#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm s SER 2 N 0.00 -1.04 0.02 1.61 1.04 -1.26 -5.17 113.70 108.91 2dmm s SER 2 Ca 0.00 1.54 -0.17 0.00 0.48 0.00 0.00 55.95 57.80 2dmm s SER 2 Cb 0.00 1.82 0.03 0.00 0.10 0.00 0.00 66.02 67.97 2dmm s SER 2 CO 0.00 -0.23 0.37 -0.44 0.98 0.00 0.00 173.24 173.92 2dmm s SER 3 N 2.23 -0.24 0.00 7.02 0.01 -1.26 -5.12 113.70 116.34 2dmm s SER 3 Ca -0.08 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2dmm s SER 3 Cb -0.08 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2dmm s SER 3 CO -0.19 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2dmm n GLY 4 N 0.74 -1.88 2.73 3.44 0.00 -1.26 -5.14 105.19 103.81 2dmm n GLY 4 Ca -0.19 0.94 -0.27 0.00 0.00 0.00 0.00 46.02 46.49 2dmm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmm s SER 5 N 0.00 2.85 -0.29 1.61 1.04 -1.26 -5.11 113.70 112.54 2dmm s SER 5 Ca 0.00 -0.79 -0.21 0.00 0.48 0.00 0.00 55.95 55.43 2dmm s SER 5 Cb 0.00 -0.58 0.17 0.00 0.10 0.00 0.00 66.02 65.71 2dmm s SER 5 CO 0.00 -0.30 1.21 -0.55 0.98 0.00 0.00 173.24 174.58 2dmm s SER 6 N 1.87 -0.24 0.00 7.02 0.15 -1.26 -5.08 113.70 116.15 2dmm s SER 6 Ca -0.01 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2dmm s SER 6 Cb -0.17 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2dmm s SER 6 CO -0.08 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dmm n GLY 7 N 2.53 0.00 3.66 9.45 0.00 -1.26 -5.13 105.19 114.44 2dmm n GLY 7 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2dmm n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmm s PHE 8 N 0.00 2.83 -0.06 1.61 0.08 -1.26 -5.01 117.98 116.17 2dmm s PHE 8 Ca 0.00 0.99 -0.04 0.00 0.12 0.00 0.00 56.93 57.99 2dmm s PHE 8 Cb 0.00 -3.51 0.02 0.00 -0.57 0.00 0.00 43.02 38.96 2dmm s PHE 8 CO 0.00 -1.75 0.14 0.34 -0.10 0.00 0.00 175.22 173.85 2dmm s ASP 9 N 2.01 -0.14 0.00 1.36 2.15 -1.26 -5.05 116.67 115.74 2dmm s ASP 9 Ca 0.55 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.82 2dmm s ASP 9 Cb -0.22 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2dmm s ASP 9 CO 0.15 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 2dmm n GLY 10 N 3.34 1.28 3.56 2.66 0.00 -1.26 -5.07 105.19 109.69 2dmm n GLY 10 Ca -0.16 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 2dmm n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dmm n ASN 11 N 0.00 1.68 -4.56 1.61 3.02 -1.26 -4.85 115.26 110.90 2dmm n ASN 11 Ca 0.00 -1.40 -0.32 0.00 -0.03 0.00 0.00 54.58 52.83 2dmm n ASN 11 Cb 0.00 -1.61 -0.04 0.00 -0.61 0.00 0.00 39.78 37.52 2dmm n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dmm s LEU 12 N 14.05 3.23 -0.25 3.41 1.43 -1.26 -4.88 118.68 134.41 2dmm s LEU 12 Ca 0.95 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.41 2dmm s LEU 12 Cb -0.17 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.57 2dmm s LEU 12 CO 0.11 -2.47 0.61 -1.59 0.23 0.00 0.00 176.35 173.24 2dmm s LYS 13 N 6.73 0.62 -0.30 1.70 0.00 -1.26 -4.94 119.74 122.28 2dmm s LYS 13 Ca 0.65 1.10 -0.17 0.00 0.00 0.00 0.00 55.97 57.55 2dmm s LYS 13 Cb -0.07 0.09 0.18 0.00 0.00 0.00 0.00 37.83 38.03 2dmm s LYS 13 CO 0.04 -0.15 1.13 0.50 0.00 0.00 0.00 175.35 176.87 2dmm s ARG 14 N 1.57 0.17 -0.01 1.78 6.06 -1.26 -5.05 118.95 122.22 2dmm s ARG 14 Ca -0.10 0.40 -0.18 0.00 -2.50 0.00 0.00 55.73 53.36 2dmm s ARG 14 Cb -0.06 0.21 0.03 0.00 0.06 0.00 0.00 34.95 35.19 2dmm s ARG 14 CO -0.18 -0.05 0.38 1.52 -2.50 0.00 0.00 175.30 174.47 2dmm s TYR 15 N 2.03 -0.27 -0.17 5.12 1.13 -1.26 -4.22 117.35 119.71 2dmm s TYR 15 Ca -0.03 0.40 0.05 0.00 -1.41 0.00 0.00 57.07 56.09 2dmm s TYR 15 Cb -0.03 0.16 -0.22 0.00 -1.10 0.00 0.00 41.96 40.76 2dmm s TYR 15 CO -0.16 -0.45 0.15 1.47 -2.51 0.00 0.00 175.55 174.05 2dmm n LEU 16 N 1.13 1.86 -4.50 -3.49 -0.00 -1.26 -4.97 117.00 105.76 2dmm n LEU 16 Ca -0.21 0.08 -0.25 0.00 -0.00 0.00 0.00 56.01 55.63 2dmm n LEU 16 Cb 0.57 -0.46 -0.10 0.00 -0.00 0.00 0.00 43.42 43.42 2dmm n LEU 16 CO 0.22 0.72 -0.46 -0.75 -0.00 0.00 0.00 177.39 177.13 2dmm s LYS 17 N -2.54 1.79 0.12 1.47 2.20 -1.26 -5.03 119.74 116.49 2dmm s LYS 17 Ca -0.21 -1.57 -0.24 0.00 -0.36 0.00 0.00 55.97 53.59 2dmm s LYS 17 Cb 0.08 -1.91 0.07 0.00 -1.51 0.00 0.00 37.83 34.55 2dmm s LYS 17 CO 0.73 0.37 0.60 -1.54 -0.36 0.00 0.00 175.35 175.16 2dmm s SER 18 N -3.19 -0.57 0.27 1.43 1.04 -1.26 -3.23 113.70 108.20 2dmm s SER 18 Ca 0.27 0.12 0.08 0.00 0.48 0.00 0.00 55.95 56.90 2dmm s SER 18 Cb -0.07 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2dmm s SER 18 CO 0.14 -0.89 0.15 -1.61 0.98 0.00 0.00 173.24 172.01 2dmm s GLU 19 N -3.25 2.72 0.31 4.02 0.41 -1.26 -4.92 118.70 116.73 2dmm s GLU 19 Ca -0.01 -1.20 -0.29 0.00 -0.41 0.00 0.00 54.97 53.06 2dmm s GLU 19 Cb -0.01 -2.43 -0.10 0.00 -1.78 0.00 0.00 34.13 29.81 2dmm s GLU 19 CO -0.08 0.34 1.23 -1.25 -0.49 0.00 0.00 175.26 175.01 2dmm s PRO 20 N -3.82 4.46 0.11 0.39 0.04 -1.26 -4.56 135.00 130.37 2dmm s PRO 20 Ca 0.34 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 2dmm s PRO 20 Cb -0.07 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 2dmm s PRO 20 CO 0.24 -0.04 1.38 0.42 0.04 0.00 0.00 177.00 179.04 2dmm s ILE 21 N -1.14 3.37 0.16 0.56 -1.09 -1.26 -4.97 121.20 116.83 2dmm s ILE 21 Ca 0.47 0.98 -0.31 0.00 -2.23 0.00 0.00 60.65 59.57 2dmm s ILE 21 Cb -0.37 -3.63 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 2dmm s ILE 21 CO 0.48 0.07 1.33 -2.16 -1.23 0.00 0.00 174.94 173.44 2dmm s PRO 22 N 1.16 4.36 0.31 2.79 0.04 -1.26 -4.91 135.00 137.50 2dmm s PRO 22 Ca 0.64 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.80 2dmm s PRO 22 Cb -0.36 -3.23 0.87 0.00 0.04 0.00 0.00 34.50 31.83 2dmm s PRO 22 CO 0.30 -0.33 1.65 1.05 0.04 0.00 0.00 177.00 179.71 2dmm h GLU 23 N 6.04 0.24 -2.05 4.56 4.11 -2.04 -3.41 114.58 122.03 2dmm h GLU 23 Ca -0.43 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 2dmm h GLU 23 Cb 1.21 -0.05 -0.21 0.00 0.50 0.00 0.00 28.75 30.20 2dmm h GLU 23 CO 0.81 0.16 0.08 -1.12 0.07 0.00 0.00 179.01 179.01 2dmm s SER 24 N -5.00 -0.77 -0.87 3.06 0.01 -1.26 -5.10 113.70 103.76 2dmm s SER 24 Ca -0.11 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 58.56 2dmm s SER 24 Cb 0.28 1.41 0.21 0.00 0.21 0.00 0.00 66.02 68.13 2dmm s SER 24 CO 0.78 -0.24 0.75 0.20 0.41 0.00 0.00 173.24 175.14 2dmm s ASN 25 N 0.65 5.89 -0.90 2.44 0.01 -1.26 -4.93 114.94 116.84 2dmm s ASN 25 Ca -0.02 -3.71 -0.01 0.00 -0.71 0.00 0.00 52.86 48.41 2dmm s ASN 25 Cb -0.05 -1.89 0.34 0.00 0.41 0.00 0.00 41.25 40.06 2dmm s ASN 25 CO -0.04 -0.18 1.84 -0.90 -1.51 0.00 0.00 177.10 176.31 2dmm n ASP 26 N 2.34 7.17 -2.34 -1.22 5.75 -1.26 -4.93 116.55 122.05 2dmm n ASP 26 Ca 0.21 -3.75 -0.08 0.00 -0.01 0.00 0.00 54.79 51.15 2dmm n ASP 26 Cb 0.37 -1.06 -0.02 0.00 -1.03 0.00 0.00 41.12 39.37 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dmm n GLY 27 N -0.29 3.88 0.23 6.12 0.00 -1.26 -5.06 105.19 108.80 2dmm n GLY 27 Ca 0.49 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 2dmm n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm h PRO 28 N 0.00 0.79 -5.10 1.61 0.13 -1.90 -3.43 132.00 124.11 2dmm h PRO 28 Ca -0.10 -0.42 -0.66 0.00 -0.87 0.00 0.00 66.00 63.95 2dmm h PRO 28 Cb 0.38 0.02 -0.30 0.00 0.13 0.00 0.00 31.00 31.23 2dmm h PRO 28 CO 0.17 1.05 -0.77 0.08 -0.23 0.00 0.00 178.00 178.29 2dmm s VAL 29 N -4.37 2.91 0.13 1.56 1.01 -1.26 -3.57 120.40 116.81 2dmm s VAL 29 Ca -0.12 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 2dmm s VAL 29 Cb 0.10 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 2dmm s VAL 29 CO 0.85 0.48 1.42 -0.54 0.00 0.00 0.00 175.10 177.31 2dmm s LYS 30 N 1.13 4.31 -0.47 2.72 -0.14 -0.97 -4.72 119.74 121.60 2dmm s LYS 30 Ca 0.01 2.12 -0.28 0.00 -1.36 0.00 0.00 55.97 56.46 2dmm s LYS 30 Cb -0.14 -3.23 0.03 0.00 -1.68 0.00 0.00 37.83 32.81 2dmm s LYS 30 CO -0.03 -0.46 1.09 0.08 -0.76 0.00 0.00 175.35 175.27 2dmm s VAL 31 N 1.03 4.28 -0.31 3.17 1.01 -1.26 -0.44 120.40 127.88 2dmm s VAL 31 Ca 0.65 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 2dmm s VAL 31 Cb -0.38 -4.56 -0.00 0.00 0.00 0.00 0.00 36.38 31.44 2dmm s VAL 31 CO 0.31 -0.95 0.14 -0.69 0.00 0.00 0.00 175.10 173.91 2dmm s VAL 32 N 4.27 4.47 0.03 2.92 1.01 0.68 -4.94 120.40 128.84 2dmm s VAL 32 Ca 0.45 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2dmm s VAL 32 Cb -0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2dmm s VAL 32 CO 0.30 0.04 -0.02 0.68 0.00 0.00 0.00 175.10 176.11 2dmm s VAL 33 N 1.58 3.99 0.20 2.92 -7.23 -1.26 -4.27 120.40 116.34 2dmm s VAL 33 Ca 0.04 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2dmm s VAL 33 Cb -0.17 -2.81 0.29 0.00 0.56 0.00 0.00 36.38 34.25 2dmm s VAL 33 CO 0.05 0.29 1.06 0.00 -0.31 0.00 0.00 175.10 176.20 2dmm n ALA 34 N 1.16 0.29 -0.16 1.32 0.00 -1.26 0.19 120.51 122.04 2dmm n ALA 34 Ca -0.13 0.73 -0.02 0.00 0.00 0.00 0.00 53.44 54.01 2dmm n ALA 34 Cb 0.52 -0.50 0.05 0.00 0.00 0.00 0.00 19.45 19.53 2dmm n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dmm h GLU 35 N 0.00 0.09 -0.44 0.00 4.39 -1.88 -1.82 114.58 114.92 2dmm h GLU 35 Ca 0.38 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.87 2dmm h GLU 35 Cb 0.73 -0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.24 2dmm h GLU 35 CO -0.66 0.06 0.05 0.27 -1.16 0.00 0.00 179.01 177.57 2dmm n ASN 36 N -5.25 2.93 -0.03 1.42 6.94 0.50 -4.62 115.26 117.15 2dmm n ASN 36 Ca 0.05 -3.63 -0.16 0.00 -0.02 0.00 0.00 54.58 50.83 2dmm n ASN 36 Cb 0.27 -0.66 -0.09 0.00 -2.36 0.00 0.00 39.78 36.94 2dmm n ASN 36 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2dmm h PHE 37 N 1.17 0.64 0.00 -2.53 3.04 0.20 -2.58 116.94 116.88 2dmm h PHE 37 Ca 0.25 -0.28 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2dmm h PHE 37 Cb 1.83 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.24 2dmm h PHE 37 CO 1.05 1.04 0.00 -0.40 -2.02 0.00 0.00 178.31 177.98 2dmm n ASP 38 N -4.29 0.00 -0.05 0.41 5.68 -1.26 -1.04 116.55 116.00 2dmm n ASP 38 Ca -0.08 -0.18 -0.19 0.00 -0.50 0.00 0.00 54.79 53.84 2dmm n ASP 38 Cb 0.57 -0.23 -0.13 0.00 -1.14 0.00 0.00 41.12 40.19 2dmm n ASP 38 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2dmm n GLU 39 N -1.23 0.71 -0.06 0.11 2.13 -1.14 -4.17 120.64 116.98 2dmm n GLU 39 Ca 0.12 0.21 -0.06 0.00 0.66 0.00 0.00 57.16 58.10 2dmm n GLU 39 Cb 0.16 -1.63 -0.02 0.00 0.27 0.00 0.00 31.44 30.22 2dmm n GLU 39 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2dmm n ILE 40 N -3.34 0.97 0.21 6.31 5.41 -0.98 -4.72 119.36 123.22 2dmm n ILE 40 Ca -0.37 0.27 -0.16 0.00 1.00 0.00 0.00 62.75 63.49 2dmm n ILE 40 Cb 1.03 -2.06 -0.09 0.00 -0.71 0.00 0.00 39.64 37.81 2dmm n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dmm h VAL 41 N -0.65 0.00 -2.48 1.39 2.07 -1.31 -3.40 116.25 111.87 2dmm h VAL 41 Ca 0.00 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.97 2dmm h VAL 41 Cb 0.62 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2dmm h VAL 41 CO 0.00 0.00 1.18 0.20 0.02 0.00 0.00 177.57 178.97 2dmm s ASN 42 N -4.31 6.46 -0.30 0.57 -0.87 -0.99 -4.85 114.94 110.65 2dmm s ASN 42 Ca -0.16 2.33 -0.16 0.00 -1.57 0.00 0.00 52.86 53.30 2dmm s ASN 42 Cb 0.05 -2.53 0.18 0.00 -0.02 0.00 0.00 41.25 38.92 2dmm s ASN 42 CO 0.56 -1.09 1.13 0.20 -2.57 0.00 0.00 177.10 175.33 2dmm s ASN 43 N 4.25 -0.32 -0.47 -1.22 0.01 -1.26 -4.54 114.94 111.40 2dmm s ASN 43 Ca 0.81 0.29 0.03 0.00 -0.71 0.00 0.00 52.86 53.28 2dmm s ASN 43 Cb -0.36 1.30 0.61 0.00 0.41 0.00 0.00 41.25 43.21 2dmm s ASN 43 CO 0.35 -0.06 1.91 -1.84 -1.51 0.00 0.00 177.10 175.95 2dmm n GLU 44 N 5.17 2.28 0.00 -0.60 -0.00 -1.26 -4.21 120.64 122.01 2dmm n GLU 44 Ca -0.08 -2.94 0.00 0.00 -0.00 0.00 0.00 57.16 54.14 2dmm n GLU 44 Cb 0.54 -2.15 0.00 0.00 -0.00 0.00 0.00 31.44 29.83 2dmm n GLU 44 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2dmm n ASN 45 N -1.05 3.08 -4.34 -1.84 4.13 -1.26 -4.02 115.26 109.97 2dmm n ASN 45 Ca 0.58 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.66 2dmm n ASN 45 Cb 1.47 0.07 -0.10 0.00 -1.54 0.00 0.00 39.78 39.68 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2dmm s LYS 46 N -1.73 1.30 0.17 3.52 -2.85 -1.26 -5.02 119.74 113.88 2dmm s LYS 46 Ca 0.00 -1.59 -0.29 0.00 -1.00 0.00 0.00 55.97 53.09 2dmm s LYS 46 Cb 0.00 -0.98 -0.08 0.00 -2.06 0.00 0.00 37.83 34.72 2dmm s LYS 46 CO 0.00 0.12 0.91 -0.51 0.10 0.00 0.00 175.35 175.97 2dmm s ASP 47 N -3.30 7.53 -0.07 0.03 1.01 -0.21 -4.59 116.67 117.07 2dmm s ASP 47 Ca 0.23 1.82 -0.05 0.00 0.71 0.00 0.00 52.55 55.26 2dmm s ASP 47 Cb 0.01 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.39 2dmm s ASP 47 CO 0.06 0.09 0.17 -0.69 0.21 0.00 0.00 175.17 175.01 2dmm s VAL 48 N -0.72 -0.01 -0.07 -1.27 1.01 -0.86 -1.36 120.40 117.12 2dmm s VAL 48 Ca 0.42 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.49 2dmm s VAL 48 Cb -0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2dmm s VAL 48 CO 0.30 0.02 -0.18 -0.22 0.00 0.00 0.00 175.10 175.02 2dmm s LEU 49 N 0.43 2.47 -0.06 3.92 2.96 -1.12 0.13 118.68 127.41 2dmm s LEU 49 Ca -0.03 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2dmm s LEU 49 Cb -0.04 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2dmm s LEU 49 CO -0.02 0.27 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.59 2dmm s ILE 50 N -0.31 2.66 -0.22 6.68 1.10 0.85 -2.00 121.20 129.96 2dmm s ILE 50 Ca 0.02 -0.86 0.00 0.00 -0.51 0.00 0.00 60.65 59.30 2dmm s ILE 50 Cb -0.13 -2.02 0.06 0.00 0.15 0.00 0.00 42.46 40.52 2dmm s ILE 50 CO 0.03 0.57 -0.04 -0.70 -2.11 0.00 0.00 174.94 172.68 2dmm s GLU 51 N -0.39 1.49 0.08 3.50 -6.30 -1.14 0.45 118.70 116.38 2dmm s GLU 51 Ca 0.04 -0.84 -0.21 0.00 -2.50 0.00 0.00 54.97 51.45 2dmm s GLU 51 Cb -0.12 -2.44 -0.07 0.00 0.00 0.00 0.00 34.13 31.50 2dmm s GLU 51 CO 0.02 -0.57 0.64 -0.06 0.02 0.00 0.00 175.26 175.31 2dmm s PHE 52 N 1.49 3.81 0.29 5.30 0.08 0.40 -2.06 117.98 127.29 2dmm s PHE 52 Ca -0.04 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.37 2dmm s PHE 52 Cb -0.18 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 2dmm s PHE 52 CO -0.07 0.50 0.32 1.52 -0.10 0.00 0.00 175.22 177.40 2dmm s TYR 53 N -0.87 1.21 -0.04 0.36 -0.85 -1.15 -1.98 117.35 114.04 2dmm s TYR 53 Ca 0.32 -1.36 0.03 0.00 -0.52 0.00 0.00 57.07 55.54 2dmm s TYR 53 Cb -0.20 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.77 2dmm s TYR 53 CO 0.21 -0.90 -0.12 0.00 -1.52 0.00 0.00 175.55 173.22 2dmm s ALA 54 N -3.60 1.11 -0.28 9.51 0.00 -1.26 -3.78 121.76 123.46 2dmm s ALA 54 Ca 0.35 -0.43 0.27 0.00 0.00 0.00 0.00 51.96 52.15 2dmm s ALA 54 Cb 0.02 -0.42 1.12 0.00 0.00 0.00 0.00 23.12 23.85 2dmm s ALA 54 CO 0.19 0.17 1.80 -1.00 0.00 0.00 0.00 175.76 176.92 2dmm h PRO 55 N 6.49 0.00 -0.27 0.00 0.13 -2.01 -2.71 132.00 133.63 2dmm h PRO 55 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2dmm h PRO 55 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2dmm h PRO 55 CO 0.48 0.00 -0.07 -2.67 -0.23 0.00 0.00 178.00 175.51 2dmm n TRP 56 N -2.51 0.88 -5.04 1.56 4.27 -1.26 -4.98 117.44 110.36 2dmm n TRP 56 Ca 0.02 -1.33 -0.29 0.00 -3.89 0.00 0.00 57.50 52.00 2dmm n TRP 56 Cb 0.25 -0.39 -0.16 0.00 -1.36 0.00 0.00 31.31 29.64 2dmm n TRP 56 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dmm h GLY 58 N 6.28 -1.13 -1.31 0.00 0.00 -1.94 -2.95 103.07 102.03 2dmm h GLY 58 Ca -0.30 0.42 0.45 0.00 0.00 0.00 0.00 47.33 47.89 2dmm h GLY 58 CO 0.47 -0.41 0.85 1.42 0.00 0.00 0.00 176.54 178.87 2dmm n HIS 59 N -5.50 0.61 0.13 5.60 8.25 -1.26 0.97 115.22 124.02 2dmm n HIS 59 Ca -0.14 0.61 -0.14 0.00 -0.26 0.00 0.00 57.72 57.80 2dmm n HIS 59 Cb 0.43 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.42 2dmm n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dmm h LYS 61 N -0.46 0.76 0.06 0.00 1.79 0.63 1.14 116.57 120.49 2dmm h LYS 61 Ca -0.03 -0.05 -0.25 0.00 -2.18 0.00 0.00 60.65 58.14 2dmm h LYS 61 Cb 0.35 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2dmm h LYS 61 CO 0.05 0.50 -1.08 -0.97 -1.08 0.00 0.00 179.45 176.87 2dmm h ASN 62 N 0.78 0.52 1.84 0.86 -1.24 -1.15 -3.22 115.58 113.97 2dmm h ASN 62 Ca 0.33 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.87 2dmm h ASN 62 Cb 0.30 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2dmm h ASN 62 CO -0.12 1.31 -0.11 0.25 -1.29 0.00 0.00 177.43 177.47 2dmm h LEU 63 N 0.18 0.00 -0.35 0.34 5.85 0.91 -3.33 115.31 118.90 2dmm h LEU 63 Ca -0.11 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2dmm h LEU 63 Cb 1.75 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.70 2dmm h LEU 63 CO 0.19 0.00 -0.49 -0.08 -0.34 0.00 0.00 178.44 177.71 2dmm h GLU 64 N 0.00 -0.39 0.00 1.25 4.81 0.13 0.47 114.58 120.85 2dmm h GLU 64 Ca 0.00 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2dmm h GLU 64 Cb 0.97 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2dmm h GLU 64 CO 0.00 -0.26 -0.39 -1.00 -0.73 0.00 0.00 179.01 176.63 2dmm h PRO 65 N -0.40 0.00 0.00 0.92 0.13 -1.74 0.27 132.00 131.17 2dmm h PRO 65 Ca 0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.13 2dmm h PRO 65 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2dmm h PRO 65 CO -0.55 0.39 -0.47 0.87 -0.23 0.00 0.00 178.00 178.01 2dmm h LYS 66 N 0.00 0.00 0.02 0.86 1.57 -1.26 -3.21 116.57 114.54 2dmm h LYS 66 Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.39 2dmm h LYS 66 Cb 0.79 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 2dmm h LYS 66 CO 0.05 0.47 -2.17 0.98 -0.57 0.00 0.00 179.45 178.21 2dmm n TYR 67 N -3.60 0.41 -0.33 -1.35 9.36 0.15 -4.01 117.16 117.79 2dmm n TYR 67 Ca -0.00 0.14 -0.11 0.00 3.32 0.00 0.00 57.90 61.24 2dmm n TYR 67 Cb 0.56 -1.05 -0.09 0.00 -0.63 0.00 0.00 39.34 38.13 2dmm n TYR 67 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 2dmm h LYS 68 N -0.60 -0.12 -0.64 2.98 3.64 -0.58 -1.54 116.57 119.72 2dmm h LYS 68 Ca -0.56 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.89 2dmm h LYS 68 Cb 1.68 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.45 2dmm h LYS 68 CO -0.22 -0.08 -0.38 0.39 -2.27 0.00 0.00 179.45 176.90 2dmm n GLU 69 N -5.30 -0.28 -0.45 1.90 1.02 -1.21 0.11 120.64 116.43 2dmm n GLU 69 Ca 0.01 1.30 0.37 0.00 -0.02 0.00 0.00 57.16 58.82 2dmm n GLU 69 Cb 0.29 -1.92 0.62 0.00 -0.02 0.00 0.00 31.44 30.41 2dmm n GLU 69 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dmm n LEU 70 N -4.44 0.15 0.05 -4.62 7.94 -0.59 0.92 117.00 116.41 2dmm n LEU 70 Ca 0.01 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 55.92 2dmm n LEU 70 Cb 0.17 -0.56 -0.09 0.00 0.53 0.00 0.00 43.42 43.47 2dmm n LEU 70 CO -0.10 -1.22 0.66 1.23 -1.11 0.00 0.00 177.39 176.85 2dmm h GLY 71 N 0.00 -0.14 2.00 -3.96 0.00 0.91 -0.89 103.07 101.00 2dmm h GLY 71 Ca 0.78 0.05 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2dmm h GLY 71 CO -0.33 -0.05 0.00 1.05 0.00 0.00 0.00 176.54 177.21 2dmm h GLU 72 N -0.45 0.00 0.06 4.80 4.11 0.69 -2.60 114.58 121.19 2dmm h GLU 72 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2dmm h GLU 72 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2dmm h GLU 72 CO 0.02 0.00 -0.03 0.87 0.07 0.00 0.00 179.01 179.94 2dmm h LYS 73 N 0.00 -0.08 0.00 1.06 1.57 0.04 -3.26 116.57 115.90 2dmm h LYS 73 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dmm h LYS 73 Cb 0.80 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2dmm h LYS 73 CO 0.00 0.48 0.00 1.28 -0.57 0.00 0.00 179.45 180.64 2dmm n LEU 74 N -4.77 0.00 0.06 2.94 4.77 -0.35 -4.01 117.00 115.64 2dmm n LEU 74 Ca -0.07 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.08 2dmm n LEU 74 Cb 0.29 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.75 2dmm n LEU 74 CO 0.24 0.00 1.15 -1.28 -1.33 0.00 0.00 177.39 176.17 2dmm h SER 75 N 0.00 0.00 -0.36 -1.43 0.87 -1.51 1.95 113.55 113.07 2dmm h SER 75 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2dmm h SER 75 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2dmm h SER 75 CO 0.00 0.00 0.12 0.29 -0.53 0.00 0.00 176.83 176.71 2dmm n LYS 76 N -3.02 2.45 -3.36 2.24 5.02 -1.26 -4.77 118.16 115.47 2dmm n LYS 76 Ca 0.11 -1.54 -0.45 0.00 -2.02 0.00 0.00 58.31 54.41 2dmm n LYS 76 Cb 1.12 -1.77 -0.05 0.00 -0.02 0.00 0.00 35.03 34.31 2dmm n LYS 76 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2dmm s ASP 77 N -0.29 6.19 0.00 4.39 -4.77 0.66 -4.90 116.67 117.94 2dmm s ASP 77 Ca 0.28 -1.99 0.14 0.00 -3.30 0.00 0.00 52.55 47.67 2dmm s ASP 77 Cb 0.22 -2.17 0.84 0.00 -1.09 0.00 0.00 42.92 40.71 2dmm s ASP 77 CO 0.07 -0.77 1.26 -0.81 0.70 0.00 0.00 175.17 175.61 2dmm n PRO 78 N 4.93 0.49 0.00 2.11 -0.04 -1.26 -3.27 135.00 137.96 2dmm n PRO 78 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2dmm n PRO 78 Cb 0.41 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2dmm n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmm n ASN 79 N -0.95 2.22 -4.82 3.54 3.02 -1.26 -5.02 115.26 112.00 2dmm n ASN 79 Ca 0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 2dmm n ASN 79 Cb 0.05 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 2dmm n ASN 79 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dmm s ILE 80 N -1.89 4.66 -0.32 2.41 1.01 -1.20 -1.05 121.20 124.82 2dmm s ILE 80 Ca 0.00 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.78 2dmm s ILE 80 Cb 0.00 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.76 2dmm s ILE 80 CO 0.00 0.23 0.13 -0.69 0.00 0.00 0.00 174.94 174.62 2dmm s VAL 81 N -1.49 0.57 -0.06 2.92 1.01 -0.46 -4.62 120.40 118.28 2dmm s VAL 81 Ca 0.41 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2dmm s VAL 81 Cb -0.16 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2dmm s VAL 81 CO 0.20 -0.75 1.45 -0.63 0.00 0.00 0.00 175.10 175.37 2dmm s ILE 82 N 1.56 3.80 0.24 2.22 -1.09 -1.26 -2.79 121.20 123.88 2dmm s ILE 82 Ca 0.11 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.61 2dmm s ILE 82 Cb -0.18 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2dmm s ILE 82 CO -0.23 -0.06 0.14 0.00 -1.23 0.00 0.00 174.94 173.56 2dmm s ALA 83 N 3.21 1.46 0.05 9.38 0.00 -0.85 -2.29 121.76 132.73 2dmm s ALA 83 Ca 0.65 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 2dmm s ALA 83 Cb -0.30 1.28 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 2dmm s ALA 83 CO 0.25 -0.55 -0.00 -1.59 0.00 0.00 0.00 175.76 173.86 2dmm s LYS 84 N -4.03 0.61 -0.15 0.00 -2.85 0.42 -2.91 119.74 110.82 2dmm s LYS 84 Ca 0.38 -1.13 -0.11 0.00 -1.00 0.00 0.00 55.97 54.11 2dmm s LYS 84 Cb 0.07 0.22 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 2dmm s LYS 84 CO 0.14 -0.12 0.39 1.41 0.10 0.00 0.00 175.35 177.27 2dmm s MET 85 N -3.67 0.41 -1.19 1.78 1.75 -0.87 -0.23 119.30 117.28 2dmm s MET 85 Ca 0.05 0.63 -0.14 0.00 -1.25 0.00 0.00 55.69 54.98 2dmm s MET 85 Cb 0.06 0.10 0.17 0.00 2.84 0.00 0.00 34.83 38.00 2dmm s MET 85 CO -0.09 -0.10 1.42 0.34 -0.65 0.00 0.00 175.02 175.93 2dmm s ASP 86 N 0.74 7.04 0.09 1.11 -1.08 -1.26 -2.93 116.67 120.38 2dmm s ASP 86 Ca -0.04 -2.92 -0.17 0.00 -0.52 0.00 0.00 52.55 48.89 2dmm s ASP 86 Cb -0.05 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2dmm s ASP 86 CO -0.05 -0.78 1.10 0.00 0.52 0.00 0.00 175.17 175.96 2dmm n ALA 87 N 5.75 -0.36 -0.30 3.66 0.00 -1.25 0.14 120.51 128.15 2dmm n ALA 87 Ca 0.36 0.48 0.30 0.00 0.00 0.00 0.00 53.44 54.57 2dmm n ALA 87 Cb 0.43 0.04 0.54 0.00 0.00 0.00 0.00 19.45 20.46 2dmm n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dmm n THR 88 N -4.35 -0.36 0.01 0.00 -2.24 -1.26 0.22 114.28 106.31 2dmm n THR 88 Ca 0.01 1.79 -0.06 0.00 -2.27 0.00 0.00 64.05 63.52 2dmm n THR 88 Cb 0.15 -2.91 -0.12 0.00 -2.10 0.00 0.00 70.33 65.35 2dmm n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmm h ALA 89 N 1.74 0.69 -3.67 6.98 0.00 0.88 -3.44 119.26 122.44 2dmm h ALA 89 Ca 0.76 -1.21 -0.62 0.00 0.00 0.00 0.00 54.91 53.84 2dmm h ALA 89 Cb 2.08 0.34 -0.38 0.00 0.00 0.00 0.00 17.79 19.83 2dmm h ALA 89 CO -0.65 1.35 -0.79 -0.80 0.00 0.00 0.00 179.25 178.36 2dmm s ASN 90 N -6.11 3.94 0.10 0.00 0.01 0.61 -4.06 114.94 109.42 2dmm s ASN 90 Ca -0.03 -1.20 -0.36 0.00 -0.71 0.00 0.00 52.86 50.56 2dmm s ASN 90 Cb 0.08 -1.26 -0.16 0.00 0.41 0.00 0.00 41.25 40.32 2dmm s ASN 90 CO 0.82 -0.22 1.36 -0.67 -1.51 0.00 0.00 177.10 176.88 2dmm n ASP 91 N 4.62 1.81 -4.65 -1.22 2.03 -1.20 -4.02 116.55 113.92 2dmm n ASP 91 Ca -0.13 1.12 -0.43 0.00 0.52 0.00 0.00 54.79 55.87 2dmm n ASP 91 Cb 0.44 -1.22 -0.02 0.00 -0.72 0.00 0.00 41.12 39.59 2dmm n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dmm s VAL 92 N 0.50 4.38 0.00 5.18 1.01 -1.26 -4.82 120.40 125.39 2dmm s VAL 92 Ca 0.83 1.64 0.00 0.00 0.00 0.00 0.00 61.98 64.45 2dmm s VAL 92 Cb -0.91 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.32 2dmm s VAL 92 CO 0.46 -0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.51 2dmm n PRO 93 N 6.69 0.08 -4.47 2.72 -0.04 -1.26 -4.89 135.00 133.82 2dmm n PRO 93 Ca 0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 2dmm n PRO 93 Cb 0.46 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmm s SER 94 N -1.51 3.45 0.16 3.54 0.01 -1.26 -3.24 113.70 114.86 2dmm s SER 94 Ca 0.00 -1.07 0.20 0.00 1.31 0.00 0.00 55.95 56.39 2dmm s SER 94 Cb 0.00 -0.28 0.84 0.00 0.21 0.00 0.00 66.02 66.79 2dmm s SER 94 CO 0.00 -0.05 1.61 -0.81 0.41 0.00 0.00 173.24 174.41 2dmm n PRO 95 N -0.62 0.12 -1.00 12.44 -0.04 -1.26 -4.74 135.00 139.90 2dmm n PRO 95 Ca -0.05 0.36 -0.36 0.00 -0.04 0.00 0.00 63.50 63.41 2dmm n PRO 95 Cb 0.61 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2dmm n PRO 95 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmm n TYR 96 N -1.96 -0.05 -3.66 0.54 4.01 -1.20 -4.95 117.16 109.88 2dmm n TYR 96 Ca 0.03 0.70 -0.19 0.00 -0.16 0.00 0.00 57.90 58.27 2dmm n TYR 96 Cb 0.20 -1.39 -0.17 0.00 -0.31 0.00 0.00 39.34 37.67 2dmm n TYR 96 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dmm s GLU 97 N -0.44 -0.03 -0.65 -0.72 2.12 -1.26 -4.57 118.70 113.15 2dmm s GLU 97 Ca 0.51 0.41 0.05 0.00 0.36 0.00 0.00 54.97 56.30 2dmm s GLU 97 Cb -0.73 -0.52 0.17 0.00 0.26 0.00 0.00 34.13 33.31 2dmm s GLU 97 CO 0.39 -0.35 0.46 0.08 -0.54 0.00 0.00 175.26 175.30 2dmm s VAL 98 N 2.21 2.50 0.09 3.70 1.01 -1.26 -4.93 120.40 123.73 2dmm s VAL 98 Ca 0.04 -3.99 -0.18 0.00 0.00 0.00 0.00 61.98 57.86 2dmm s VAL 98 Cb -0.12 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 2dmm s VAL 98 CO -0.04 -1.03 1.53 -0.09 0.00 0.00 0.00 175.10 175.47 2dmm h ARG 99 N 5.50 0.50 0.00 2.72 9.65 -1.99 -3.47 114.38 127.29 2dmm h ARG 99 Ca 0.15 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 2dmm h ARG 99 Cb 0.78 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 2dmm h ARG 99 CO 0.66 0.65 -0.09 0.41 2.80 0.00 0.00 179.97 184.41 2dmm n GLY 100 N -0.34 4.01 3.22 2.80 0.00 -1.26 -5.18 105.19 108.44 2dmm n GLY 100 Ca -0.03 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 2dmm n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmm s PHE 101 N -1.59 0.05 0.94 1.61 0.40 -1.26 -4.38 117.98 113.76 2dmm s PHE 101 Ca 0.02 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 2dmm s PHE 101 Cb 0.00 0.00 0.16 0.00 0.51 0.00 0.00 43.02 43.69 2dmm s PHE 101 CO 0.01 -0.52 1.09 -1.25 0.70 0.00 0.00 175.22 175.26 2dmm s PRO 102 N -3.31 0.89 -0.10 0.24 0.04 -1.26 -5.05 135.00 126.46 2dmm s PRO 102 Ca 0.01 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.68 2dmm s PRO 102 Cb 0.02 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.83 2dmm s PRO 102 CO -0.08 -2.46 0.23 0.99 0.04 0.00 0.00 177.00 175.72 2dmm s THR 103 N -2.95 -0.04 -0.08 1.26 2.01 -0.84 -5.05 115.64 109.96 2dmm s THR 103 Ca 0.64 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2dmm s THR 103 Cb -0.18 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 71.98 2dmm s THR 103 CO 0.57 0.05 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.76 2dmm s ILE 104 N 1.12 1.54 0.21 1.82 1.01 -1.26 0.15 121.20 125.79 2dmm s ILE 104 Ca -0.08 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2dmm s ILE 104 Cb -0.09 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2dmm s ILE 104 CO -0.07 0.44 -0.16 -0.31 0.00 0.00 0.00 174.94 174.85 2dmm s TYR 105 N 0.58 1.80 0.15 3.97 1.51 0.17 -0.65 117.35 124.88 2dmm s TYR 105 Ca -0.15 -0.53 0.11 0.00 -1.01 0.00 0.00 57.07 55.49 2dmm s TYR 105 Cb -0.17 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2dmm s TYR 105 CO 0.05 0.40 -0.26 0.12 -1.11 0.00 0.00 175.55 174.76 2dmm s PHE 106 N -2.78 2.31 -0.55 2.71 5.36 0.19 -0.11 117.98 125.12 2dmm s PHE 106 Ca 0.23 -0.37 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 2dmm s PHE 106 Cb -0.02 -1.22 0.14 0.00 -0.34 0.00 0.00 43.02 41.58 2dmm s PHE 106 CO 0.08 0.39 0.31 -1.12 -1.46 0.00 0.00 175.22 173.42 2dmm s SER 107 N -2.23 4.29 0.97 6.13 0.01 0.34 -3.75 113.70 119.44 2dmm s SER 107 Ca 0.16 -3.16 -0.12 0.00 1.31 0.00 0.00 55.95 54.14 2dmm s SER 107 Cb -0.09 -1.54 0.17 0.00 0.21 0.00 0.00 66.02 64.77 2dmm s SER 107 CO 0.07 -0.20 1.09 -2.16 0.41 0.00 0.00 173.24 172.45 2dmm s PRO 108 N -0.47 0.65 0.13 12.44 0.04 -1.26 -2.02 135.00 144.50 2dmm s PRO 108 Ca 0.19 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 2dmm s PRO 108 Cb -0.20 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2dmm s PRO 108 CO -0.04 -2.60 0.74 0.00 0.04 0.00 0.00 177.00 175.13 2dmm s ALA 109 N -2.96 3.46 -0.99 8.56 0.00 -1.26 -3.77 121.76 124.80 2dmm s ALA 109 Ca 0.65 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2dmm s ALA 109 Cb -0.18 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2dmm s ALA 109 CO 0.57 0.27 0.00 0.27 0.00 0.00 0.00 175.76 176.88 2dmm n ASN 110 N 1.83 -3.08 -0.20 0.00 6.94 -1.26 -4.73 115.26 114.76 2dmm n ASN 110 Ca -0.06 0.25 0.05 0.00 -0.02 0.00 0.00 54.58 54.80 2dmm n ASN 110 Cb 0.49 -2.80 0.07 0.00 -2.36 0.00 0.00 39.78 35.18 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2dmm n LYS 111 N -2.22 0.95 -0.38 -3.83 5.02 -1.25 -4.81 118.16 111.65 2dmm n LYS 111 Ca -0.11 -1.80 0.32 0.00 -2.02 0.00 0.00 58.31 54.70 2dmm n LYS 111 Cb 0.47 -1.05 0.63 0.00 -0.02 0.00 0.00 35.03 35.06 2dmm n LYS 111 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2dmm h LYS 112 N 0.00 0.17 0.00 1.97 6.56 -1.85 1.25 116.57 124.68 2dmm h LYS 112 Ca 0.00 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 2dmm h LYS 112 Cb 1.08 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 2dmm h LYS 112 CO 0.00 0.12 -0.72 -0.07 -2.06 0.00 0.00 179.45 176.71 2dmm h LEU 113 N 0.18 0.00 -5.59 2.94 3.38 -1.96 -3.37 115.31 110.90 2dmm h LEU 113 Ca 0.66 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 58.04 2dmm h LEU 113 Cb 2.13 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 42.47 2dmm h LEU 113 CO -0.23 0.49 -0.58 0.59 0.09 0.00 0.00 178.44 178.80 2dmm n ASN 114 N -3.12 4.36 -3.04 -0.43 4.13 0.42 -5.04 115.26 112.55 2dmm n ASN 114 Ca -0.01 -3.62 0.00 0.00 1.68 0.00 0.00 54.58 52.64 2dmm n ASN 114 Cb 0.75 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 2dmm n ASN 114 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2dmm n PRO 115 N 0.09 0.04 -3.47 3.52 -0.04 -0.80 -4.85 135.00 129.49 2dmm n PRO 115 Ca 0.31 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 2dmm n PRO 115 Cb 0.39 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.82 2dmm n PRO 115 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2dmm s LYS 116 N -1.42 1.14 -0.14 0.54 -2.85 -1.25 -5.04 119.74 110.74 2dmm s LYS 116 Ca 0.00 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 2dmm s LYS 116 Cb 0.00 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2dmm s LYS 116 CO 0.00 -0.44 -0.18 0.21 0.10 0.00 0.00 175.35 175.03 2dmm s LYS 117 N -2.58 3.15 -0.56 1.78 2.20 -1.26 -0.63 119.74 121.84 2dmm s LYS 117 Ca -0.04 -0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 54.50 2dmm s LYS 117 Cb -0.01 -2.51 -0.10 0.00 -1.51 0.00 0.00 37.83 33.70 2dmm s LYS 117 CO -0.03 0.06 2.44 0.98 -0.36 0.00 0.00 175.35 178.45 2dmm n TYR 118 N 3.89 1.31 -3.82 4.03 9.36 0.18 -4.89 117.16 127.22 2dmm n TYR 118 Ca -0.19 0.17 -0.34 0.00 3.32 0.00 0.00 57.90 60.85 2dmm n TYR 118 Cb 0.52 -2.58 -0.12 0.00 -0.63 0.00 0.00 39.34 36.53 2dmm n TYR 118 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2dmm s GLU 119 N 8.09 2.13 0.00 2.98 0.41 -1.26 -4.68 118.70 126.37 2dmm s GLU 119 Ca 1.07 -2.24 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 2dmm s GLU 119 Cb -0.48 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 2dmm s GLU 119 CO 0.34 -1.10 0.00 0.41 -0.49 0.00 0.00 175.26 174.42 2dmm n GLY 120 N 3.86 0.94 3.76 -1.39 0.00 -1.26 -5.14 105.19 105.95 2dmm n GLY 120 Ca 0.04 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2dmm n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmm s GLY 121 N 0.00 2.66 -0.18 -0.02 0.00 -1.26 -4.96 107.32 103.55 2dmm s GLY 121 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.76 2dmm s GLY 121 CO 0.00 0.84 3.25 0.54 0.00 0.00 0.00 173.10 177.73 2dmm n ARG 122 N 2.76 2.14 -4.50 2.90 1.74 -1.26 -4.51 116.66 115.93 2dmm n ARG 122 Ca -0.06 -1.53 -0.34 0.00 -0.77 0.00 0.00 57.85 55.16 2dmm n ARG 122 Cb 0.51 -2.04 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 2dmm n ARG 122 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2dmm s GLU 123 N -0.13 3.32 0.19 5.56 2.12 -1.26 -4.95 118.70 123.55 2dmm s GLU 123 Ca 0.62 -0.53 -0.14 0.00 0.36 0.00 0.00 54.97 55.29 2dmm s GLU 123 Cb 0.34 -2.78 0.21 0.00 0.26 0.00 0.00 34.13 32.15 2dmm s GLU 123 CO -0.09 0.41 1.26 -0.11 -0.54 0.00 0.00 175.26 176.19 2dmm n LEU 124 N 3.01 -0.51 -0.17 2.70 -0.00 -1.26 0.12 117.00 120.89 2dmm n LEU 124 Ca -0.18 1.42 -0.09 0.00 -0.00 0.00 0.00 56.01 57.16 2dmm n LEU 124 Cb 0.53 -0.33 0.01 0.00 -0.00 0.00 0.00 43.42 43.62 2dmm n LEU 124 CO 0.31 -1.28 0.86 0.77 -0.00 0.00 0.00 177.39 178.04 2dmm h SER 125 N 0.00 0.79 -0.47 1.96 4.64 -1.95 -2.43 113.55 116.09 2dmm h SER 125 Ca 0.29 -0.26 0.14 0.00 -0.47 0.00 0.00 61.79 61.49 2dmm h SER 125 Cb 0.49 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2dmm h SER 125 CO -0.81 0.85 0.40 0.44 -0.87 0.00 0.00 176.83 176.84 2dmm h ASP 126 N 0.70 0.00 0.05 4.97 5.19 0.64 -1.29 116.42 126.67 2dmm h ASP 126 Ca 0.15 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 2dmm h ASP 126 Cb 0.39 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.91 2dmm h ASP 126 CO 0.01 0.00 -0.36 -0.26 -3.12 0.00 0.00 179.24 175.50 2dmm h PHE 127 N 0.00 0.27 -0.29 4.55 0.04 -0.57 -2.88 116.94 118.05 2dmm h PHE 127 Ca 0.22 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.87 2dmm h PHE 127 Cb 1.02 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.09 2dmm h PHE 127 CO 0.00 1.10 -0.12 0.82 -0.60 0.00 0.00 178.31 179.51 2dmm h ILE 128 N -0.63 0.61 0.52 -0.55 2.04 -0.99 -1.64 117.51 116.88 2dmm h ILE 128 Ca -0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2dmm h ILE 128 Cb 1.23 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2dmm h ILE 128 CO 0.07 0.00 -0.25 0.77 0.00 0.00 0.00 178.15 178.74 2dmm h SER 129 N -0.07 -0.60 -0.89 1.72 4.64 -1.52 0.36 113.55 117.20 2dmm h SER 129 Ca 0.15 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.71 2dmm h SER 129 Cb 0.29 0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 62.39 2dmm h SER 129 CO -0.34 -0.40 0.18 0.22 -0.87 0.00 0.00 176.83 175.62 2dmm h TYR 130 N -0.74 0.25 0.03 4.77 5.03 -1.26 0.27 116.97 125.31 2dmm h TYR 130 Ca -0.07 0.05 -0.25 0.00 2.58 0.00 0.00 58.73 61.04 2dmm h TYR 130 Cb 0.56 0.03 0.01 0.00 1.55 0.00 0.00 36.73 38.88 2dmm h TYR 130 CO -0.03 -0.27 -1.04 -0.07 -1.32 0.00 0.00 178.16 175.43 2dmm h LEU 131 N 0.15 0.69 -0.76 2.82 3.38 -1.07 -1.32 115.31 119.19 2dmm h LEU 131 Ca 0.56 -0.58 0.17 0.00 0.09 0.00 0.00 57.88 58.12 2dmm h LEU 131 Cb 1.13 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 2dmm h LEU 131 CO -0.71 1.39 0.16 1.56 0.09 0.00 0.00 178.44 180.92 2dmm h GLN 132 N 0.27 0.22 0.18 1.13 1.08 0.33 1.57 115.11 119.89 2dmm h GLN 132 Ca -0.12 -0.01 -0.36 0.00 -1.45 0.00 0.00 58.65 56.72 2dmm h GLN 132 Cb 1.70 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 2dmm h GLN 132 CO 0.19 0.15 -1.81 0.07 -0.95 0.00 0.00 178.83 176.48 2dmm h ARG 133 N 0.23 0.37 0.28 1.46 0.11 -1.42 -3.40 114.38 112.00 2dmm h ARG 133 Ca 0.44 -0.63 -0.01 0.00 0.10 0.00 0.00 59.98 59.87 2dmm h ARG 133 Cb 0.77 0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2dmm h ARG 133 CO -0.56 1.30 -0.14 0.93 0.10 0.00 0.00 179.97 181.61 2dmm h GLU 134 N 0.10 -0.36 -4.25 0.08 4.39 -0.58 -3.45 114.58 110.50 2dmm h GLU 134 Ca -0.36 0.02 -0.55 0.00 0.34 0.00 0.00 59.36 58.81 2dmm h GLU 134 Cb 2.09 0.08 0.04 0.00 -0.10 0.00 0.00 28.75 30.86 2dmm h GLU 134 CO 0.16 -0.24 -0.00 0.00 -1.16 0.00 0.00 179.01 177.76 2dmm n ALA 135 N -2.36 -2.70 0.15 3.43 0.00 0.53 -4.86 120.51 114.70 2dmm n ALA 135 Ca -0.05 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.74 2dmm n ALA 135 Cb 0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2dmm n ALA 135 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dmm h THR 136 N 1.97 0.00 -0.38 0.00 1.35 -1.87 -3.25 112.91 110.73 2dmm h THR 136 Ca -0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.46 2dmm h THR 136 Cb 1.01 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 2dmm h THR 136 CO 0.45 0.00 0.00 -1.28 -0.25 0.00 0.00 175.52 174.45 2dmm h SER 137 N -0.41 0.65 -4.04 5.36 0.87 -1.96 -3.50 113.55 110.52 2dmm h SER 137 Ca -0.04 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2dmm h SER 137 Cb 0.33 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2dmm h SER 137 CO 0.04 0.80 -0.25 0.61 -0.53 0.00 0.00 176.83 177.51 2dmm n GLY 138 N -0.36 -3.58 3.56 5.77 0.00 -1.23 -4.73 105.19 104.62 2dmm n GLY 138 Ca -0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 2dmm n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmm s PRO 139 N -4.56 2.56 -0.28 1.61 0.04 -1.26 -4.86 135.00 128.25 2dmm s PRO 139 Ca 0.00 -0.40 -0.08 0.00 0.04 0.00 0.00 61.00 60.56 2dmm s PRO 139 Cb 0.00 -5.09 0.13 0.00 0.04 0.00 0.00 34.50 29.58 2dmm s PRO 139 CO 0.00 -3.44 0.59 -1.12 0.04 0.00 0.00 177.00 173.07 2dmm s SER 140 N 7.83 -0.96 0.18 6.66 0.01 -1.26 -5.07 113.70 121.10 2dmm s SER 140 Ca 0.70 1.33 -0.08 0.00 1.31 0.00 0.00 55.95 59.22 2dmm s SER 140 Cb -0.06 2.07 -0.02 0.00 0.21 0.00 0.00 66.02 68.22 2dmm s SER 140 CO 0.01 -0.23 0.28 -0.44 0.41 0.00 0.00 173.24 173.26 2dmm s SER 141 N 2.83 0.06 0.00 2.44 0.01 -1.26 -5.17 113.70 112.60 2dmm s SER 141 Ca -0.01 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2dmm s SER 141 Cb -0.12 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2dmm s SER 141 CO -0.18 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.16