#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e h GLU 2 N 0.00 -0.51 -7.00 0.03 4.39 -2.15 -3.44 114.58 105.90 1a5e h GLU 2 Ca 0.00 0.03 -0.49 0.00 0.34 0.00 0.00 59.36 59.25 1a5e h GLU 2 Cb 0.00 0.12 0.04 0.00 -0.10 0.00 0.00 28.75 28.80 1a5e h GLU 2 CO 0.00 -0.20 0.43 -1.25 -1.16 0.00 0.00 179.01 176.83 1a5e s PRO 3 N -4.22 3.91 -0.16 2.33 0.04 -1.26 -5.04 135.00 130.60 1a5e s PRO 3 Ca -0.13 1.58 -0.34 0.00 0.04 0.00 0.00 61.00 62.15 1a5e s PRO 3 Cb 0.01 -2.38 0.13 0.00 0.04 0.00 0.00 34.50 32.31 1a5e s PRO 3 CO 0.45 -0.38 1.20 0.00 0.04 0.00 0.00 177.00 178.32 1a5e s ALA 4 N -1.69 -2.08 0.00 8.56 0.00 -1.26 -5.14 121.76 120.15 1a5e s ALA 4 Ca 0.62 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1a5e s ALA 4 Cb -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1a5e s ALA 4 CO 0.28 -0.65 0.00 0.00 0.00 0.00 0.00 175.76 175.39 1a5e n ALA 5 N -0.14 0.00 -0.84 0.00 0.00 -1.26 -5.11 120.51 113.15 1a5e n ALA 5 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1a5e n ALA 5 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.18 3.27 0.00 0.00 -1.26 -5.06 105.19 101.96 1a5e n GLY 6 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1a5e n GLY 6 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 7 N -1.23 -4.43 -0.80 1.61 7.64 -1.26 -4.93 113.62 110.22 1a5e n SER 7 Ca 0.00 -0.65 -0.01 0.00 1.01 0.00 0.00 58.87 59.22 1a5e n SER 7 Cb 0.00 -5.04 -0.02 0.00 -1.01 0.00 0.00 64.21 58.15 1a5e n SER 7 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a5e n SER 8 N -3.13 -0.13 -3.16 6.43 3.41 -1.26 -4.97 113.62 110.82 1a5e n SER 8 Ca -0.17 -1.64 -0.38 0.00 -0.26 0.00 0.00 58.87 56.43 1a5e n SER 8 Cb 0.64 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 1a5e n SER 8 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1a5e n MET 9 N 0.08 3.85 -2.97 4.33 0.00 -1.26 -4.71 117.12 116.44 1a5e n MET 9 Ca -0.07 -3.61 -0.12 0.00 0.00 0.00 0.00 57.70 53.90 1a5e n MET 9 Cb 0.70 -2.37 -0.02 0.00 0.00 0.00 0.00 33.22 31.52 1a5e n MET 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1a5e n GLU 10 N 0.33 0.44 -2.53 2.12 4.71 -1.26 -5.07 120.64 119.39 1a5e n GLU 10 Ca 0.52 -2.41 -0.41 0.00 -0.01 0.00 0.00 57.16 54.86 1a5e n GLU 10 Cb 0.31 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.19 1a5e n GLU 10 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1a5e s PRO 11 N 0.55 3.65 0.46 3.49 0.04 -1.26 -4.98 135.00 136.94 1a5e s PRO 11 Ca 0.31 -1.40 -0.25 0.00 0.04 0.00 0.00 61.00 59.70 1a5e s PRO 11 Cb 0.03 -5.41 -0.08 0.00 0.04 0.00 0.00 34.50 29.08 1a5e s PRO 11 CO -0.11 -2.35 1.38 -1.12 0.04 0.00 0.00 177.00 174.85 1a5e s SER 12 N 4.91 5.86 0.06 6.66 0.01 -1.26 -4.86 113.70 125.07 1a5e s SER 12 Ca 0.51 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.59 1a5e s SER 12 Cb 0.01 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1a5e s SER 12 CO -0.02 -1.18 0.00 0.00 0.41 0.00 0.00 173.24 172.45 1a5e n ALA 13 N -0.29 1.08 0.86 1.44 0.00 -1.26 -4.85 120.51 117.50 1a5e n ALA 13 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1a5e n ALA 13 Cb 0.43 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.63 0.00 0.24 0.00 8.00 -1.26 -3.17 116.55 117.73 1a5e n ASP 14 Ca 0.00 0.07 0.14 0.00 0.71 0.00 0.00 54.79 55.71 1a5e n ASP 14 Cb 0.00 -0.31 0.76 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.00 0.00 0.31 1.24 4.06 -1.96 -1.75 115.95 117.85 1a5e h TRP 15 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1a5e h TRP 15 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1a5e h TRP 15 CO 0.00 0.00 -0.15 1.25 -3.56 0.00 0.00 178.44 175.98 1a5e h LEU 16 N 0.00 -0.36 -0.18 -4.49 5.85 -1.89 -2.75 115.31 111.49 1a5e h LEU 16 Ca 0.00 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 1a5e h LEU 16 Cb 0.26 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1a5e h LEU 16 CO 0.00 0.09 -0.43 0.00 -0.34 0.00 0.00 178.44 177.76 1a5e h ALA 17 N -0.51 0.30 -0.16 1.25 0.00 -1.65 -2.94 119.26 115.55 1a5e h ALA 17 Ca -0.04 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1a5e h ALA 17 Cb 0.52 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1a5e h ALA 17 CO 0.07 0.42 -0.41 1.15 0.00 0.00 0.00 179.25 180.48 1a5e h THR 18 N 0.28 0.00 -0.83 0.00 2.02 -1.44 0.24 112.91 113.19 1a5e h THR 18 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1a5e h THR 18 Cb 1.03 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 1a5e h THR 18 CO 0.09 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.39 1a5e h ALA 19 N -0.52 1.23 0.07 6.16 0.00 -1.57 -1.69 119.26 122.94 1a5e h ALA 19 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1a5e h ALA 19 Cb 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1a5e h ALA 19 CO -0.36 -0.12 -0.13 0.00 0.00 0.00 0.00 179.25 178.64 1a5e h ALA 20 N 1.56 -0.21 -0.54 0.00 0.00 -0.89 0.08 119.26 119.26 1a5e h ALA 20 Ca 0.45 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.50 1a5e h ALA 20 Cb 0.65 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1a5e h ALA 20 CO -0.37 -0.65 0.60 0.00 0.00 0.00 0.00 179.25 178.83 1a5e h ALA 21 N 0.63 2.29 -0.78 0.00 0.00 0.11 0.72 119.26 122.23 1a5e h ALA 21 Ca 0.02 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.54 1a5e h ALA 21 Cb 0.28 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 17.88 1a5e h ALA 21 CO -0.08 -0.88 0.40 0.54 0.00 0.00 0.00 179.25 179.23 1a5e n ARG 22 N -3.62 2.36 -4.24 0.00 1.74 -0.52 -3.80 116.66 108.59 1a5e n ARG 22 Ca 0.11 -3.07 -0.36 0.00 -0.77 0.00 0.00 57.85 53.76 1a5e n ARG 22 Cb 0.80 -2.08 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5e n GLY 23 N -1.00 -0.40 2.78 -0.13 0.00 0.25 -4.84 105.19 101.86 1a5e n GLY 23 Ca 0.49 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.36 4.08 -0.36 1.61 1.74 -0.10 -4.83 116.66 114.44 1a5e n ARG 24 Ca 0.01 -4.07 -0.00 0.00 -0.77 0.00 0.00 57.85 53.02 1a5e n ARG 24 Cb 0.52 -2.37 0.05 0.00 -1.02 0.00 0.00 32.46 29.64 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a5e n VAL 25 N -0.28 -0.49 -0.03 1.55 0.31 -1.26 -0.59 118.33 117.55 1a5e n VAL 25 Ca 0.51 2.21 -0.11 0.00 -0.01 0.00 0.00 64.34 66.93 1a5e n VAL 25 Cb 0.25 -2.93 -0.05 0.00 -0.91 0.00 0.00 33.84 30.19 1a5e n VAL 25 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1a5e h GLU 26 N 0.00 -0.41 -0.96 5.55 5.08 -1.98 0.93 114.58 122.80 1a5e h GLU 26 Ca 0.34 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.86 1a5e h GLU 26 Cb 0.58 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1a5e h GLU 26 CO -0.94 -0.27 0.61 1.49 -1.00 0.00 0.00 179.01 178.90 1a5e h GLU 27 N -0.42 0.87 0.25 2.33 4.57 -1.24 -2.58 114.58 118.35 1a5e h GLU 27 Ca 0.10 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1a5e h GLU 27 Cb 0.59 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1a5e h GLU 27 CO -0.42 0.57 -0.12 0.28 -1.18 0.00 0.00 179.01 178.14 1a5e h VAL 28 N 0.89 0.59 -0.97 0.32 2.07 0.37 -0.16 116.25 119.36 1a5e h VAL 28 Ca 0.48 -0.90 0.17 0.00 0.82 0.00 0.00 66.70 67.26 1a5e h VAL 28 Cb 0.56 0.96 -0.17 0.00 -1.52 0.00 0.00 31.29 31.13 1a5e h VAL 28 CO -0.24 0.14 -0.32 0.54 0.02 0.00 0.00 177.57 177.70 1a5e n ARG 29 N -5.01 -0.17 -0.02 1.57 3.00 0.30 0.10 116.66 116.42 1a5e n ARG 29 Ca -0.08 1.50 -0.13 0.00 -0.01 0.00 0.00 57.85 59.14 1a5e n ARG 29 Cb 0.25 -2.23 -0.11 0.00 0.00 0.00 0.00 32.46 30.37 1a5e n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a5e h ALA 30 N 1.58 -0.03 -0.37 7.54 0.00 -1.55 -3.02 119.26 123.41 1a5e h ALA 30 Ca 0.39 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1a5e h ALA 30 Cb 0.63 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1a5e h ALA 30 CO -0.98 -0.17 -0.44 -0.07 0.00 0.00 0.00 179.25 177.59 1a5e h LEU 31 N -0.72 -1.44 -0.49 0.00 3.38 0.64 1.38 115.31 118.06 1a5e h LEU 31 Ca -0.00 0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.28 1a5e h LEU 31 Cb 0.66 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 1a5e h LEU 31 CO 0.01 -0.38 -0.14 0.25 0.09 0.00 0.00 178.44 178.26 1a5e h LEU 32 N -0.36 -0.51 -1.05 1.67 7.12 -0.44 0.77 115.31 122.50 1a5e h LEU 32 Ca 0.12 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1a5e h LEU 32 Cb 0.59 0.33 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1a5e h LEU 32 CO -0.55 -0.18 0.00 -0.33 -0.13 0.00 0.00 178.44 177.25 1a5e h GLU 33 N -0.02 0.00 -0.00 1.25 5.08 -0.96 -2.19 114.58 117.74 1a5e h GLU 33 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1a5e h GLU 33 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1a5e h GLU 33 CO -0.52 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.44 1a5e n ALA 34 N -1.94 2.60 0.00 3.43 0.00 0.46 -4.84 120.51 120.22 1a5e n ALA 34 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1a5e n ALA 34 Cb 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.33 1.71 3.59 0.00 0.00 -0.71 -5.03 105.19 106.08 1a5e n GLY 35 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.29 -1.44 -2.61 4.61 0.00 -0.66 -4.92 120.51 115.19 1a5e n ALA 36 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 1a5e n ALA 36 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.26 1a5e n ALA 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1a5e s LEU 37 N -5.34 4.63 0.00 0.00 2.96 -1.19 -4.89 118.68 114.85 1a5e s LEU 37 Ca 0.65 -0.65 0.19 0.00 -0.22 0.00 0.00 54.13 54.10 1a5e s LEU 37 Cb -0.23 -2.10 0.97 0.00 0.50 0.00 0.00 46.19 45.33 1a5e s LEU 37 CO 0.61 -0.31 1.58 -0.81 -1.32 0.00 0.00 176.35 176.10 1a5e n PRO 38 N 5.08 0.30 -2.50 0.98 -0.04 -1.26 -3.07 135.00 134.50 1a5e n PRO 38 Ca -0.12 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 1a5e n PRO 38 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1a5e n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a5e n ASN 39 N -1.26 2.98 -4.74 3.54 3.02 -1.26 -3.00 115.26 114.55 1a5e n ASN 39 Ca 0.09 -2.75 -0.40 0.00 -0.03 0.00 0.00 54.58 51.49 1a5e n ASN 39 Cb 0.14 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5e s ALA 40 N -3.72 3.34 -0.98 5.41 0.00 -1.17 -4.97 121.76 119.67 1a5e s ALA 40 Ca 0.37 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 1a5e s ALA 40 Cb 0.36 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1a5e s ALA 40 CO -0.01 0.02 1.68 -1.25 0.00 0.00 0.00 175.76 176.21 1a5e s PRO 41 N 0.10 3.12 1.05 0.00 0.04 -1.26 -4.64 135.00 133.40 1a5e s PRO 41 Ca 0.40 -0.77 -0.12 0.00 0.04 0.00 0.00 61.00 60.55 1a5e s PRO 41 Cb -0.21 -5.23 0.22 0.00 0.04 0.00 0.00 34.50 29.32 1a5e s PRO 41 CO 0.23 -2.76 1.07 -0.80 0.04 0.00 0.00 177.00 174.79 1a5e s ASN 42 N 6.34 1.95 -0.07 6.66 0.02 -1.26 -4.87 114.94 123.70 1a5e s ASN 42 Ca 0.57 1.67 0.03 0.00 -1.02 0.00 0.00 52.86 54.12 1a5e s ASN 42 Cb -0.03 -2.33 0.22 0.00 0.02 0.00 0.00 41.25 39.13 1a5e s ASN 42 CO -0.05 -3.63 0.91 -1.54 0.02 0.00 0.00 177.10 172.81 1a5e n SER 43 N -4.55 2.45 -0.09 -1.22 3.41 -1.26 -3.60 113.62 108.76 1a5e n SER 43 Ca 0.06 -2.29 0.05 0.00 -0.26 0.00 0.00 58.87 56.44 1a5e n SER 43 Cb 0.54 -0.56 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.15 0.05 -1.83 7.33 4.01 -1.26 -4.95 117.16 120.66 1a5e n TYR 44 Ca 0.09 -0.76 -0.14 0.00 -0.16 0.00 0.00 57.90 56.93 1a5e n TYR 44 Cb 0.56 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5e n GLY 45 N -0.94 0.56 0.13 2.72 0.00 -1.24 -4.91 105.19 101.52 1a5e n GLY 45 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1a5e n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 46 N -2.30 1.78 -3.48 1.61 1.74 -1.26 -4.66 116.66 110.09 1a5e n ARG 46 Ca -0.15 -0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 56.61 1a5e n ARG 46 Cb 0.52 0.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.97 1a5e n ARG 46 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1a5e s ARG 47 N -2.07 2.79 0.12 5.56 1.81 -1.26 -4.46 118.95 121.44 1a5e s ARG 47 Ca 0.00 -1.28 0.16 0.00 -1.72 0.00 0.00 55.73 52.90 1a5e s ARG 47 Cb -0.00 -2.60 0.70 0.00 -0.45 0.00 0.00 34.95 32.60 1a5e s ARG 47 CO 0.00 -0.07 1.49 -0.35 -0.68 0.00 0.00 175.30 175.69 1a5e n PRO 48 N -1.59 0.08 -0.08 3.54 -0.04 -1.26 -2.98 135.00 132.66 1a5e n PRO 48 Ca 0.02 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.73 1a5e n PRO 48 Cb 0.60 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 1a5e n PRO 48 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a5e n ILE 49 N -1.82 0.96 0.28 0.52 5.41 -1.26 -4.38 119.36 119.07 1a5e n ILE 49 Ca 0.02 -0.33 0.13 0.00 1.00 0.00 0.00 62.75 63.57 1a5e n ILE 49 Cb 0.15 -1.27 0.60 0.00 -0.71 0.00 0.00 39.64 38.40 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 -0.18 0.00 -0.56 0.38 4.20 -1.88 0.35 115.11 117.43 1a5e h GLN 50 Ca -0.39 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.93 1a5e h GLN 50 Cb 1.53 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 29.04 1a5e h GLN 50 CO -0.12 0.00 -0.39 1.55 -0.67 0.00 0.00 178.83 179.21 1a5e n VAL 51 N -2.91 2.62 -0.99 -0.54 3.14 -1.18 -4.72 118.33 113.75 1a5e n VAL 51 Ca 0.01 -3.55 -0.24 0.00 -2.96 0.00 0.00 64.34 57.60 1a5e n VAL 51 Cb 0.61 -0.79 0.11 0.00 -1.06 0.00 0.00 33.84 32.71 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 2.19 -0.23 1.45 0.00 0.12 -1.02 117.12 118.73 1a5e n MET 52 Ca 0.39 -2.57 0.00 0.00 0.00 0.00 0.00 57.70 55.52 1a5e n MET 52 Cb 0.90 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 32.11 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 -0.68 0.00 -2.10 3.17 1.56 -1.18 -3.79 117.12 114.09 1a5e n MET 53 Ca 0.50 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.89 1a5e n MET 53 Cb 1.09 -3.27 -0.01 0.00 2.15 0.00 0.00 33.22 33.18 1a5e n MET 53 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1a5e n MET 54 N -2.00 -2.29 -0.03 2.12 2.81 -1.26 -4.65 117.12 111.82 1a5e n MET 54 Ca 0.00 0.20 0.01 0.00 -1.81 0.00 0.00 57.70 56.10 1a5e n MET 54 Cb 0.00 -4.60 0.02 0.00 -0.71 0.00 0.00 33.22 27.93 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 -0.45 1.78 2.80 3.03 0.00 -1.25 -4.62 105.19 106.49 1a5e n GLY 55 Ca -0.04 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.00 1.05 0.41 1.61 0.01 -1.26 -5.00 113.70 109.52 1a5e s SER 56 Ca 0.04 -1.26 0.09 0.00 1.31 0.00 0.00 55.95 56.13 1a5e s SER 56 Cb 0.03 0.68 0.91 0.00 0.21 0.00 0.00 66.02 67.85 1a5e s SER 56 CO 0.00 -0.29 2.02 0.00 0.41 0.00 0.00 173.24 175.38 1a5e h ALA 57 N 7.40 1.82 -0.88 1.44 0.00 -1.91 -1.70 119.26 125.43 1a5e h ALA 57 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1a5e h ALA 57 Cb 1.07 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1a5e h ALA 57 CO 0.23 0.11 0.47 0.00 0.00 0.00 0.00 179.25 180.06 1a5e h ARG 58 N 0.52 0.64 -0.45 0.00 -0.00 -1.94 -0.49 114.38 112.66 1a5e h ARG 58 Ca 0.21 -0.04 0.09 0.00 -0.50 0.00 0.00 59.98 59.74 1a5e h ARG 58 Cb 0.19 -0.15 -0.10 0.00 0.00 0.00 0.00 29.97 29.92 1a5e h ARG 58 CO -0.06 0.43 -0.28 0.28 0.00 0.00 0.00 179.97 180.34 1a5e h VAL 59 N 0.66 0.27 -0.53 2.04 2.07 -1.67 0.11 116.25 119.21 1a5e h VAL 59 Ca 0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.98 1a5e h VAL 59 Cb 0.68 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1a5e h VAL 59 CO -0.36 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.46 1a5e h ALA 60 N 0.97 0.68 -1.27 1.67 0.00 -1.30 0.26 119.26 120.27 1a5e h ALA 60 Ca 0.20 -0.14 0.37 0.00 0.00 0.00 0.00 54.91 55.34 1a5e h ALA 60 Cb 0.51 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1a5e h ALA 60 CO -0.56 0.27 0.89 1.49 0.00 0.00 0.00 179.25 181.33 1a5e h GLU 61 N 0.71 0.08 0.00 0.00 4.81 0.67 2.05 114.58 122.90 1a5e h GLU 61 Ca 0.18 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.17 1a5e h GLU 61 Cb 0.16 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1a5e h GLU 61 CO -0.02 0.05 -1.29 1.25 -0.73 0.00 0.00 179.01 178.27 1a5e h LEU 62 N 0.08 0.01 0.29 1.64 5.85 -0.63 -2.62 115.31 119.94 1a5e h LEU 62 Ca 0.64 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1a5e h LEU 62 Cb 2.33 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.34 1a5e h LEU 62 CO -0.10 1.51 -0.29 -0.07 -0.34 0.00 0.00 178.44 179.14 1a5e h LEU 63 N -0.96 -0.79 -0.40 2.25 3.38 0.10 0.33 115.31 119.22 1a5e h LEU 63 Ca -0.35 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1a5e h LEU 63 Cb 1.33 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1a5e h LEU 63 CO -0.20 -0.42 0.23 0.25 0.09 0.00 0.00 178.44 178.39 1a5e h LEU 64 N -0.62 0.48 -1.71 1.67 5.85 0.30 0.15 115.31 121.44 1a5e h LEU 64 Ca -0.01 -0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.82 1a5e h LEU 64 Cb 0.57 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1a5e h LEU 64 CO -0.06 0.41 0.54 0.25 -0.34 0.00 0.00 178.44 179.24 1a5e h LEU 65 N 0.51 0.26 -1.09 2.25 5.85 -1.10 0.91 115.31 122.90 1a5e h LEU 65 Ca 0.14 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1a5e h LEU 65 Cb 0.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1a5e h LEU 65 CO -0.02 0.12 -0.07 1.41 -0.34 0.00 0.00 178.44 179.54 1a5e n HIS 66 N -4.43 0.00 -1.50 1.25 8.25 0.07 -4.96 115.22 113.89 1a5e n HIS 66 Ca 0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1a5e n HIS 66 Cb 0.68 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 1.25 0.50 0.00 -1.41 0.00 0.32 -4.87 105.19 100.97 1a5e n GLY 67 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.33 0.00 -2.72 4.61 0.00 0.09 -4.65 120.51 116.52 1a5e n ALA 68 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1a5e n ALA 68 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1a5e n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5e n GLU 69 N 0.00 3.66 0.00 0.00 1.02 -1.16 -4.78 120.64 119.37 1a5e n GLU 69 Ca 0.00 -4.66 0.10 0.00 -0.02 0.00 0.00 57.16 52.57 1a5e n GLU 69 Cb 0.00 -2.29 0.56 0.00 -0.02 0.00 0.00 31.44 29.69 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a5e n PRO 70 N -0.28 0.55 0.00 3.49 -0.04 -1.26 -3.99 135.00 133.47 1a5e n PRO 70 Ca 0.37 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1a5e n PRO 70 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.04 0.00 -4.58 3.54 4.05 -1.26 -4.58 115.26 111.38 1a5e n ASN 71 Ca 0.14 0.00 -0.48 0.00 0.45 0.00 0.00 54.58 54.68 1a5e n ASN 71 Cb 0.08 -0.31 -0.04 0.00 1.23 0.00 0.00 39.78 40.74 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a5e n ALA 73 N 1.47 0.00 -3.09 0.00 0.00 -1.26 -4.77 120.51 112.86 1a5e n ALA 73 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 1a5e n ALA 73 Cb 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 4.76 0.00 0.00 1.11 -1.25 -4.89 116.67 117.41 1a5e s ASP 74 Ca 0.00 -0.20 0.12 0.00 0.18 0.00 0.00 52.55 52.65 1a5e s ASP 74 Cb 0.00 -1.80 0.73 0.00 1.07 0.00 0.00 42.92 42.91 1a5e s ASP 74 CO 0.00 0.09 1.38 -0.81 1.18 0.00 0.00 175.17 177.01 1a5e n PRO 75 N 4.09 0.89 -0.09 8.23 -0.04 -1.26 0.19 135.00 147.01 1a5e n PRO 75 Ca -0.17 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1a5e n PRO 75 Cb 0.52 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1a5e n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e n ALA 76 N -0.71 1.67 -0.07 0.55 0.00 -1.26 -4.70 120.51 115.99 1a5e n ALA 76 Ca 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1a5e n ALA 76 Cb 0.04 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1a5e n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1a5e n THR 77 N -3.34 0.28 -1.96 0.00 -1.04 -1.22 -4.82 114.28 102.17 1a5e n THR 77 Ca -0.34 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.05 60.91 1a5e n THR 77 Cb 0.81 0.91 -0.04 0.00 -1.82 0.00 0.00 70.33 70.20 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 -0.14 -1.32 -4.55 -4.42 4.77 0.50 -1.35 117.00 110.50 1a5e n LEU 78 Ca 0.00 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1a5e n LEU 78 Cb 0.09 -2.38 -0.08 0.00 -2.33 0.00 0.00 43.42 38.72 1a5e n LEU 78 CO 0.00 -0.48 1.24 0.41 -1.33 0.00 0.00 177.39 177.23 1a5e n THR 79 N -2.88 0.00 -1.24 -5.08 -1.04 -1.25 -4.40 114.28 98.39 1a5e n THR 79 Ca -0.17 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.05 61.10 1a5e n THR 79 Cb 0.58 -1.87 0.14 0.00 -1.82 0.00 0.00 70.33 67.36 1a5e n THR 79 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1a5e s ARG 80 N 8.75 1.19 0.00 -2.82 0.52 -1.26 -3.80 118.95 121.53 1a5e s ARG 80 Ca 0.93 0.74 0.17 0.00 -0.52 0.00 0.00 55.73 57.05 1a5e s ARG 80 Cb -0.16 -1.81 0.75 0.00 0.52 0.00 0.00 34.95 34.26 1a5e s ARG 80 CO 0.12 -2.27 1.53 -0.35 0.02 0.00 0.00 175.30 174.36 1a5e n PRO 81 N -3.89 0.06 0.11 3.54 -0.04 -1.26 -2.45 135.00 131.07 1a5e n PRO 81 Ca 0.07 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1a5e n PRO 81 Cb 0.56 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.49 -0.28 0.52 2.07 -1.89 -3.12 116.25 115.04 1a5e h VAL 82 Ca 0.00 -2.36 -0.09 0.00 0.82 0.00 0.00 66.70 65.07 1a5e h VAL 82 Cb 0.26 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1a5e h VAL 82 CO 0.00 0.68 -0.16 0.45 0.02 0.00 0.00 177.57 178.56 1a5e h HIS 83 N 0.03 0.70 -0.56 1.57 3.86 -1.83 -3.02 115.15 115.89 1a5e h HIS 83 Ca -0.01 -0.18 0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1a5e h HIS 83 Cb 1.24 -0.16 -0.11 0.00 1.06 0.00 0.00 27.41 29.45 1a5e h HIS 83 CO 0.00 0.85 -0.14 -0.44 0.86 0.00 0.00 177.93 179.07 1a5e h ASP 84 N 0.34 -0.51 0.10 2.45 3.32 -1.64 1.12 116.42 121.59 1a5e h ASP 84 Ca 0.06 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1a5e h ASP 84 Cb 0.68 0.35 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1a5e h ASP 84 CO 0.05 -0.18 -0.06 0.00 -1.72 0.00 0.00 179.24 177.32 1a5e h ALA 85 N 1.56 -0.94 -1.00 3.45 0.00 -1.54 -2.80 119.26 117.99 1a5e h ALA 85 Ca 0.27 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.34 1a5e h ALA 85 Cb 0.41 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 1a5e h ALA 85 CO -0.58 -0.94 0.61 0.00 0.00 0.00 0.00 179.25 178.35 1a5e h ALA 86 N -1.80 1.75 -0.76 0.00 0.00 -1.37 -1.24 119.26 115.84 1a5e h ALA 86 Ca -0.01 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1a5e h ALA 86 Cb 0.13 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 1a5e h ALA 86 CO 0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 179.25 178.88 1a5e h ARG 87 N 0.71 -0.05 -0.65 0.00 2.47 0.16 0.77 114.38 117.79 1a5e h ARG 87 Ca 0.57 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 1a5e h ARG 87 Cb 0.95 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1a5e h ARG 87 CO -0.36 -0.03 0.00 -1.91 0.56 0.00 0.00 179.97 178.23 1a5e n GLU 88 N -5.49 3.96 -3.63 0.04 0.00 -0.72 -4.92 120.64 109.88 1a5e n GLU 88 Ca 0.09 -2.52 -0.22 0.00 0.00 0.00 0.00 57.16 54.52 1a5e n GLU 88 Cb 0.39 -2.04 0.04 0.00 0.00 0.00 0.00 31.44 29.83 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 0.63 -0.51 2.98 8.31 0.00 0.27 -4.95 105.19 111.93 1a5e n GLY 89 Ca 0.22 0.23 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1a5e n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5e s PHE 90 N -3.59 3.51 0.22 1.61 2.19 -0.55 -4.91 117.98 116.46 1a5e s PHE 90 Ca 0.13 -3.15 -0.08 0.00 0.33 0.00 0.00 56.93 54.16 1a5e s PHE 90 Cb -0.03 -2.92 0.29 0.00 -1.31 0.00 0.00 43.02 39.05 1a5e s PHE 90 CO 0.81 -0.68 1.80 -0.07 1.83 0.00 0.00 175.22 178.91 1a5e h LEU 91 N 6.05 0.54 -1.44 6.12 3.38 -1.92 -1.72 115.31 126.31 1a5e h LEU 91 Ca 0.06 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.42 1a5e h LEU 91 Cb 0.83 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 1a5e h LEU 91 CO 0.74 0.33 0.77 0.44 0.09 0.00 0.00 178.44 180.81 1a5e h ASP 92 N 0.67 0.32 -0.14 -0.43 3.32 -1.98 0.35 116.42 118.54 1a5e h ASP 92 Ca 0.33 0.10 -0.19 0.00 0.02 0.00 0.00 57.03 57.29 1a5e h ASP 92 Cb 0.26 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1a5e h ASP 92 CO -0.22 -0.04 -0.61 0.74 -1.72 0.00 0.00 179.24 177.39 1a5e h THR 93 N 0.23 1.29 0.82 0.35 2.02 -1.64 -3.00 112.91 112.99 1a5e h THR 93 Ca 0.69 -1.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1a5e h THR 93 Cb 2.04 1.77 0.01 0.00 -1.74 0.00 0.00 68.15 70.23 1a5e h THR 93 CO -0.32 0.58 -0.40 -0.07 0.37 0.00 0.00 175.52 175.68 1a5e h LEU 94 N 0.55 -0.94 -0.70 2.58 4.07 -0.32 -2.63 115.31 117.93 1a5e h LEU 94 Ca -0.00 0.03 0.14 0.00 0.08 0.00 0.00 57.88 58.12 1a5e h LEU 94 Cb 1.21 0.24 -0.13 0.00 1.08 0.00 0.00 40.66 43.06 1a5e h LEU 94 CO 0.13 -0.59 -0.16 0.58 -1.08 0.00 0.00 178.44 177.32 1a5e h VAL 95 N -1.26 0.31 -0.32 1.22 2.07 -1.51 0.03 116.25 116.79 1a5e h VAL 95 Ca -0.11 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1a5e h VAL 95 Cb 0.86 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1a5e h VAL 95 CO 0.19 0.00 -0.25 0.58 0.02 0.00 0.00 177.57 178.11 1a5e h VAL 96 N 0.01 0.36 0.10 2.57 2.07 -1.47 0.98 116.25 120.87 1a5e h VAL 96 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 1a5e h VAL 96 Cb 0.53 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1a5e h VAL 96 CO -0.71 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 176.61 1a5e h LEU 97 N -0.22 -0.60 -2.12 2.57 3.38 -0.62 -0.38 115.31 117.32 1a5e h LEU 97 Ca 0.16 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1a5e h LEU 97 Cb 0.47 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1a5e h LEU 97 CO -0.45 -0.23 0.27 -0.74 0.09 0.00 0.00 178.44 177.38 1a5e h HIS 98 N -0.33 0.00 0.00 1.13 2.76 -1.10 0.48 115.15 118.09 1a5e h HIS 98 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1a5e h HIS 98 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1a5e h HIS 98 CO -0.28 0.00 0.00 0.54 -1.30 0.00 0.00 177.93 176.89 1a5e n ARG 99 N -3.93 0.14 -3.12 5.26 1.74 0.34 -4.11 116.66 112.97 1a5e n ARG 99 Ca 0.04 0.35 -0.18 0.00 -0.77 0.00 0.00 57.85 57.30 1a5e n ARG 99 Cb 0.42 -1.75 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.69 0.97 -2.73 7.54 0.00 0.17 -5.04 120.51 119.74 1a5e n ALA 100 Ca 0.03 -2.34 -0.03 0.00 0.00 0.00 0.00 53.44 51.09 1a5e n ALA 100 Cb 0.22 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 2.63 -3.27 3.60 0.00 0.00 -1.22 -4.87 105.19 102.06 1a5e n GLY 101 Ca 0.24 1.01 -0.02 0.00 0.00 0.00 0.00 46.02 47.25 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 -0.40 -2.17 0.28 4.61 0.00 -1.24 -4.77 121.76 118.08 1a5e s ALA 102 Ca -0.16 2.29 -0.28 0.00 0.00 0.00 0.00 51.96 53.81 1a5e s ALA 102 Cb 0.01 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1a5e s ALA 102 CO 0.43 -0.74 0.98 0.50 0.00 0.00 0.00 175.76 176.94 1a5e s ARG 103 N 2.33 4.68 0.00 0.00 3.52 -1.26 -4.60 118.95 123.63 1a5e s ARG 103 Ca -0.07 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 1a5e s ARG 103 Cb -0.08 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1a5e s ARG 103 CO -0.18 0.34 0.75 1.28 -0.81 0.00 0.00 175.30 176.67 1a5e n LEU 104 N 1.06 1.24 -2.56 -0.88 4.77 -1.26 -4.80 117.00 114.57 1a5e n LEU 104 Ca -0.00 -1.24 -0.30 0.00 -0.03 0.00 0.00 56.01 54.44 1a5e n LEU 104 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1a5e n LEU 104 CO 0.49 0.31 0.48 0.47 -1.33 0.00 0.00 177.39 177.81 1a5e n ASP 105 N -0.28 5.32 -4.79 -1.43 8.00 -1.26 -3.87 116.55 118.24 1a5e n ASP 105 Ca 0.00 -3.75 -0.25 0.00 0.71 0.00 0.00 54.79 51.51 1a5e n ASP 105 Cb 0.28 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 1a5e n ASP 105 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a5e s VAL 106 N -5.41 2.21 0.02 2.53 0.11 -1.26 -5.10 120.40 113.50 1a5e s VAL 106 Ca 0.49 -1.62 0.04 0.00 -2.93 0.00 0.00 61.98 57.96 1a5e s VAL 106 Cb 0.41 -2.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 1a5e s VAL 106 CO -0.23 0.00 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.29 1a5e s ARG 107 N -3.99 0.86 -0.56 1.54 0.52 -1.26 -4.54 118.95 111.51 1a5e s ARG 107 Ca 0.39 -0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1a5e s ARG 107 Cb 0.02 -0.83 -0.05 0.00 0.52 0.00 0.00 34.95 34.61 1a5e s ARG 107 CO 0.22 0.21 1.84 -3.47 0.02 0.00 0.00 175.30 174.12 1a5e n ASP 108 N 2.23 3.44 0.00 0.23 2.03 0.77 -4.59 116.55 120.67 1a5e n ASP 108 Ca -0.17 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 52.96 1a5e n ASP 108 Cb 0.55 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a5e n ALA 109 N 4.08 0.00 0.37 -1.67 0.00 -0.45 0.12 120.51 122.95 1a5e n ALA 109 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.79 1a5e n ALA 109 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 1a5e n ALA 109 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1a5e n TRP 110 N 0.00 0.00 0.00 0.00 2.14 -1.26 -4.80 117.44 113.52 1a5e n TRP 110 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1a5e n TRP 110 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1a5e n GLY 111 N 0.61 1.31 0.00 -1.67 0.00 0.32 -5.10 105.19 100.65 1a5e n GLY 111 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.47 -1.37 -1.92 1.61 1.74 -1.26 -4.91 116.66 110.09 1a5e n ARG 112 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1a5e n ARG 112 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 1a5e n ARG 112 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1a5e s LEU 113 N 0.00 2.74 0.18 0.55 2.96 -1.26 -0.16 118.68 123.69 1a5e s LEU 113 Ca 0.00 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1a5e s LEU 113 Cb 0.00 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.15 1a5e s LEU 113 CO 0.00 -1.57 1.46 1.55 -1.32 0.00 0.00 176.35 176.47 1a5e h PRO 114 N -0.80 0.50 0.00 0.98 0.13 -1.93 -2.89 132.00 127.99 1a5e h PRO 114 Ca -0.45 -0.36 -0.07 0.00 -0.87 0.00 0.00 66.00 64.25 1a5e h PRO 114 Cb 1.29 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1a5e h PRO 114 CO 0.65 0.98 -0.32 -0.24 -0.23 0.00 0.00 178.00 178.83 1a5e h VAL 115 N 0.37 1.08 0.02 1.56 3.04 -1.91 -2.79 116.25 117.61 1a5e h VAL 115 Ca -0.01 -1.17 -0.00 0.00 -1.01 0.00 0.00 66.70 64.50 1a5e h VAL 115 Cb 1.20 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1a5e h VAL 115 CO 0.12 0.32 -0.01 0.44 -1.01 0.00 0.00 177.57 177.42 1a5e h ASP 116 N 0.00 -0.03 -0.18 3.17 5.19 -1.91 -2.94 116.42 119.71 1a5e h ASP 116 Ca -0.00 -0.61 0.05 0.00 -0.62 0.00 0.00 57.03 55.85 1a5e h ASP 116 Cb 0.63 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1a5e h ASP 116 CO 0.04 0.62 0.24 0.25 -3.12 0.00 0.00 179.24 177.27 1a5e h LEU 117 N -0.69 0.00 0.21 1.55 6.46 -1.44 -2.88 115.31 118.51 1a5e h LEU 117 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1a5e h LEU 117 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1a5e h LEU 117 CO 0.01 0.00 -0.10 0.00 -0.62 0.00 0.00 178.44 177.73 1a5e h ALA 118 N 1.70 -0.36 -0.43 1.25 0.00 -1.40 -2.55 119.26 117.47 1a5e h ALA 118 Ca 0.09 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1a5e h ALA 118 Cb 0.56 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1a5e h ALA 118 CO -0.00 -0.34 0.66 0.93 0.00 0.00 0.00 179.25 180.50 1a5e h GLU 119 N -0.79 0.00 0.16 0.00 4.39 -1.34 0.33 114.58 117.33 1a5e h GLU 119 Ca -0.03 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.36 1a5e h GLU 119 Cb 0.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1a5e h GLU 119 CO 0.05 0.00 -1.53 0.93 -1.16 0.00 0.00 179.01 177.30 1a5e h GLU 120 N 0.00 0.33 -0.20 2.33 4.39 -1.54 -3.29 114.58 116.61 1a5e h GLU 120 Ca 0.20 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1a5e h GLU 120 Cb 1.52 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 1a5e h GLU 120 CO -0.00 1.23 0.00 1.28 -1.16 0.00 0.00 179.01 180.36 1a5e n LEU 121 N -3.54 1.30 0.00 1.33 7.99 0.10 -4.88 117.00 119.30 1a5e n LEU 121 Ca -0.17 -0.60 0.00 0.00 -0.01 0.00 0.00 56.01 55.23 1a5e n LEU 121 Cb 1.06 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 44.24 1a5e n LEU 121 CO 0.53 0.30 0.00 0.61 -1.51 0.00 0.00 177.39 177.32 1a5e n GLY 122 N 0.96 0.55 2.51 -0.72 0.00 -0.62 -4.95 105.19 102.92 1a5e n GLY 122 Ca 0.12 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.10 3.05 -0.32 1.61 8.25 -0.51 -4.71 115.22 119.50 1a5e n HIS 123 Ca 0.00 -2.74 0.18 0.00 -0.26 0.00 0.00 57.72 54.90 1a5e n HIS 123 Cb 0.17 -1.35 0.38 0.00 1.12 0.00 0.00 29.99 30.30 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 2.33 0.23 -0.84 -0.41 3.08 -1.88 1.09 114.38 117.98 1a5e h ARG 124 Ca 0.58 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.64 1a5e h ARG 124 Cb 0.56 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 1a5e h ARG 124 CO 1.50 0.15 0.55 -0.44 -1.07 0.00 0.00 179.97 180.67 1a5e h ASP 125 N 0.24 0.91 0.34 7.04 3.32 -1.97 -0.11 116.42 126.19 1a5e h ASP 125 Ca 0.64 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.35 1a5e h ASP 125 Cb 1.39 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.74 1a5e h ASP 125 CO -0.65 0.64 -1.54 0.58 -1.72 0.00 0.00 179.24 176.54 1a5e h VAL 126 N 1.06 1.18 0.00 -1.35 2.07 0.48 -3.23 116.25 116.47 1a5e h VAL 126 Ca 0.33 -2.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1a5e h VAL 126 Cb -0.01 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1a5e h VAL 126 CO -0.09 0.84 -0.01 0.00 0.02 0.00 0.00 177.57 178.33 1a5e h ALA 127 N 0.28 1.26 -0.56 1.67 0.00 0.89 -1.92 119.26 120.88 1a5e h ALA 127 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a5e h ALA 127 Cb 2.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1a5e h ALA 127 CO 0.21 0.01 0.00 -2.13 0.00 0.00 0.00 179.25 177.34 1a5e n ARG 128 N -3.46 0.00 -0.22 0.00 0.63 -0.10 -1.81 116.66 111.70 1a5e n ARG 128 Ca -0.03 0.41 0.01 0.00 -0.92 0.00 0.00 57.85 57.32 1a5e n ARG 128 Cb 0.09 -1.20 0.12 0.00 0.45 0.00 0.00 32.46 31.91 1a5e n ARG 128 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1a5e h TYR 129 N 0.00 0.47 -0.19 -0.14 3.20 -1.66 -1.90 116.97 116.75 1a5e h TYR 129 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1a5e h TYR 129 Cb 0.00 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 1a5e h TYR 129 CO 0.11 0.13 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.36 1a5e h LEU 130 N 0.47 -1.07 -2.12 2.82 3.38 -1.45 0.72 115.31 118.06 1a5e h LEU 130 Ca 0.33 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.51 1a5e h LEU 130 Cb 0.40 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1a5e h LEU 130 CO -0.30 -0.36 0.31 -0.09 0.09 0.00 0.00 178.44 178.09 1a5e h ARG 131 N -0.38 0.00 0.00 1.13 1.12 -0.57 2.19 114.38 117.87 1a5e h ARG 131 Ca 0.11 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.97 1a5e h ARG 131 Cb 0.56 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 1a5e h ARG 131 CO -0.40 0.00 -0.03 0.00 -3.11 0.00 0.00 179.97 176.42 1a5e h ALA 132 N 1.53 0.01 -0.00 2.80 0.00 0.80 -1.87 119.26 122.53 1a5e h ALA 132 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1a5e h ALA 132 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1a5e h ALA 132 CO -0.00 0.02 -0.30 0.00 0.00 0.00 0.00 179.25 178.97 1a5e n ALA 133 N -2.68 3.13 -0.06 0.00 0.00 0.20 -4.11 120.51 117.00 1a5e n ALA 133 Ca -0.08 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1a5e n ALA 133 Cb 0.37 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.07 1.69 -2.23 0.00 0.00 0.73 -4.31 120.51 115.31 1a5e n ALA 134 Ca 0.10 -0.80 -0.38 0.00 0.00 0.00 0.00 53.44 52.35 1a5e n ALA 134 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 -4.70 0.46 -0.79 0.00 0.00 -0.70 -4.67 107.32 96.93 1a5e s GLY 135 Ca -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 1a5e s GLY 135 CO 0.49 3.15 0.64 -0.32 0.00 0.00 0.00 173.10 177.05 1a5e s GLY 136 N 6.57 2.87 -0.30 0.20 0.00 -1.26 -4.88 107.32 110.52 1a5e s GLY 136 Ca 0.56 -3.65 -0.27 0.00 0.00 0.00 0.00 44.72 41.36 1a5e s GLY 136 CO 0.16 1.15 2.28 -0.51 0.00 0.00 0.00 173.10 176.18 1a5e s THR 137 N -0.92 3.00 -0.42 0.90 -4.23 -1.26 -4.86 115.64 107.86 1a5e s THR 137 Ca 0.24 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1a5e s THR 137 Cb -0.11 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1a5e s THR 137 CO -0.10 -0.00 0.49 0.54 -0.54 0.00 0.00 174.62 175.01 1a5e n ARG 138 N 8.84 0.49 0.00 3.99 1.74 -1.26 -5.03 116.66 125.43 1a5e n ARG 138 Ca 0.32 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 1a5e n ARG 138 Cb 0.48 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 2.14 0.83 2.73 -0.13 0.00 -1.26 -5.00 105.19 104.50 1a5e n GLY 139 Ca 0.23 0.23 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 1a5e n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 140 N 0.00 7.22 -4.06 1.61 7.64 -1.26 -4.81 113.62 119.96 1a5e n SER 140 Ca 0.00 -3.59 -0.31 0.00 1.01 0.00 0.00 58.87 55.98 1a5e n SER 140 Cb 0.00 -1.15 -0.01 0.00 -1.01 0.00 0.00 64.21 62.04 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 0.09 -2.69 -4.59 6.43 3.02 -1.26 -4.77 115.26 111.49 1a5e n ASN 141 Ca 0.52 -0.95 -0.45 0.00 -0.03 0.00 0.00 54.58 53.67 1a5e n ASN 141 Cb 0.33 -3.13 -0.04 0.00 -0.61 0.00 0.00 39.78 36.33 1a5e n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5e n HIS 142 N -4.45 2.01 -3.53 3.10 1.44 -1.26 -4.59 115.22 107.93 1a5e n HIS 142 Ca -0.06 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 1a5e n HIS 142 Cb 0.56 -2.69 0.00 0.00 0.12 0.00 0.00 29.99 27.98 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a5e n ALA 143 N 10.20 0.00 -3.33 1.59 0.00 -1.26 -4.91 120.51 122.80 1a5e n ALA 143 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.56 1a5e n ALA 143 Cb 0.38 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 -2.04 -1.50 0.00 0.63 -1.26 -4.70 116.66 107.79 1a5e n ARG 144 Ca 0.00 0.79 0.14 0.00 -0.92 0.00 0.00 57.85 57.87 1a5e n ARG 144 Cb 0.00 -5.51 -0.08 0.00 0.45 0.00 0.00 32.46 27.33 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 -3.41 -1.38 -2.90 5.15 2.08 -1.26 -4.93 119.36 112.70 1a5e n ILE 145 Ca -0.07 1.09 -0.05 0.00 0.56 0.00 0.00 62.75 64.27 1a5e n ILE 145 Cb 0.61 -1.68 0.01 0.00 -0.75 0.00 0.00 39.64 37.83 1a5e n ILE 145 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1a5e n ASP 146 N -4.03 -7.79 -4.71 4.38 9.92 -1.26 -4.92 116.55 108.14 1a5e n ASP 146 Ca -0.08 0.30 -0.42 0.00 -0.53 0.00 0.00 54.79 54.06 1a5e n ASP 146 Cb 0.66 -5.29 -0.03 0.00 -0.64 0.00 0.00 41.12 35.82 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e s ALA 147 N -2.74 3.37 -0.35 2.24 0.00 -1.26 -4.73 121.76 118.28 1a5e s ALA 147 Ca 0.15 0.79 -0.43 0.00 0.00 0.00 0.00 51.96 52.47 1a5e s ALA 147 Cb -0.04 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 1a5e s ALA 147 CO 0.75 -0.44 1.69 0.00 0.00 0.00 0.00 175.76 177.75 1a5e n ALA 148 N 4.06 -0.62 -0.54 0.00 0.00 -1.26 -4.89 120.51 117.26 1a5e n ALA 148 Ca 0.09 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1a5e n ALA 148 Cb 0.47 -2.12 0.23 0.00 0.00 0.00 0.00 19.45 18.03 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 4.87 -2.00 -0.88 0.00 4.07 -1.26 -4.76 120.64 120.68 1a5e n GLU 149 Ca 0.28 -0.55 0.00 0.00 -0.06 0.00 0.00 57.16 56.83 1a5e n GLU 149 Cb 0.06 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 1a5e n GLU 149 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a5e n GLY 150 N 1.06 -3.26 3.71 8.31 0.00 -1.26 -4.92 105.19 108.83 1a5e n GLY 150 Ca 0.04 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.30 4.34 0.00 1.61 0.04 -1.26 -4.87 135.00 132.56 1a5e s PRO 151 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1a5e s PRO 151 Cb 0.00 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1a5e s PRO 151 CO 0.00 -0.42 0.04 0.45 0.04 0.00 0.00 177.00 177.11 1a5e n SER 152 N 4.13 0.07 -3.72 6.66 2.88 -1.26 -4.92 113.62 117.46 1a5e n SER 152 Ca 0.11 -0.91 -0.41 0.00 -1.33 0.00 0.00 58.87 56.32 1a5e n SER 152 Cb 0.43 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.91 1a5e n SER 152 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1a5e n ASP 153 N -0.01 6.98 -3.88 -3.46 5.75 -1.26 -4.84 116.55 115.83 1a5e n ASP 153 Ca 0.00 -3.41 -0.34 0.00 -0.01 0.00 0.00 54.79 51.03 1a5e n ASP 153 Cb 0.21 -1.28 -0.06 0.00 -1.03 0.00 0.00 41.12 38.95 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1a5e n ILE 154 N 1.18 3.10 -2.54 2.12 2.08 -1.26 -5.04 119.36 119.01 1a5e n ILE 154 Ca 0.45 -5.27 -0.43 0.00 0.56 0.00 0.00 62.75 58.06 1a5e n ILE 154 Cb 0.29 -2.23 -0.02 0.00 -0.75 0.00 0.00 39.64 36.93 1a5e n ILE 154 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1a5e s PRO 155 N -1.95 4.10 0.00 0.38 0.04 -1.26 -5.31 135.00 131.01 1a5e s PRO 155 Ca 0.31 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1a5e s PRO 155 Cb 0.01 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1a5e s PRO 155 CO -0.06 -0.86 0.00 -3.47 0.04 0.00 0.00 177.00 172.65