#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 -0.57 -6.22 2.12 3.07 -2.07 -3.38 114.58 107.53 1a5e h GLU 2 Ca 0.00 0.04 -0.53 0.00 -0.50 0.00 0.00 59.36 58.37 1a5e h GLU 2 Cb 0.00 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 1a5e h GLU 2 CO 0.00 -0.31 1.20 -1.25 -1.40 0.00 0.00 179.01 177.25 1a5e s PRO 3 N -5.51 3.01 -0.36 2.33 0.04 -1.26 -4.84 135.00 128.41 1a5e s PRO 3 Ca -0.16 0.40 0.12 0.00 0.04 0.00 0.00 61.00 61.41 1a5e s PRO 3 Cb 0.03 -4.25 0.45 0.00 0.04 0.00 0.00 34.50 30.77 1a5e s PRO 3 CO 0.59 -2.30 1.04 0.00 0.04 0.00 0.00 177.00 176.38 1a5e n ALA 4 N 10.81 4.12 -3.46 8.56 0.00 -1.26 -5.00 120.51 134.29 1a5e n ALA 4 Ca 0.14 -3.63 -0.18 0.00 0.00 0.00 0.00 53.44 49.77 1a5e n ALA 4 Cb 0.50 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 19.22 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 5 N -0.31 -2.66 -0.36 0.00 0.00 -1.26 -3.57 120.51 112.35 1a5e n ALA 5 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1a5e n ALA 5 Cb 0.76 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.34 1.50 0.00 0.00 0.00 -1.26 -4.74 105.19 99.35 1a5e n GLY 6 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 5.77 0.52 -0.15 1.61 2.88 -1.23 -5.06 113.62 117.95 1a5e n SER 7 Ca 0.00 -0.36 0.06 0.00 -1.33 0.00 0.00 58.87 57.24 1a5e n SER 7 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1a5e n SER 7 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a5e n SER 8 N -0.88 1.64 -4.58 -3.46 7.64 -1.26 -4.90 113.62 107.82 1a5e n SER 8 Ca 0.00 -2.56 -0.42 0.00 1.01 0.00 0.00 58.87 56.90 1a5e n SER 8 Cb 0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1a5e n SER 8 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1a5e s MET 9 N -1.79 3.36 0.34 1.43 1.75 -1.26 -4.83 119.30 118.29 1a5e s MET 9 Ca 0.18 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1a5e s MET 9 Cb 0.16 -4.10 0.00 0.00 2.84 0.00 0.00 34.83 33.73 1a5e s MET 9 CO 0.02 -1.86 0.00 0.39 -0.65 0.00 0.00 175.02 172.92 1a5e n GLU 10 N 8.54 -2.47 -2.47 4.11 4.71 -1.26 -4.72 120.64 127.07 1a5e n GLU 10 Ca 0.13 1.74 -0.37 0.00 -0.01 0.00 0.00 57.16 58.65 1a5e n GLU 10 Cb 0.49 -3.03 -0.03 0.00 -1.01 0.00 0.00 31.44 27.85 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 -2.62 4.15 -0.27 3.49 0.04 -1.26 -5.00 135.00 133.53 1a5e s PRO 11 Ca 0.00 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 1a5e s PRO 11 Cb 0.00 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 1a5e s PRO 11 CO 0.00 -0.18 0.81 0.45 0.04 0.00 0.00 177.00 178.12 1a5e s SER 12 N -1.41 6.76 0.17 6.66 0.15 -1.26 -4.91 113.70 119.87 1a5e s SER 12 Ca 0.57 0.89 0.18 0.00 0.70 0.00 0.00 55.95 58.29 1a5e s SER 12 Cb -0.25 -2.42 0.82 0.00 -1.71 0.00 0.00 66.02 62.45 1a5e s SER 12 CO 0.31 -0.55 1.56 0.00 1.20 0.00 0.00 173.24 175.76 1a5e n ALA 13 N 6.09 1.48 1.03 5.45 0.00 -1.26 -2.06 120.51 131.24 1a5e n ALA 13 Ca 0.05 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1a5e n ALA 13 Cb 0.48 -1.29 0.55 0.00 0.00 0.00 0.00 19.45 19.18 1a5e n ALA 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a5e n ASP 14 N -1.97 0.00 0.00 0.00 2.03 -1.26 -2.80 116.55 112.55 1a5e n ASP 14 Ca 0.02 -0.04 0.12 0.00 0.52 0.00 0.00 54.79 55.41 1a5e n ASP 14 Cb 0.15 -0.28 0.56 0.00 -0.72 0.00 0.00 41.12 40.84 1a5e n ASP 14 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1a5e n TRP 15 N -1.28 0.00 -0.06 -0.67 7.02 -0.87 -1.88 117.44 119.69 1a5e n TRP 15 Ca 0.10 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.46 1a5e n TRP 15 Cb 0.17 -0.41 -0.12 0.00 -2.42 0.00 0.00 31.31 28.53 1a5e n TRP 15 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1a5e h LEU 16 N 0.00 -0.00 0.00 -0.99 5.85 -1.77 -3.01 115.31 115.39 1a5e h LEU 16 Ca 0.00 -0.88 -0.25 0.00 0.84 0.00 0.00 57.88 57.59 1a5e h LEU 16 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1a5e h LEU 16 CO 0.00 0.93 -1.12 0.00 -0.34 0.00 0.00 178.44 177.91 1a5e h ALA 17 N -0.06 0.22 -0.71 1.25 0.00 -1.78 -3.12 119.26 115.06 1a5e h ALA 17 Ca -0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 54.91 54.02 1a5e h ALA 17 Cb 0.89 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1a5e h ALA 17 CO 0.00 0.95 0.23 0.00 0.00 0.00 0.00 179.25 180.43 1a5e h THR 18 N 0.10 1.26 -0.36 0.00 1.03 -1.53 0.12 112.91 113.54 1a5e h THR 18 Ca -0.10 -0.88 -0.02 0.00 -0.01 0.00 0.00 66.41 65.39 1a5e h THR 18 Cb 1.82 0.49 -0.02 0.00 -1.07 0.00 0.00 68.15 69.37 1a5e h THR 18 CO 0.18 0.35 0.14 0.00 -0.01 0.00 0.00 175.52 176.18 1a5e h ALA 19 N 1.11 0.47 0.38 0.00 0.00 -1.60 -1.64 119.26 117.98 1a5e h ALA 19 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1a5e h ALA 19 Cb 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a5e h ALA 19 CO -0.01 0.07 -0.18 0.00 0.00 0.00 0.00 179.25 179.13 1a5e h ALA 20 N 0.98 -0.51 -0.10 0.00 0.00 -1.42 -2.35 119.26 115.85 1a5e h ALA 20 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a5e h ALA 20 Cb 0.20 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a5e h ALA 20 CO -0.01 -0.72 0.28 0.00 0.00 0.00 0.00 179.25 178.80 1a5e h ALA 21 N -0.07 1.51 -0.35 0.00 0.00 0.09 -0.11 119.26 120.32 1a5e h ALA 21 Ca -0.05 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1a5e h ALA 21 Cb 0.47 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1a5e h ALA 21 CO 0.09 -0.34 0.18 0.54 0.00 0.00 0.00 179.25 179.72 1a5e n ARG 22 N -3.22 1.82 -3.23 0.00 1.74 -0.63 -4.18 116.66 108.95 1a5e n ARG 22 Ca 0.00 -1.22 -0.19 0.00 -0.77 0.00 0.00 57.85 55.68 1a5e n ARG 22 Cb 0.37 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5e n GLY 23 N -0.03 -0.47 3.07 -0.13 0.00 -0.06 -4.89 105.19 102.68 1a5e n GLY 23 Ca 0.20 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1a5e n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5e s ARG 24 N -5.84 1.99 -0.04 1.61 6.06 -1.13 -4.99 118.95 116.61 1a5e s ARG 24 Ca 0.32 -1.56 -0.18 0.00 -2.50 0.00 0.00 55.73 51.81 1a5e s ARG 24 Cb -0.18 -3.10 -0.12 0.00 0.06 0.00 0.00 34.95 31.61 1a5e s ARG 24 CO 0.39 -0.74 0.76 0.28 -2.50 0.00 0.00 175.30 173.49 1a5e h VAL 25 N 6.64 0.46 -0.76 7.11 2.07 -1.90 -3.15 116.25 126.72 1a5e h VAL 25 Ca -0.14 -0.88 0.22 0.00 0.82 0.00 0.00 66.70 66.72 1a5e h VAL 25 Cb 1.04 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1a5e h VAL 25 CO 0.51 0.12 0.72 -0.33 0.02 0.00 0.00 177.57 178.61 1a5e h GLU 26 N -0.98 0.00 -0.15 1.57 5.08 -1.96 0.49 114.58 118.63 1a5e h GLU 26 Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1a5e h GLU 26 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a5e h GLU 26 CO 0.06 0.00 -0.30 0.93 -1.00 0.00 0.00 179.01 178.70 1a5e h GLU 27 N 0.00 0.46 0.05 2.33 4.39 -1.90 -2.39 114.58 117.53 1a5e h GLU 27 Ca 0.36 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1a5e h GLU 27 Cb 1.80 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.49 1a5e h GLU 27 CO -0.00 0.91 -0.02 0.28 -1.16 0.00 0.00 179.01 179.01 1a5e h VAL 28 N 0.08 1.24 -0.81 3.13 2.07 -0.44 -1.00 116.25 120.52 1a5e h VAL 28 Ca 0.00 -1.60 0.16 0.00 0.82 0.00 0.00 66.70 66.09 1a5e h VAL 28 Cb 0.90 2.20 -0.15 0.00 -1.52 0.00 0.00 31.29 32.72 1a5e h VAL 28 CO 0.07 0.37 -0.22 -0.09 0.02 0.00 0.00 177.57 177.71 1a5e h ARG 29 N -0.86 -0.01 -0.02 1.57 9.65 -0.33 0.11 114.38 124.49 1a5e h ARG 29 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1a5e h ARG 29 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1a5e h ARG 29 CO 0.01 -0.01 -0.09 0.00 2.80 0.00 0.00 179.97 182.69 1a5e h ALA 30 N 1.75 0.04 -2.00 2.80 0.00 -1.51 -2.84 119.26 117.50 1a5e h ALA 30 Ca 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a5e h ALA 30 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a5e h ALA 30 CO -0.84 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 179.61 1a5e n LEU 31 N -4.68 0.00 -0.25 0.00 4.77 -0.38 -0.44 117.00 116.02 1a5e n LEU 31 Ca -0.09 0.67 0.02 0.00 -0.03 0.00 0.00 56.01 56.58 1a5e n LEU 31 Cb 0.37 -0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1a5e n LEU 31 CO 0.36 -0.17 0.74 0.25 -1.33 0.00 0.00 177.39 177.24 1a5e h LEU 32 N 0.00 -0.60 0.00 2.23 6.46 -1.03 1.01 115.31 123.39 1a5e h LEU 32 Ca 0.00 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1a5e h LEU 32 Cb 0.00 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1a5e h LEU 32 CO 0.00 -0.23 0.00 1.21 -0.62 0.00 0.00 178.44 178.80 1a5e n GLU 33 N -5.45 0.04 -0.03 1.25 2.13 -1.07 -2.69 120.64 114.81 1a5e n GLU 33 Ca 0.11 0.25 0.04 0.00 0.66 0.00 0.00 57.16 58.22 1a5e n GLU 33 Cb 0.40 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.46 1a5e n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5e n ALA 34 N -1.46 2.35 0.00 4.31 0.00 0.34 -4.97 120.51 121.08 1a5e n ALA 34 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1a5e n ALA 34 Cb 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.54 0.38 3.42 0.00 0.00 -0.26 -5.06 105.19 105.21 1a5e n GLY 35 Ca -0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.41 -1.20 4.61 0.00 -0.96 -4.83 120.51 115.72 1a5e n ALA 36 Ca 0.00 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 1a5e n ALA 36 Cb 0.00 -1.67 0.10 0.00 0.00 0.00 0.00 19.45 17.88 1a5e n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a5e n LEU 37 N 1.88 2.83 -0.01 0.00 4.32 -1.26 -4.57 117.00 120.18 1a5e n LEU 37 Ca 0.16 0.59 -0.15 0.00 -0.02 0.00 0.00 56.01 56.58 1a5e n LEU 37 Cb 0.28 -1.38 -0.05 0.00 -1.62 0.00 0.00 43.42 40.66 1a5e n LEU 37 CO 0.56 -2.33 0.30 1.55 -1.22 0.00 0.00 177.39 176.26 1a5e h PRO 38 N -0.61 0.73 0.00 3.23 0.13 -1.88 -3.43 132.00 130.16 1a5e h PRO 38 Ca -0.46 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.09 1a5e h PRO 38 Cb 1.32 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1a5e h PRO 38 CO 0.44 1.19 0.00 0.09 -0.23 0.00 0.00 178.00 179.49 1a5e n ASN 39 N -3.92 0.42 -1.52 1.44 4.13 -1.26 -4.31 115.26 110.24 1a5e n ASN 39 Ca -0.06 0.08 0.07 0.00 1.68 0.00 0.00 54.58 56.35 1a5e n ASN 39 Cb 0.73 -0.11 -0.04 0.00 -1.54 0.00 0.00 39.78 38.82 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a5e n ALA 40 N -2.95 -2.73 -1.37 5.41 0.00 -1.26 -4.66 120.51 112.96 1a5e n ALA 40 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 53.44 53.82 1a5e n ALA 40 Cb 0.00 -1.52 0.22 0.00 0.00 0.00 0.00 19.45 18.15 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 -4.97 -0.50 0.04 0.00 0.04 -1.26 -4.82 135.00 123.54 1a5e s PRO 41 Ca 0.00 -0.14 -0.00 0.00 0.04 0.00 0.00 61.00 60.89 1a5e s PRO 41 Cb 0.00 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1a5e s PRO 41 CO 0.00 -3.22 -0.03 -0.80 0.04 0.00 0.00 177.00 172.99 1a5e s ASN 42 N -4.20 0.43 0.00 6.66 0.01 -1.26 -4.91 114.94 111.67 1a5e s ASN 42 Ca 0.71 -0.78 0.29 0.00 -0.71 0.00 0.00 52.86 52.37 1a5e s ASN 42 Cb -0.08 0.15 1.22 0.00 0.41 0.00 0.00 41.25 42.94 1a5e s ASN 42 CO 0.55 -0.46 1.88 -1.20 -1.51 0.00 0.00 177.10 176.35 1a5e n SER 43 N 0.75 0.22 -0.59 -1.22 7.64 -1.26 -3.37 113.62 115.78 1a5e n SER 43 Ca -0.18 -0.11 0.07 0.00 1.01 0.00 0.00 58.87 59.65 1a5e n SER 43 Cb 0.58 -0.21 0.18 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.27 0.55 -1.77 1.43 4.01 -1.26 -4.94 117.16 113.91 1a5e n TYR 44 Ca 0.11 -0.75 -0.16 0.00 -0.16 0.00 0.00 57.90 56.94 1a5e n TYR 44 Cb 0.29 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.38 0.90 3.86 2.72 0.00 -1.22 -4.94 105.19 106.13 1a5e n GLY 45 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.91 2.32 0.60 1.61 0.52 -1.26 -4.75 118.95 114.08 1a5e s ARG 46 Ca 0.00 -1.87 -0.06 0.00 -0.52 0.00 0.00 55.73 53.29 1a5e s ARG 46 Cb 0.00 -2.13 0.01 0.00 0.52 0.00 0.00 34.95 33.35 1a5e s ARG 46 CO 0.00 -0.40 0.90 1.03 0.02 0.00 0.00 175.30 176.86 1a5e s ARG 47 N -4.15 2.84 0.15 3.54 1.81 -1.26 -4.54 118.95 117.33 1a5e s ARG 47 Ca 0.39 -0.06 0.19 0.00 -1.72 0.00 0.00 55.73 54.52 1a5e s ARG 47 Cb -0.01 -2.27 0.80 0.00 -0.45 0.00 0.00 34.95 33.02 1a5e s ARG 47 CO 0.23 -0.75 1.57 -0.35 -0.68 0.00 0.00 175.30 175.32 1a5e n PRO 48 N -2.60 0.10 -0.06 3.54 -0.04 -1.26 -2.65 135.00 132.03 1a5e n PRO 48 Ca 0.05 0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1a5e n PRO 48 Cb 0.58 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.91 0.77 0.30 0.52 5.41 -1.26 -4.19 119.36 119.01 1a5e n ILE 49 Ca 0.02 -0.35 0.19 0.00 1.00 0.00 0.00 62.75 63.61 1a5e n ILE 49 Cb 0.18 -0.90 1.00 0.00 -0.71 0.00 0.00 39.64 39.22 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 -0.35 0.38 4.15 -1.87 -0.16 115.11 117.26 1a5e h GLN 50 Ca -0.30 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 58.91 1a5e h GLN 50 Cb 1.54 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 29.10 1a5e h GLN 50 CO -0.03 0.00 -0.23 1.55 -1.93 0.00 0.00 178.83 178.19 1a5e n VAL 51 N -3.26 2.52 -1.00 2.39 3.14 -1.08 -4.69 118.33 116.35 1a5e n VAL 51 Ca -0.02 -3.07 -0.24 0.00 -2.96 0.00 0.00 64.34 58.06 1a5e n VAL 51 Cb 0.21 -0.44 0.12 0.00 -1.06 0.00 0.00 33.84 32.68 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 -1.07 2.19 0.00 1.45 0.00 -0.07 -1.76 117.12 117.86 1a5e n MET 52 Ca 0.33 -2.63 0.00 0.00 0.00 0.00 0.00 57.70 55.40 1a5e n MET 52 Cb 0.94 -2.03 0.00 0.00 0.00 0.00 0.00 33.22 32.13 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 -0.77 0.00 -1.91 3.17 1.56 -1.25 -3.99 117.12 113.93 1a5e n MET 53 Ca 0.52 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.84 1a5e n MET 53 Cb 1.18 -2.21 -0.02 0.00 2.15 0.00 0.00 33.22 34.31 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 -1.83 -1.81 -0.12 2.12 2.81 -1.26 -4.72 117.12 112.31 1a5e n MET 54 Ca 0.00 0.58 0.04 0.00 -1.81 0.00 0.00 57.70 56.51 1a5e n MET 54 Cb 0.00 -4.98 0.06 0.00 -0.71 0.00 0.00 33.22 27.58 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 -0.50 2.48 3.06 3.03 0.00 -1.26 -4.65 105.19 107.36 1a5e n GLY 55 Ca -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.61 -0.68 0.63 1.61 0.01 -1.26 -4.99 113.70 107.41 1a5e s SER 56 Ca 0.13 -0.72 0.33 0.00 1.31 0.00 0.00 55.95 57.00 1a5e s SER 56 Cb 0.11 1.55 1.83 0.00 0.21 0.00 0.00 66.02 69.71 1a5e s SER 56 CO 0.01 -0.24 2.11 0.00 0.41 0.00 0.00 173.24 175.53 1a5e h ALA 57 N 7.37 1.50 -0.97 1.44 0.00 -1.91 -1.14 119.26 125.54 1a5e h ALA 57 Ca 0.02 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1a5e h ALA 57 Cb 1.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1a5e h ALA 57 CO 0.16 -0.25 0.64 0.00 0.00 0.00 0.00 179.25 179.79 1a5e h ARG 58 N 0.00 1.17 0.20 0.00 2.47 -1.94 -1.65 114.38 114.63 1a5e h ARG 58 Ca 0.05 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1a5e h ARG 58 Cb 0.45 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1a5e h ARG 58 CO -0.00 0.77 -0.25 0.28 0.56 0.00 0.00 179.97 181.33 1a5e h VAL 59 N 1.20 0.00 -0.83 2.04 2.07 -1.56 -1.45 116.25 117.73 1a5e h VAL 59 Ca 0.40 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.11 1a5e h VAL 59 Cb 0.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 1a5e h VAL 59 CO -0.13 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.02 1a5e h ALA 60 N -1.27 2.30 -0.93 1.67 0.00 -1.68 -0.42 119.26 118.93 1a5e h ALA 60 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 60 Cb 0.41 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 1a5e h ALA 60 CO -0.06 -0.55 0.43 1.49 0.00 0.00 0.00 179.25 180.56 1a5e h GLU 61 N 0.32 0.38 0.19 0.00 4.81 -0.27 1.58 114.58 121.58 1a5e h GLU 61 Ca 0.42 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.32 1a5e h GLU 61 Cb 1.15 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.46 1a5e h GLU 61 CO -0.12 0.25 -1.44 1.25 -0.73 0.00 0.00 179.01 178.22 1a5e h LEU 62 N 0.39 0.63 0.59 1.64 5.85 -0.95 -2.95 115.31 120.51 1a5e h LEU 62 Ca 0.60 -0.92 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1a5e h LEU 62 Cb 1.18 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.01 1a5e h LEU 62 CO -0.55 1.67 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.86 1a5e h LEU 63 N -0.04 -0.67 -0.84 2.25 3.38 -0.43 -0.48 115.31 118.48 1a5e h LEU 63 Ca -0.27 0.02 0.20 0.00 0.09 0.00 0.00 57.88 57.92 1a5e h LEU 63 Cb 1.99 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 42.79 1a5e h LEU 63 CO 0.19 -0.41 0.32 -0.07 0.09 0.00 0.00 178.44 178.56 1a5e h LEU 64 N -0.93 0.23 -0.71 1.67 3.38 0.20 0.42 115.31 119.58 1a5e h LEU 64 Ca -0.08 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1a5e h LEU 64 Cb 0.61 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1a5e h LEU 64 CO 0.13 -0.00 0.45 0.25 0.09 0.00 0.00 178.44 179.36 1a5e h LEU 65 N 0.37 0.75 -0.10 1.67 5.85 -1.41 0.63 115.31 123.06 1a5e h LEU 65 Ca 0.51 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1a5e h LEU 65 Cb 0.92 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1a5e h LEU 65 CO -0.52 0.52 0.00 1.41 -0.34 0.00 0.00 178.44 179.51 1a5e n HIS 66 N -4.65 0.00 -1.19 1.25 8.25 0.11 -4.90 115.22 114.09 1a5e n HIS 66 Ca 0.07 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1a5e n HIS 66 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 1.02 0.90 0.00 -1.41 0.00 0.83 -4.83 105.19 101.70 1a5e n GLY 67 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.19 0.00 -2.49 4.61 0.00 -0.37 -4.55 120.51 116.52 1a5e n ALA 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1a5e n ALA 68 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 3.41 0.12 0.00 4.07 -1.26 -4.75 120.64 122.22 1a5e n GLU 69 Ca 0.00 -4.42 -0.02 0.00 -0.06 0.00 0.00 57.16 52.66 1a5e n GLU 69 Cb 0.00 -2.27 0.20 0.00 -0.06 0.00 0.00 31.44 29.31 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1a5e h PRO 70 N 2.85 0.12 0.00 5.31 0.13 -1.91 -3.37 132.00 135.13 1a5e h PRO 70 Ca 0.33 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1a5e h PRO 70 Cb 0.63 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1a5e h PRO 70 CO 0.97 0.62 0.00 0.09 -0.23 0.00 0.00 178.00 179.45 1a5e n ASN 71 N -3.92 0.00 -4.32 1.44 4.13 -1.26 -4.27 115.26 107.06 1a5e n ASN 71 Ca -0.02 0.19 -0.33 0.00 1.68 0.00 0.00 54.58 56.11 1a5e n ASN 71 Cb 0.55 -0.23 0.14 0.00 -1.54 0.00 0.00 39.78 38.70 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 -3.88 0.00 -2.87 0.00 0.00 -1.26 -4.67 120.51 107.83 1a5e n ALA 73 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 1a5e n ALA 73 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 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 1.70 4.62 0.00 0.00 1.01 -1.26 -4.91 116.67 117.83 1a5e s ASP 74 Ca 0.00 -0.13 0.16 0.00 0.71 0.00 0.00 52.55 53.29 1a5e s ASP 74 Cb 0.00 -1.58 0.68 0.00 1.01 0.00 0.00 42.92 43.03 1a5e s ASP 74 CO 0.00 0.22 1.51 -0.81 0.21 0.00 0.00 175.17 176.30 1a5e n PRO 75 N 3.16 0.00 0.00 8.23 -0.04 -1.26 0.04 135.00 145.13 1a5e n PRO 75 Ca -0.18 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1a5e n PRO 75 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.50 0.00 -0.25 0.55 0.00 -1.26 -4.59 120.51 113.46 1a5e n ALA 76 Ca 0.04 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1a5e n ALA 76 Cb 0.18 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.55 0.91 -3.98 0.00 -1.04 -1.25 -4.81 114.28 102.55 1a5e n THR 77 Ca 0.00 -0.96 -0.32 0.00 -2.04 0.00 0.00 64.05 60.73 1a5e n THR 77 Cb 0.00 0.59 0.01 0.00 -1.82 0.00 0.00 70.33 69.11 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 1.63 -2.23 -4.55 -4.42 4.77 0.11 -1.07 117.00 111.22 1a5e n LEU 78 Ca 0.24 -0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 55.09 1a5e n LEU 78 Cb 0.62 -2.39 -0.04 0.00 -2.33 0.00 0.00 43.42 39.28 1a5e n LEU 78 CO 0.17 0.40 1.63 -0.89 -1.33 0.00 0.00 177.39 177.36 1a5e s THR 79 N -3.27 3.17 0.47 -5.08 2.01 -1.26 -4.21 115.64 107.47 1a5e s THR 79 Ca 0.68 -0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.46 1a5e s THR 79 Cb -0.35 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 1a5e s THR 79 CO 0.84 -0.40 1.08 -0.60 -0.69 0.00 0.00 174.62 174.85 1a5e s ARG 80 N 7.89 3.79 0.26 4.92 6.06 -1.26 -4.00 118.95 136.61 1a5e s ARG 80 Ca 0.84 1.51 0.23 0.00 -2.50 0.00 0.00 55.73 55.80 1a5e s ARG 80 Cb -0.13 -2.22 0.99 0.00 0.06 0.00 0.00 34.95 33.65 1a5e s ARG 80 CO 0.16 -0.47 1.69 -0.35 -2.50 0.00 0.00 175.30 173.83 1a5e n PRO 81 N -0.76 0.18 0.14 5.12 -0.04 -1.26 -1.89 135.00 136.49 1a5e n PRO 81 Ca 0.08 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 64.03 1a5e n PRO 81 Cb 0.51 -1.87 0.41 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.17 -0.45 0.52 2.07 -1.87 -2.07 116.25 115.63 1a5e h VAL 82 Ca 0.00 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1a5e h VAL 82 Cb 0.29 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1a5e h VAL 82 CO 0.00 0.24 -0.15 0.45 0.02 0.00 0.00 177.57 178.13 1a5e h HIS 83 N 0.17 1.02 -0.31 1.57 3.86 -1.70 -3.09 115.15 116.67 1a5e h HIS 83 Ca 0.03 -0.23 0.07 0.00 -1.16 0.00 0.00 60.37 59.08 1a5e h HIS 83 Cb 0.38 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 1a5e h HIS 83 CO 0.00 1.01 -0.15 -0.44 0.86 0.00 0.00 177.93 179.22 1a5e h ASP 84 N 0.74 -0.49 0.18 2.45 3.32 -1.48 1.10 116.42 122.23 1a5e h ASP 84 Ca 0.11 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1a5e h ASP 84 Cb 0.70 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1a5e h ASP 84 CO 0.05 -0.18 -0.26 0.00 -1.72 0.00 0.00 179.24 177.13 1a5e h ALA 85 N 1.15 -0.89 -0.10 3.45 0.00 -1.46 -1.54 119.26 119.86 1a5e h ALA 85 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a5e h ALA 85 Cb 0.34 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1a5e h ALA 85 CO -0.37 -0.93 0.09 0.00 0.00 0.00 0.00 179.25 178.04 1a5e h ALA 86 N -1.22 1.90 -0.32 0.00 0.00 -1.43 -0.72 119.26 117.47 1a5e h ALA 86 Ca -0.02 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1a5e h ALA 86 Cb 0.42 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1a5e h ALA 86 CO -0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 1a5e h ARG 87 N 0.00 0.04 -0.26 0.00 3.08 0.23 -1.39 114.38 116.08 1a5e h ARG 87 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1a5e h ARG 87 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1a5e h ARG 87 CO -0.00 0.02 0.00 -1.91 -1.07 0.00 0.00 179.97 177.01 1a5e n GLU 88 N -5.23 2.12 -2.66 0.04 4.07 -1.00 -4.91 120.64 113.07 1a5e n GLU 88 Ca 0.01 -1.69 -0.09 0.00 -0.06 0.00 0.00 57.16 55.33 1a5e n GLU 88 Cb 0.18 -1.45 0.02 0.00 -0.06 0.00 0.00 31.44 30.12 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 1.32 0.23 3.28 8.31 0.00 -0.52 -4.97 105.19 112.83 1a5e n GLY 89 Ca 0.17 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.87 4.04 0.28 1.61 2.19 -0.34 -4.87 117.98 118.01 1a5e s PHE 90 Ca 0.15 -2.58 -0.02 0.00 0.33 0.00 0.00 56.93 54.81 1a5e s PHE 90 Cb -0.07 -3.70 0.41 0.00 -1.31 0.00 0.00 43.02 38.36 1a5e s PHE 90 CO 0.19 -0.92 1.93 1.25 1.83 0.00 0.00 175.22 179.50 1a5e h LEU 91 N 6.85 1.01 -1.26 6.12 6.46 -1.93 -1.74 115.31 130.81 1a5e h LEU 91 Ca 0.15 -0.01 0.29 0.00 -0.12 0.00 0.00 57.88 58.18 1a5e h LEU 91 Cb 0.91 -0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 40.49 1a5e h LEU 91 CO 0.90 0.70 0.67 0.44 -0.62 0.00 0.00 178.44 180.53 1a5e h ASP 92 N 1.17 0.48 -0.25 1.25 5.19 -1.97 0.34 116.42 122.63 1a5e h ASP 92 Ca 0.36 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.86 1a5e h ASP 92 Cb -0.00 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1a5e h ASP 92 CO -0.11 0.04 0.07 0.74 -3.12 0.00 0.00 179.24 176.86 1a5e h THR 93 N 0.39 1.20 -0.39 0.35 2.02 -1.63 -2.82 112.91 112.03 1a5e h THR 93 Ca 0.65 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1a5e h THR 93 Cb 1.59 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1a5e h THR 93 CO -0.38 0.21 0.15 -0.07 0.37 0.00 0.00 175.52 175.81 1a5e h LEU 94 N 0.24 0.54 -0.81 2.58 4.07 -0.45 -1.79 115.31 119.68 1a5e h LEU 94 Ca 0.08 -0.17 0.18 0.00 0.08 0.00 0.00 57.88 58.05 1a5e h LEU 94 Cb 0.26 -0.14 -0.12 0.00 1.08 0.00 0.00 40.66 41.74 1a5e h LEU 94 CO -0.00 0.57 0.28 0.58 -1.08 0.00 0.00 178.44 178.78 1a5e h VAL 95 N 0.49 0.50 -0.26 1.22 2.07 -0.89 0.16 116.25 119.54 1a5e h VAL 95 Ca 0.13 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1a5e h VAL 95 Cb 0.20 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1a5e h VAL 95 CO -0.01 0.06 -0.04 0.58 0.02 0.00 0.00 177.57 178.18 1a5e h VAL 96 N 0.34 1.27 -0.79 2.57 2.07 -1.22 0.99 116.25 121.48 1a5e h VAL 96 Ca 0.48 -1.02 0.12 0.00 0.82 0.00 0.00 66.70 67.10 1a5e h VAL 96 Cb 0.85 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 1a5e h VAL 96 CO -0.52 0.32 0.39 -0.07 0.02 0.00 0.00 177.57 177.71 1a5e h LEU 97 N 0.24 0.47 0.07 2.57 4.07 0.06 -0.98 115.31 121.82 1a5e h LEU 97 Ca 0.07 0.08 -0.28 0.00 0.08 0.00 0.00 57.88 57.83 1a5e h LEU 97 Cb 0.49 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1a5e h LEU 97 CO 0.02 0.23 -1.39 -0.74 -1.08 0.00 0.00 178.44 175.48 1a5e h HIS 98 N 0.60 0.29 0.00 1.13 2.76 -0.73 -0.87 115.15 118.33 1a5e h HIS 98 Ca 0.41 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1a5e h HIS 98 Cb 0.53 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1a5e h HIS 98 CO -0.11 1.22 0.00 -2.13 -1.30 0.00 0.00 177.93 175.62 1a5e n ARG 99 N -3.38 0.05 0.03 5.26 0.63 0.34 -4.34 116.66 115.24 1a5e n ARG 99 Ca -0.11 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1a5e n ARG 99 Cb 1.02 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 32.32 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a5e n ALA 100 N -1.57 3.00 -3.15 5.13 0.00 -0.46 -5.02 120.51 118.44 1a5e n ALA 100 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1a5e n ALA 100 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -3.83 -0.35 -0.30 0.00 0.00 -0.64 -5.09 107.32 97.11 1a5e s GLY 101 Ca 0.00 2.84 -0.12 0.00 0.00 0.00 0.00 44.72 47.44 1a5e s GLY 101 CO 0.00 4.01 0.88 0.00 0.00 0.00 0.00 173.10 177.99 1a5e s ALA 102 N 2.98 -2.64 -0.25 3.20 0.00 -0.43 -4.55 121.76 120.08 1a5e s ALA 102 Ca 0.03 1.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 1a5e s ALA 102 Cb -0.06 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1a5e s ALA 102 CO -0.12 -1.08 1.63 0.50 0.00 0.00 0.00 175.76 176.69 1a5e s ARG 103 N 2.67 3.72 -0.30 0.00 6.06 -1.26 -4.64 118.95 125.19 1a5e s ARG 103 Ca 0.00 1.58 0.10 0.00 -2.50 0.00 0.00 55.73 54.92 1a5e s ARG 103 Cb -0.09 -4.06 0.62 0.00 0.06 0.00 0.00 34.95 31.48 1a5e s ARG 103 CO -0.17 -1.39 1.64 1.28 -2.50 0.00 0.00 175.30 174.16 1a5e n LEU 104 N 8.73 5.12 -2.52 -0.88 4.32 -1.26 -4.56 117.00 125.96 1a5e n LEU 104 Ca 0.19 -3.40 -0.18 0.00 -0.02 0.00 0.00 56.01 52.61 1a5e n LEU 104 Cb 0.46 -0.68 0.02 0.00 -1.62 0.00 0.00 43.42 41.59 1a5e n LEU 104 CO 0.66 0.95 0.06 -0.90 -1.22 0.00 0.00 177.39 176.93 1a5e n ASP 105 N -0.66 3.31 -1.82 -1.43 5.68 -1.22 -3.25 116.55 117.17 1a5e n ASP 105 Ca 0.37 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1a5e n ASP 105 Cb 1.22 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1a5e n VAL 106 N -0.38 0.00 -3.93 2.12 3.14 -1.26 -4.96 118.33 113.06 1a5e n VAL 106 Ca 0.26 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.54 1a5e n VAL 106 Cb 0.77 -0.39 -0.12 0.00 -1.06 0.00 0.00 33.84 33.04 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 -1.65 0.23 -0.91 1.45 1.70 -1.26 -4.35 118.95 114.16 1a5e s ARG 107 Ca 0.00 -0.38 -0.15 0.00 -0.47 0.00 0.00 55.73 54.72 1a5e s ARG 107 Cb 0.00 0.09 -0.10 0.00 -0.57 0.00 0.00 34.95 34.37 1a5e s ARG 107 CO 0.00 -0.04 2.05 -0.25 -1.08 0.00 0.00 175.30 175.98 1a5e n ASP 108 N 2.06 3.64 0.00 -2.89 9.92 0.79 -4.71 116.55 125.36 1a5e n ASP 108 Ca -0.20 -2.57 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 1a5e n ASP 108 Cb 0.57 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 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 6.13 0.00 -0.69 2.24 0.00 -0.24 0.78 120.51 128.73 1a5e n ALA 109 Ca 0.49 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.97 1a5e n ALA 109 Cb 0.31 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.87 117.44 113.44 1a5e n TRP 110 Ca 0.00 -0.65 0.00 0.00 2.07 0.00 0.00 57.50 58.92 1a5e n TRP 110 Cb 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 31.31 30.41 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 -0.84 0.70 0.00 -1.67 0.00 0.23 -5.13 105.19 98.48 1a5e n GLY 111 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1a5e n GLY 111 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 112 N -0.90 0.00 -3.27 1.61 0.63 -1.26 -4.91 116.66 108.56 1a5e n ARG 112 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1a5e n ARG 112 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1a5e s LEU 113 N 0.00 3.86 0.55 6.15 1.43 -1.26 -0.15 118.68 129.26 1a5e s LEU 113 Ca 0.00 0.18 0.36 0.00 -1.03 0.00 0.00 54.13 53.64 1a5e s LEU 113 Cb 0.00 -3.06 1.73 0.00 0.03 0.00 0.00 46.19 44.89 1a5e s LEU 113 CO 0.00 -0.50 2.09 1.55 0.23 0.00 0.00 176.35 179.72 1a5e h PRO 114 N 0.66 0.00 0.14 1.29 0.13 -1.91 -2.52 132.00 129.80 1a5e h PRO 114 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 1a5e h PRO 114 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1a5e h PRO 114 CO 0.57 0.00 -1.27 -0.24 -0.23 0.00 0.00 178.00 176.84 1a5e h VAL 115 N 0.00 1.42 -0.55 1.56 3.04 -1.91 -2.93 116.25 116.88 1a5e h VAL 115 Ca 0.00 -2.86 -0.11 0.00 -1.01 0.00 0.00 66.70 62.72 1a5e h VAL 115 Cb 0.27 2.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.42 1a5e h VAL 115 CO 0.00 0.85 -0.09 0.44 -1.01 0.00 0.00 177.57 177.76 1a5e h ASP 116 N 0.12 1.02 -0.06 3.17 5.19 -1.85 -2.93 116.42 121.09 1a5e h ASP 116 Ca -0.16 -0.33 -0.13 0.00 -0.62 0.00 0.00 57.03 55.80 1a5e h ASP 116 Cb 1.97 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 41.19 1a5e h ASP 116 CO 0.22 1.12 -0.37 0.25 -3.12 0.00 0.00 179.24 177.34 1a5e h LEU 117 N 0.91 0.59 0.29 1.55 6.46 -1.62 -2.75 115.31 120.75 1a5e h LEU 117 Ca 0.15 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1a5e h LEU 117 Cb 0.65 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1a5e h LEU 117 CO 0.05 0.90 -0.32 0.00 -0.62 0.00 0.00 178.44 178.44 1a5e h ALA 118 N 1.13 -0.67 -0.78 1.25 0.00 -1.33 -1.74 119.26 117.12 1a5e h ALA 118 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a5e h ALA 118 Cb 0.86 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1a5e h ALA 118 CO 0.07 -0.91 0.49 0.93 0.00 0.00 0.00 179.25 179.83 1a5e h GLU 119 N -0.66 1.05 -0.90 0.00 5.08 -1.55 0.40 114.58 118.01 1a5e h GLU 119 Ca -0.01 -0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1a5e h GLU 119 Cb 0.61 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1a5e h GLU 119 CO -0.08 0.72 0.58 0.93 -1.00 0.00 0.00 179.01 180.16 1a5e h GLU 120 N 1.07 0.80 -0.01 2.33 4.39 -1.16 0.27 114.58 122.27 1a5e h GLU 120 Ca 0.28 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1a5e h GLU 120 Cb -0.07 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1a5e h GLU 120 CO -0.06 0.53 -0.07 1.28 -1.16 0.00 0.00 179.01 179.53 1a5e n LEU 121 N -4.55 0.82 0.00 1.33 4.77 -0.69 -4.90 117.00 113.78 1a5e n LEU 121 Ca 0.16 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1a5e n LEU 121 Cb 0.37 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1a5e n LEU 121 CO 0.30 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1a5e n GLY 122 N 1.20 0.80 2.64 -0.72 0.00 0.95 -4.97 105.19 105.09 1a5e n GLY 122 Ca 0.17 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1a5e n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5e n HIS 123 N -2.78 3.09 -0.36 1.61 -0.00 0.13 -4.74 115.22 112.18 1a5e n HIS 123 Ca 0.00 -2.62 0.26 0.00 -0.00 0.00 0.00 57.72 55.36 1a5e n HIS 123 Cb 0.17 -1.14 0.52 0.00 -0.00 0.00 0.00 29.99 29.54 1a5e n HIS 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a5e h ARG 124 N 2.59 0.31 -0.74 -0.41 3.08 -1.86 0.66 114.38 118.00 1a5e h ARG 124 Ca 0.55 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.62 1a5e h ARG 124 Cb 0.44 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1a5e h ARG 124 CO 1.41 0.20 0.46 -0.44 -1.07 0.00 0.00 179.97 180.53 1a5e h ASP 125 N 0.32 0.74 0.19 7.04 5.19 -1.95 -1.05 116.42 126.89 1a5e h ASP 125 Ca 0.70 0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.87 1a5e h ASP 125 Cb 1.78 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 41.16 1a5e h ASP 125 CO -0.46 0.50 -1.01 0.58 -3.12 0.00 0.00 179.24 175.73 1a5e h VAL 126 N 0.88 1.34 -0.85 -1.35 2.07 -0.14 -3.25 116.25 114.95 1a5e h VAL 126 Ca 0.31 -2.37 0.04 0.00 0.82 0.00 0.00 66.70 65.49 1a5e h VAL 126 Cb 0.06 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1a5e h VAL 126 CO -0.13 0.72 0.54 0.00 0.02 0.00 0.00 177.57 178.72 1a5e h ALA 127 N 0.57 1.13 0.58 1.67 0.00 -0.46 0.44 119.26 123.18 1a5e h ALA 127 Ca -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1a5e h ALA 127 Cb 1.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1a5e h ALA 127 CO 0.19 0.36 -0.44 -0.09 0.00 0.00 0.00 179.25 179.27 1a5e h ARG 128 N 1.04 -0.94 -0.12 0.00 2.43 -1.24 0.82 114.38 116.37 1a5e h ARG 128 Ca 0.35 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.61 1a5e h ARG 128 Cb 0.04 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1a5e h ARG 128 CO -0.13 -0.63 0.14 -0.92 -1.51 0.00 0.00 179.97 176.93 1a5e h TYR 129 N -0.98 0.00 0.06 2.20 3.20 -1.56 -2.13 116.97 117.76 1a5e h TYR 129 Ca -0.08 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1a5e h TYR 129 Cb 0.81 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1a5e h TYR 129 CO -0.15 0.00 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.27 1a5e h LEU 130 N 0.00 -0.07 -1.72 2.82 3.38 0.55 -2.49 115.31 117.78 1a5e h LEU 130 Ca 0.06 -0.56 0.09 0.00 0.09 0.00 0.00 57.88 57.56 1a5e h LEU 130 Cb 0.34 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1a5e h LEU 130 CO -0.00 0.62 0.54 -0.09 0.09 0.00 0.00 178.44 179.61 1a5e h ARG 131 N -0.87 0.00 0.00 1.13 2.43 0.13 1.19 114.38 118.38 1a5e h ARG 131 Ca -0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1a5e h ARG 131 Cb 0.63 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1a5e h ARG 131 CO 0.01 0.00 -0.30 0.00 -1.51 0.00 0.00 179.97 178.18 1a5e h ALA 132 N 1.21 0.03 0.00 2.80 0.00 -1.45 -2.63 119.26 119.22 1a5e h ALA 132 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a5e h ALA 132 Cb 1.23 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1a5e h ALA 132 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1a5e n ALA 133 N -3.09 2.54 -0.09 0.00 0.00 -0.73 -3.75 120.51 115.40 1a5e n ALA 133 Ca -0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1a5e n ALA 133 Cb 0.23 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.08 1.67 -2.00 0.00 0.00 0.40 -3.38 120.51 116.12 1a5e n ALA 134 Ca 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1a5e n ALA 134 Cb 0.14 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1a5e n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 135 N 2.54 0.53 1.19 0.00 0.00 -0.99 -4.43 105.19 104.04 1a5e n GLY 135 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 4.63 -2.29 1.00 -0.02 0.00 -1.21 -4.91 105.19 102.39 1a5e n GLY 136 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.63 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 0.12 1.04 -4.02 2.61 -2.24 -1.26 -4.88 114.28 105.65 1a5e n THR 137 Ca 0.00 -0.59 -0.32 0.00 -2.27 0.00 0.00 64.05 60.88 1a5e n THR 137 Cb 0.00 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 1a5e n THR 137 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1a5e s ARG 138 N -1.73 3.13 0.00 -0.78 3.52 -1.26 -4.91 118.95 116.92 1a5e s ARG 138 Ca 0.24 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1a5e s ARG 138 Cb 0.17 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1a5e s ARG 138 CO 0.09 0.62 0.00 0.41 -0.81 0.00 0.00 175.30 175.61 1a5e n GLY 139 N 0.75 -0.98 3.76 8.12 0.00 -1.26 -5.14 105.19 110.43 1a5e n GLY 139 Ca -0.10 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1a5e n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5e s SER 140 N -4.00 -0.07 -0.14 1.61 1.04 -1.26 -5.10 113.70 105.78 1a5e s SER 140 Ca 0.00 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 1a5e s SER 140 Cb 0.00 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1a5e s SER 140 CO 0.00 -0.62 0.11 0.59 0.98 0.00 0.00 173.24 174.29 1a5e n ASN 141 N -0.70 -4.53 0.00 7.02 3.02 -1.26 -4.94 115.26 113.88 1a5e n ASN 141 Ca -0.05 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1a5e n ASN 141 Cb 0.61 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1a5e n ASN 141 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a5e n HIS 142 N 1.67 0.00 -2.00 3.10 8.25 -1.26 -4.71 115.22 120.27 1a5e n HIS 142 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1a5e n HIS 142 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 -3.00 -0.57 -1.82 -1.41 0.00 -1.26 -4.89 120.51 107.55 1a5e n ALA 143 Ca 0.00 0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 1a5e n ALA 143 Cb 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 1a5e n ALA 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a5e s ARG 144 N -4.15 4.42 0.42 0.00 3.52 -1.26 -5.03 118.95 116.87 1a5e s ARG 144 Ca 0.00 1.21 -0.23 0.00 -0.13 0.00 0.00 55.73 56.57 1a5e s ARG 144 Cb 0.00 -2.56 -0.09 0.00 -1.56 0.00 0.00 34.95 30.74 1a5e s ARG 144 CO 0.00 0.17 1.07 -1.50 -0.81 0.00 0.00 175.30 174.22 1a5e s ILE 145 N -1.83 3.63 0.00 4.11 2.07 -1.26 -4.93 121.20 122.99 1a5e s ILE 145 Ca 0.54 1.21 0.00 0.00 -1.41 0.00 0.00 60.65 60.99 1a5e s ILE 145 Cb -0.15 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.84 1a5e s ILE 145 CO 0.19 -0.03 0.00 0.47 -1.91 0.00 0.00 174.94 173.66 1a5e n ASP 146 N -0.28 0.00 -2.78 4.50 9.92 -1.26 -5.11 116.55 121.54 1a5e n ASP 146 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1a5e n ASP 146 Cb 0.50 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.00 -4.16 -0.27 2.24 0.00 -1.26 -5.11 121.76 113.20 1a5e s ALA 147 Ca 0.00 0.92 -0.36 0.00 0.00 0.00 0.00 51.96 52.52 1a5e s ALA 147 Cb 0.00 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.03 1a5e s ALA 147 CO 0.00 -2.47 2.01 0.00 0.00 0.00 0.00 175.76 175.30 1a5e n ALA 148 N 3.43 0.74 -1.91 0.00 0.00 -1.26 -4.92 120.51 116.59 1a5e n ALA 148 Ca 0.08 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1a5e n ALA 148 Cb 0.63 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 5.07 4.26 -0.09 0.00 2.12 -1.26 -4.68 118.70 124.12 1a5e s GLU 149 Ca 1.03 1.04 -0.07 0.00 0.36 0.00 0.00 54.97 57.33 1a5e s GLU 149 Cb -0.86 -2.42 0.03 0.00 0.26 0.00 0.00 34.13 31.13 1a5e s GLU 149 CO 0.54 0.11 0.13 0.41 -0.54 0.00 0.00 175.26 175.91 1a5e n GLY 150 N -0.21 -4.58 3.78 -1.50 0.00 -1.26 -4.95 105.19 96.47 1a5e n GLY 150 Ca 0.04 0.81 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.85 3.76 -0.36 1.61 0.04 -1.26 -5.01 135.00 132.93 1a5e s PRO 151 Ca -0.15 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1a5e s PRO 151 Cb 0.01 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 1a5e s PRO 151 CO 0.41 -0.52 0.41 -1.12 0.04 0.00 0.00 177.00 176.22 1a5e s SER 152 N -1.54 6.22 0.76 6.66 0.01 -1.26 -5.06 113.70 119.48 1a5e s SER 152 Ca 0.65 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.53 1a5e s SER 152 Cb -0.25 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1a5e s SER 152 CO 0.30 -0.41 1.15 1.51 0.41 0.00 0.00 173.24 176.20 1a5e s ASP 153 N 1.75 4.21 -0.36 2.44 -4.77 -1.26 -5.01 116.67 113.67 1a5e s ASP 153 Ca 0.14 2.14 0.02 0.00 -3.30 0.00 0.00 52.55 51.55 1a5e s ASP 153 Cb -0.16 -2.56 0.11 0.00 -1.09 0.00 0.00 42.92 39.21 1a5e s ASP 153 CO 0.12 -2.24 0.11 -0.63 0.70 0.00 0.00 175.17 173.23 1a5e s ILE 154 N -2.37 1.81 -0.17 2.11 -1.09 -1.26 -5.08 121.20 115.15 1a5e s ILE 154 Ca 0.69 -2.20 -0.29 0.00 -2.23 0.00 0.00 60.65 56.62 1a5e s ILE 154 Cb -0.24 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1a5e s ILE 154 CO 0.49 -0.68 1.47 -2.16 -1.23 0.00 0.00 174.94 172.83 1a5e s PRO 155 N 0.92 4.05 0.00 2.79 0.04 -1.26 -5.37 135.00 136.17 1a5e s PRO 155 Ca 0.12 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1a5e s PRO 155 Cb -0.20 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1a5e s PRO 155 CO -0.11 -0.97 0.00 -0.25 0.04 0.00 0.00 177.00 175.71