 -1.00 0.00 0.00 179.01 179.22 1a5e h GLU 120 N 0.86 -1.08 0.00 2.33 4.39 -1.51 -3.37 114.58 116.20 1a5e h GLU 120 Ca 0.23 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1a5e h GLU 120 Cb -0.05 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1a5e h GLU 120 CO -0.04 -0.71 0.00 1.28 -1.16 0.00 0.00 179.01 178.37 1a5e n LEU 121 N -5.53 0.00 0.00 1.33 7.99 -1.12 -4.91 117.00 114.76 1a5e n LEU 121 Ca -0.14 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1a5e n LEU 121 Cb 0.45 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 1a5e n LEU 121 CO 0.35 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 1a5e n GLY 122 N -0.47 0.00 2.67 -0.72 0.00 -0.99 -5.04 105.19 100.64 1a5e n GLY 122 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.38 -0.32 1.61 8.25 -0.88 -4.82 115.22 122.43 1a5e n HIS 123 Ca 0.00 -3.04 0.28 0.00 -0.26 0.00 0.00 57.72 54.71 1a5e n HIS 123 Cb 0.00 -0.49 0.61 0.00 1.12 0.00 0.00 29.99 31.23 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 2.86 0.21 -0.71 -0.41 2.47 -1.90 1.00 114.38 117.91 1a5e h ARG 124 Ca 0.35 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 59.00 1a5e h ARG 124 Cb 0.60 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 1a5e h ARG 124 CO 1.01 0.14 0.22 -0.44 0.56 0.00 0.00 179.97 181.46 1a5e h ASP 125 N 0.22 1.02 0.14 7.04 5.19 -1.96 0.31 116.42 128.38 1a5e h ASP 125 Ca 0.59 -0.18 -0.27 0.00 -0.62 0.00 0.00 57.03 56.55 1a5e h ASP 125 Cb 1.85 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 41.11 1a5e h ASP 125 CO -0.19 0.94 -1.31 0.58 -3.12 0.00 0.00 179.24 176.15 1a5e h VAL 126 N 1.05 1.16 -0.32 -1.35 2.07 0.28 -3.04 116.25 116.10 1a5e h VAL 126 Ca 0.23 -2.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.24 1a5e h VAL 126 Cb 0.29 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1a5e h VAL 126 CO -0.01 0.73 0.03 0.00 0.02 0.00 0.00 177.57 178.34 1a5e h ALA 127 N 0.02 1.45 0.15 1.67 0.00 0.46 -0.36 119.26 122.66 1a5e h ALA 127 Ca -0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1a5e h ALA 127 Cb 1.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1a5e h ALA 127 CO 0.11 0.39 -0.07 -0.09 0.00 0.00 0.00 179.25 179.60 1a5e h ARG 128 N 0.47 -0.19 -0.03 0.00 2.43 -0.47 -1.88 114.38 114.70 1a5e h ARG 128 Ca 0.11 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1a5e h ARG 128 Cb 0.26 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1a5e h ARG 128 CO 0.00 0.15 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.67 1a5e h TYR 129 N -0.56 0.04 0.75 2.20 5.03 -1.39 -2.36 116.97 120.69 1a5e h TYR 129 Ca -0.02 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.25 1a5e h TYR 129 Cb 0.43 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.70 1a5e h TYR 129 CO 0.04 0.07 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.52 1a5e h LEU 130 N 0.04 -0.85 -1.99 2.82 3.38 -0.82 0.12 115.31 118.02 1a5e h LEU 130 Ca 0.01 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1a5e h LEU 130 Cb 0.07 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a5e h LEU 130 CO 0.00 -0.48 0.35 -0.09 0.09 0.00 0.00 178.44 178.31 1a5e h ARG 131 N -1.26 0.00 0.00 1.13 2.43 -1.10 2.47 114.38 118.05 1a5e h ARG 131 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1a5e h ARG 131 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1a5e h ARG 131 CO 0.17 0.00 -0.28 0.00 -1.51 0.00 0.00 179.97 178.35 1a5e h ALA 132 N 1.35 0.00 0.00 2.80 0.00 -0.98 -1.18 119.26 121.25 1a5e h ALA 132 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a5e h ALA 132 Cb 0.73 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a5e h ALA 132 CO -0.00 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.50 1a5e n ALA 133 N -3.24 2.35 -1.69 0.00 0.00 0.39 -3.59 120.51 114.73 1a5e n ALA 133 Ca -0.04 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 1a5e n ALA 133 Cb 0.15 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.65 5.77 -0.81 0.00 0.00 0.83 -4.85 120.51 119.80 1a5e n ALA 134 Ca 0.06 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1a5e n ALA 134 Cb 0.39 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.79 -1.97 3.66 0.00 0.00 -1.24 -4.71 105.19 100.14 1a5e n GLY 135 Ca 0.54 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1a5e n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5e s GLY 136 N 0.00 1.99 0.24 -0.02 0.00 -0.45 -4.45 107.32 104.63 1a5e s GLY 136 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 1a5e s GLY 136 CO 0.00 0.43 0.58 -0.51 0.00 0.00 0.00 173.10 173.59 1a5e s THR 137 N 1.10 4.89 -0.09 0.90 -4.23 -1.26 -4.99 115.64 111.95 1a5e s THR 137 Ca 0.08 0.57 0.13 0.00 -1.18 0.00 0.00 61.69 61.30 1a5e s THR 137 Cb -0.14 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1a5e s THR 137 CO 0.05 -0.06 1.15 0.54 -0.54 0.00 0.00 174.62 175.76 1a5e n ARG 138 N -0.09 0.43 0.00 3.99 5.12 -1.26 -4.88 116.66 119.97 1a5e n ARG 138 Ca 0.00 -1.67 0.11 0.00 -1.93 0.00 0.00 57.85 54.37 1a5e n ARG 138 Cb 0.52 0.06 0.13 0.00 -1.16 0.00 0.00 32.46 32.02 1a5e n ARG 138 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a5e n GLY 139 N -0.16 -1.09 1.99 -0.13 0.00 -1.26 -5.05 105.19 99.48 1a5e n GLY 139 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.40 -8.31 -4.06 1.61 7.64 -1.26 -4.48 113.62 103.37 1a5e n SER 140 Ca 0.06 1.36 -0.29 0.00 1.01 0.00 0.00 58.87 61.01 1a5e n SER 140 Cb 0.34 -4.62 -0.03 0.00 -1.01 0.00 0.00 64.21 58.89 1a5e n SER 140 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a5e n ASN 141 N 1.65 -0.98 -1.23 6.43 4.13 -1.26 -4.91 115.26 119.09 1a5e n ASN 141 Ca 0.00 -1.03 -0.01 0.00 1.68 0.00 0.00 54.58 55.21 1a5e n ASN 141 Cb 0.00 -2.85 -0.00 0.00 -1.54 0.00 0.00 39.78 35.39 1a5e n ASN 141 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1a5e n HIS 142 N -4.42 -0.86 -2.68 3.10 8.25 -1.26 -5.11 115.22 112.25 1a5e n HIS 142 Ca -0.21 -0.25 -0.05 0.00 -0.26 0.00 0.00 57.72 56.95 1a5e n HIS 142 Cb 0.64 0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.89 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5e n ALA 143 N -2.72 -1.40 -0.79 -1.41 0.00 -1.26 -4.92 120.51 108.01 1a5e n ALA 143 Ca -0.02 -0.77 0.06 0.00 0.00 0.00 0.00 53.44 52.71 1a5e n ALA 143 Cb 0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1a5e n ALA 143 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1a5e n ARG 144 N -0.23 -0.92 -2.89 0.00 3.00 -1.26 -4.80 116.66 109.56 1a5e n ARG 144 Ca -0.13 0.60 -0.13 0.00 -0.00 0.00 0.00 57.85 58.19 1a5e n ARG 144 Cb 0.73 -1.12 0.02 0.00 0.00 0.00 0.00 32.46 32.09 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 -2.09 -0.20 -1.61 5.15 0.13 -1.26 -5.12 119.36 114.37 1a5e n ILE 145 Ca 0.00 -2.35 -0.63 0.00 -1.10 0.00 0.00 62.75 58.67 1a5e n ILE 145 Cb 0.21 0.46 -0.09 0.00 -0.84 0.00 0.00 39.64 39.38 1a5e n ILE 145 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1a5e n ASP 146 N 1.37 0.67 -4.59 9.51 9.92 -1.26 -4.71 116.55 127.46 1a5e n ASP 146 Ca 0.13 1.15 -0.52 0.00 -0.53 0.00 0.00 54.79 55.02 1a5e n ASP 146 Cb 0.61 -0.88 -0.06 0.00 -0.64 0.00 0.00 41.12 40.15 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e n ALA 147 N 2.87 -1.04 -1.66 2.24 0.00 -1.26 -4.81 120.51 116.84 1a5e n ALA 147 Ca 0.26 0.51 -0.45 0.00 0.00 0.00 0.00 53.44 53.76 1a5e n ALA 147 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 2.38 0.99 -1.35 0.00 0.00 -1.26 -4.95 120.51 116.32 1a5e n ALA 148 Ca 0.18 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 1a5e n ALA 148 Cb 0.19 -2.26 0.09 0.00 0.00 0.00 0.00 19.45 17.48 1a5e n ALA 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a5e s GLU 149 N -0.42 2.14 1.07 0.00 -6.30 -1.26 -4.81 118.70 109.12 1a5e s GLU 149 Ca 0.68 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 54.13 1a5e s GLU 149 Cb -0.66 -1.90 0.00 0.00 0.00 0.00 0.00 34.13 31.57 1a5e s GLU 149 CO 0.50 -1.67 0.00 0.41 0.02 0.00 0.00 175.26 174.52 1a5e n GLY 150 N -1.47 -1.28 3.71 -1.50 0.00 -1.26 -4.61 105.19 98.78 1a5e n GLY 150 Ca 0.08 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.06 4.33 -0.05 1.61 0.04 -1.26 -4.90 135.00 133.71 1a5e s PRO 151 Ca 0.00 1.98 0.13 0.00 0.04 0.00 0.00 61.00 63.15 1a5e s PRO 151 Cb 0.00 -3.38 0.46 0.00 0.04 0.00 0.00 34.50 31.62 1a5e s PRO 151 CO 0.00 -0.45 1.34 -1.13 0.04 0.00 0.00 177.00 176.80 1a5e n SER 152 N 4.43 3.03 -4.14 6.66 3.41 -1.26 -4.98 113.62 120.77 1a5e n SER 152 Ca 0.12 -2.18 -0.35 0.00 -0.26 0.00 0.00 58.87 56.20 1a5e n SER 152 Cb 0.43 -0.41 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1a5e n SER 152 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a5e n ASP 153 N 0.77 -4.47 -3.93 4.04 8.00 -1.26 -4.93 116.55 114.77 1a5e n ASP 153 Ca 0.17 0.21 -0.29 0.00 0.71 0.00 0.00 54.79 55.58 1a5e n ASP 153 Cb 0.54 -0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 1a5e n ASP 153 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1a5e s ILE 154 N -2.14 2.92 -0.45 0.53 -5.25 -1.26 -5.06 121.20 110.49 1a5e s ILE 154 Ca 0.46 -4.01 -0.29 0.00 -0.99 0.00 0.00 60.65 55.82 1a5e s ILE 154 Cb -0.17 -2.93 0.03 0.00 2.95 0.00 0.00 42.46 42.33 1a5e s ILE 154 CO 0.76 -0.96 1.10 -2.16 -1.79 0.00 0.00 174.94 171.90 1a5e s PRO 155 N -1.15 3.75 0.00 0.37 0.04 -1.26 -5.35 135.00 131.40 1a5e s PRO 155 Ca 0.23 0.59 0.15 0.00 0.04 0.00 0.00 61.00 62.00 1a5e s PRO 155 Cb -0.10 -3.88 0.12 0.00 0.04 0.00 0.00 34.50 30.67 1a5e s PRO 155 CO -0.12 -1.29 0.96 -3.47 0.04 0.00 0.00 177.00 173.12