#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm n SER 2 N 0.00 -5.60 -3.86 1.61 2.88 -1.26 -5.00 113.62 102.39 2dmm n SER 2 Ca 0.00 -0.54 -0.10 0.00 -1.33 0.00 0.00 58.87 56.89 2dmm n SER 2 Cb 0.00 -4.97 -0.09 0.00 -0.75 0.00 0.00 64.21 58.40 2dmm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmm s SER 3 N -3.49 0.05 0.45 -3.46 0.15 -1.26 -5.06 113.70 101.08 2dmm s SER 3 Ca 0.48 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2dmm s SER 3 Cb -0.21 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2dmm s SER 3 CO 0.72 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2dmm n GLY 4 N 0.85 1.22 4.03 9.45 0.00 -1.26 -4.77 105.19 114.71 2dmm n GLY 4 Ca -0.20 0.65 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 2dmm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmm n SER 5 N 5.50 -3.28 -4.28 1.61 7.64 -1.26 -4.94 113.62 114.61 2dmm n SER 5 Ca 0.00 -0.91 -0.35 0.00 1.01 0.00 0.00 58.87 58.62 2dmm n SER 5 Cb 0.00 -3.31 -0.14 0.00 -1.01 0.00 0.00 64.21 59.75 2dmm n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmm s SER 6 N -3.53 4.23 -0.30 6.43 0.15 -1.26 -5.07 113.70 114.34 2dmm s SER 6 Ca 0.55 -0.49 -0.10 0.00 0.70 0.00 0.00 55.95 56.62 2dmm s SER 6 Cb -0.29 -1.71 0.15 0.00 -1.71 0.00 0.00 66.02 62.46 2dmm s SER 6 CO 0.88 -0.04 0.74 -0.83 1.20 0.00 0.00 173.24 175.19 2dmm s GLY 7 N 1.45 -0.63 -0.16 9.45 0.00 -1.26 -5.14 107.32 111.03 2dmm s GLY 7 Ca 0.05 2.45 -0.05 0.00 0.00 0.00 0.00 44.72 47.17 2dmm s GLY 7 CO -0.04 3.20 0.09 -0.12 0.00 0.00 0.00 173.10 176.22 2dmm s PHE 8 N 2.79 0.22 -0.83 1.90 2.19 -1.26 -5.08 117.98 117.92 2dmm s PHE 8 Ca -0.00 -0.30 -0.25 0.00 0.33 0.00 0.00 56.93 56.70 2dmm s PHE 8 Cb -0.11 -0.69 -0.09 0.00 -1.31 0.00 0.00 43.02 40.81 2dmm s PHE 8 CO -0.19 -0.50 2.19 -0.51 1.83 0.00 0.00 175.22 178.04 2dmm s ASP 9 N 2.13 4.50 0.00 6.13 1.11 -1.26 -4.83 116.67 124.45 2dmm s ASP 9 Ca 0.02 -0.24 0.00 0.00 0.18 0.00 0.00 52.55 52.51 2dmm s ASP 9 Cb -0.16 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.28 2dmm s ASP 9 CO -0.09 -3.30 0.00 0.61 1.18 0.00 0.00 175.17 173.57 2dmm n GLY 10 N 6.78 1.11 3.25 0.21 0.00 -1.26 -4.88 105.19 110.39 2dmm n GLY 10 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 2dmm n GLY 10 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dmm n ASN 11 N 0.00 5.48 -2.04 1.61 0.23 -1.26 -4.82 115.26 114.46 2dmm n ASN 11 Ca 0.00 -3.12 -0.26 0.00 -0.53 0.00 0.00 54.58 50.68 2dmm n ASN 11 Cb 0.00 -1.31 0.10 0.00 -2.08 0.00 0.00 39.78 36.49 2dmm n ASN 11 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2dmm n LEU 12 N 2.39 6.26 -3.61 -4.53 7.99 -1.26 -4.95 117.00 119.28 2dmm n LEU 12 Ca 0.24 -4.25 -0.10 0.00 -0.01 0.00 0.00 56.01 51.90 2dmm n LEU 12 Cb 0.38 -0.74 -0.06 0.00 -0.11 0.00 0.00 43.42 42.89 2dmm n LEU 12 CO 0.50 1.56 0.78 -1.59 -1.51 0.00 0.00 177.39 177.12 2dmm s LYS 13 N -3.61 0.53 -0.29 3.23 0.00 -1.26 -4.73 119.74 113.60 2dmm s LYS 13 Ca 0.57 0.35 -0.16 0.00 0.00 0.00 0.00 55.97 56.73 2dmm s LYS 13 Cb 0.46 0.25 0.17 0.00 0.00 0.00 0.00 37.83 38.72 2dmm s LYS 13 CO 0.02 -0.12 1.10 0.50 0.00 0.00 0.00 175.35 176.85 2dmm s ARG 14 N -0.44 0.23 0.26 1.78 3.00 -1.26 -4.95 118.95 117.57 2dmm s ARG 14 Ca 0.01 0.41 -0.07 0.00 -1.00 0.00 0.00 55.73 55.08 2dmm s ARG 14 Cb -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 34.95 34.99 2dmm s ARG 14 CO -0.03 -0.05 0.39 1.52 0.00 0.00 0.00 175.30 177.13 2dmm s TYR 15 N 1.34 0.76 -0.07 5.12 1.13 -1.26 -4.02 117.35 120.35 2dmm s TYR 15 Ca -0.08 -1.05 0.02 0.00 -1.41 0.00 0.00 57.07 54.56 2dmm s TYR 15 Cb -0.03 -0.08 -0.06 0.00 -1.10 0.00 0.00 41.96 40.69 2dmm s TYR 15 CO -0.13 -0.94 -0.03 1.47 -2.51 0.00 0.00 175.55 173.41 2dmm n LEU 16 N -0.40 1.84 -4.56 -3.49 -0.00 -1.26 -5.06 117.00 104.07 2dmm n LEU 16 Ca 0.00 -0.02 -0.26 0.00 -0.00 0.00 0.00 56.01 55.72 2dmm n LEU 16 Cb 0.63 -0.11 -0.11 0.00 -0.00 0.00 0.00 43.42 43.84 2dmm n LEU 16 CO 0.27 0.44 -0.37 -1.59 -0.00 0.00 0.00 177.39 176.14 2dmm s LYS 17 N -2.15 1.84 0.16 1.47 -2.85 -1.26 -5.04 119.74 111.92 2dmm s LYS 17 Ca -0.07 -1.96 -0.21 0.00 -1.00 0.00 0.00 55.97 52.73 2dmm s LYS 17 Cb 0.02 -1.70 0.06 0.00 -2.06 0.00 0.00 37.83 34.15 2dmm s LYS 17 CO 0.20 0.12 0.56 -1.12 0.10 0.00 0.00 175.35 175.20 2dmm s SER 18 N -3.63 -0.45 0.27 0.03 0.01 -1.26 -3.48 113.70 105.19 2dmm s SER 18 Ca 0.33 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.51 2dmm s SER 18 Cb 0.03 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.81 2dmm s SER 18 CO 0.17 -0.98 0.22 -1.61 0.41 0.00 0.00 173.24 171.45 2dmm s GLU 19 N -3.78 2.89 0.26 12.44 0.41 -1.26 -4.90 118.70 124.75 2dmm s GLU 19 Ca 0.03 -1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 53.19 2dmm s GLU 19 Cb -0.01 -2.55 -0.09 0.00 -1.78 0.00 0.00 34.13 29.70 2dmm s GLU 19 CO -0.11 0.34 1.26 -1.25 -0.49 0.00 0.00 175.26 175.02 2dmm s PRO 20 N -3.87 4.44 0.08 0.39 0.04 -1.26 -4.53 135.00 130.29 2dmm s PRO 20 Ca 0.34 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 2dmm s PRO 20 Cb -0.07 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 2dmm s PRO 20 CO 0.25 -0.12 1.31 0.42 0.04 0.00 0.00 177.00 178.90 2dmm s ILE 21 N -0.62 3.66 0.07 0.56 -1.09 -1.26 -4.98 121.20 117.54 2dmm s ILE 21 Ca 0.51 1.17 -0.31 0.00 -2.23 0.00 0.00 60.65 59.80 2dmm s ILE 21 Cb -0.37 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 2dmm s ILE 21 CO 0.44 0.08 1.39 -2.16 -1.23 0.00 0.00 174.94 173.46 2dmm s PRO 22 N 1.23 4.31 0.36 2.79 0.04 -1.26 -4.89 135.00 137.57 2dmm s PRO 22 Ca 0.62 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.86 2dmm s PRO 22 Cb -0.33 -3.37 1.22 0.00 0.04 0.00 0.00 34.50 32.06 2dmm s PRO 22 CO 0.29 -0.48 1.58 1.05 0.04 0.00 0.00 177.00 179.49 2dmm h GLU 23 N 7.17 0.02 -1.87 4.56 4.11 -2.04 -3.40 114.58 123.14 2dmm h GLU 23 Ca -0.41 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2dmm h GLU 23 Cb 1.20 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 2dmm h GLU 23 CO 0.87 0.01 0.22 -1.12 0.07 0.00 0.00 179.01 179.07 2dmm s SER 24 N -4.64 -0.67 -0.93 3.06 0.01 -1.26 -5.09 113.70 104.18 2dmm s SER 24 Ca -0.10 1.27 -0.02 0.00 1.31 0.00 0.00 55.95 58.41 2dmm s SER 24 Cb 0.33 1.28 0.26 0.00 0.21 0.00 0.00 66.02 68.11 2dmm s SER 24 CO 0.78 -0.22 1.05 0.59 0.41 0.00 0.00 173.24 175.85 2dmm n ASN 25 N 2.76 5.01 -2.58 2.44 3.02 -1.26 -4.90 115.26 119.75 2dmm n ASN 25 Ca -0.14 -3.29 -0.29 0.00 -0.03 0.00 0.00 54.58 50.83 2dmm n ASN 25 Cb 0.56 -1.08 -0.04 0.00 -0.61 0.00 0.00 39.78 38.61 2dmm n ASN 25 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dmm n ASP 26 N 1.68 6.66 -3.83 6.41 2.03 -1.26 -4.92 116.55 123.32 2dmm n ASP 26 Ca 0.25 -3.30 -0.24 0.00 0.52 0.00 0.00 54.79 52.02 2dmm n ASP 26 Cb 0.37 -1.21 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmm n GLY 27 N 0.69 3.49 0.27 0.27 0.00 -1.26 -5.06 105.19 103.58 2dmm n GLY 27 Ca 0.50 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 0.95 -4.97 1.61 0.13 -1.91 -3.42 132.00 124.39 2dmm h PRO 28 Ca -0.31 -0.50 -0.65 0.00 -0.87 0.00 0.00 66.00 63.67 2dmm h PRO 28 Cb 1.06 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 31.95 2dmm h PRO 28 CO 0.50 1.16 -0.67 0.08 -0.23 0.00 0.00 178.00 178.83 2dmm s VAL 29 N -4.41 3.83 0.11 1.56 1.01 -1.26 -3.82 120.40 117.43 2dmm s VAL 29 Ca -0.11 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 2dmm s VAL 29 Cb 0.11 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 2dmm s VAL 29 CO 0.88 0.37 1.50 -0.54 0.00 0.00 0.00 175.10 177.31 2dmm s LYS 30 N 1.54 4.26 -0.29 2.72 -0.14 -0.21 -4.69 119.74 122.94 2dmm s LYS 30 Ca 0.06 2.20 -0.27 0.00 -1.36 0.00 0.00 55.97 56.60 2dmm s LYS 30 Cb -0.15 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.69 2dmm s LYS 30 CO 0.00 -0.56 0.94 0.08 -0.76 0.00 0.00 175.35 175.05 2dmm s VAL 31 N 1.57 4.67 -0.18 3.17 1.01 -1.26 0.28 120.40 129.65 2dmm s VAL 31 Ca 0.68 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 64.20 2dmm s VAL 31 Cb -0.39 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 2dmm s VAL 31 CO 0.30 -0.31 -0.08 -0.69 0.00 0.00 0.00 175.10 174.32 2dmm s VAL 32 N 3.26 3.22 0.08 2.92 1.01 -0.15 -4.92 120.40 125.82 2dmm s VAL 32 Ca 0.39 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.90 2dmm s VAL 32 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2dmm s VAL 32 CO 0.12 0.47 -0.22 0.68 0.00 0.00 0.00 175.10 176.15 2dmm s VAL 33 N 0.98 2.54 0.31 2.92 -7.23 -1.26 -4.13 120.40 114.53 2dmm s VAL 33 Ca -0.01 -1.44 0.17 0.00 -1.81 0.00 0.00 61.98 58.89 2dmm s VAL 33 Cb -0.15 -2.09 0.30 0.00 0.56 0.00 0.00 36.38 35.00 2dmm s VAL 33 CO -0.00 0.23 1.34 0.00 -0.31 0.00 0.00 175.10 176.35 2dmm n ALA 34 N 1.27 0.85 -0.04 1.32 0.00 -1.26 0.18 120.51 122.82 2dmm n ALA 34 Ca -0.17 0.87 -0.09 0.00 0.00 0.00 0.00 53.44 54.05 2dmm n ALA 34 Cb 0.52 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 0.11 -0.37 0.00 5.08 -1.88 -2.82 114.58 114.70 2dmm h GLU 35 Ca 0.71 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.94 2dmm h GLU 35 Cb 1.85 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 31.01 2dmm h GLU 35 CO -0.66 0.08 0.02 0.27 -1.00 0.00 0.00 179.01 177.72 2dmm n ASN 36 N -5.09 3.37 0.25 1.42 6.94 0.38 -4.69 115.26 117.84 2dmm n ASN 36 Ca -0.02 -3.37 -0.15 0.00 -0.02 0.00 0.00 54.58 51.01 2dmm n ASN 36 Cb 0.09 -0.61 -0.08 0.00 -2.36 0.00 0.00 39.78 36.82 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 1.48 -0.58 0.00 -2.53 3.04 0.22 -1.95 116.94 116.62 2dmm h PHE 37 Ca 0.14 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2dmm h PHE 37 Cb 1.67 0.19 0.00 0.00 2.56 0.00 0.00 35.95 40.38 2dmm h PHE 37 CO 0.83 -0.29 0.00 -0.40 -2.02 0.00 0.00 178.31 176.43 2dmm n ASP 38 N -5.30 0.00 -0.04 0.41 5.75 -1.26 -0.49 116.55 115.62 2dmm n ASP 38 Ca -0.11 0.08 -0.21 0.00 -0.01 0.00 0.00 54.79 54.54 2dmm n ASP 38 Cb 0.29 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 40.00 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dmm h GLU 39 N 0.00 0.14 0.00 0.11 4.57 -1.67 -3.36 114.58 114.37 2dmm h GLU 39 Ca 0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2dmm h GLU 39 Cb 0.09 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2dmm h GLU 39 CO 0.00 1.11 -0.91 -0.89 -1.18 0.00 0.00 179.01 177.14 2dmm n ILE 40 N -4.04 1.48 0.01 2.32 5.41 -0.79 -4.65 119.36 119.10 2dmm n ILE 40 Ca -0.30 0.15 -0.15 0.00 1.00 0.00 0.00 62.75 63.45 2dmm n ILE 40 Cb 0.83 -2.35 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 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 -1.00 0.03 -2.72 1.39 2.07 -1.00 -3.39 116.25 111.63 2dmm h VAL 41 Ca -0.01 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.96 2dmm h VAL 41 Cb 0.89 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2dmm h VAL 41 CO -0.01 0.00 0.99 0.20 0.02 0.00 0.00 177.57 178.77 2dmm s ASN 42 N -4.83 6.70 -0.30 0.57 0.01 -1.14 -4.72 114.94 111.22 2dmm s ASN 42 Ca -0.16 2.28 -0.10 0.00 -0.71 0.00 0.00 52.86 54.17 2dmm s ASN 42 Cb 0.08 -2.55 0.17 0.00 0.41 0.00 0.00 41.25 39.36 2dmm s ASN 42 CO 0.62 -0.86 0.87 0.20 -1.51 0.00 0.00 177.10 176.42 2dmm s ASN 43 N 2.64 -0.81 0.00 -1.22 -0.87 -1.26 -4.63 114.94 108.78 2dmm s ASN 43 Ca 0.71 0.75 0.23 0.00 -1.57 0.00 0.00 52.86 52.97 2dmm s ASN 43 Cb -0.35 1.78 0.57 0.00 -0.02 0.00 0.00 41.25 43.23 2dmm s ASN 43 CO 0.29 -0.15 1.47 -0.62 -2.57 0.00 0.00 177.10 175.52 2dmm n GLU 44 N 5.30 2.11 -0.11 -0.60 4.71 -1.26 -4.19 120.64 126.61 2dmm n GLU 44 Ca -0.07 -1.66 -0.16 0.00 -0.01 0.00 0.00 57.16 55.27 2dmm n GLU 44 Cb 0.52 -1.46 -0.10 0.00 -1.01 0.00 0.00 31.44 29.39 2dmm n GLU 44 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2dmm n ASN 45 N 0.91 2.26 -4.05 1.62 0.23 -1.26 -4.26 115.26 110.71 2dmm n ASN 45 Ca 0.17 -0.08 -0.19 0.00 -0.53 0.00 0.00 54.58 53.95 2dmm n ASN 45 Cb 0.48 -0.37 -0.15 0.00 -2.08 0.00 0.00 39.78 37.66 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2dmm s LYS 46 N -2.43 0.81 0.58 -3.83 0.00 -1.26 -5.05 119.74 108.55 2dmm s LYS 46 Ca -0.29 -0.40 -0.19 0.00 0.00 0.00 0.00 55.97 55.08 2dmm s LYS 46 Cb 0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 37.83 37.09 2dmm s LYS 46 CO 0.49 0.21 1.23 -0.51 0.00 0.00 0.00 175.35 176.77 2dmm s ASP 47 N -0.35 5.25 -0.03 0.03 1.11 -0.57 -4.65 116.67 117.46 2dmm s ASP 47 Ca 0.03 2.45 -0.02 0.00 0.18 0.00 0.00 52.55 55.18 2dmm s ASP 47 Cb -0.04 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.35 2dmm s ASP 47 CO -0.00 -1.56 0.08 -0.69 1.18 0.00 0.00 175.17 174.18 2dmm s VAL 48 N -1.53 -0.01 -0.18 -1.27 1.01 -0.42 -2.94 120.40 115.05 2dmm s VAL 48 Ca 0.76 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 2dmm s VAL 48 Cb -0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2dmm s VAL 48 CO 0.35 0.02 -0.04 -0.22 0.00 0.00 0.00 175.10 175.21 2dmm s LEU 49 N 0.30 3.08 -0.12 3.92 2.96 -1.06 0.72 118.68 128.48 2dmm s LEU 49 Ca -0.02 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2dmm s LEU 49 Cb -0.03 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2dmm s LEU 49 CO -0.01 0.09 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.47 2dmm s ILE 50 N 0.86 3.15 -0.24 6.68 1.10 -0.14 -2.25 121.20 130.36 2dmm s ILE 50 Ca -0.01 -0.63 0.01 0.00 -0.51 0.00 0.00 60.65 59.51 2dmm s ILE 50 Cb -0.15 -2.32 0.06 0.00 0.15 0.00 0.00 42.46 40.20 2dmm s ILE 50 CO 0.01 0.53 -0.05 -0.70 -2.11 0.00 0.00 174.94 172.63 2dmm s GLU 51 N 0.22 1.61 -0.07 3.50 -6.30 -1.20 0.07 118.70 116.53 2dmm s GLU 51 Ca -0.08 -1.02 -0.25 0.00 -2.50 0.00 0.00 54.97 51.12 2dmm s GLU 51 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 34.13 31.35 2dmm s GLU 51 CO 0.05 -0.62 0.78 -0.06 0.02 0.00 0.00 175.26 175.43 2dmm s PHE 52 N 1.38 3.57 0.45 5.30 0.08 0.14 -2.56 117.98 126.33 2dmm s PHE 52 Ca -0.05 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.38 2dmm s PHE 52 Cb -0.19 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2dmm s PHE 52 CO -0.07 0.01 0.13 1.52 -0.10 0.00 0.00 175.22 176.72 2dmm s TYR 53 N 1.06 1.77 -0.04 0.36 -0.85 -1.12 -2.04 117.35 116.49 2dmm s TYR 53 Ca 0.41 -1.31 0.00 0.00 -0.52 0.00 0.00 57.07 55.66 2dmm s TYR 53 Cb -0.18 -1.21 0.02 0.00 0.38 0.00 0.00 41.96 40.98 2dmm s TYR 53 CO 0.19 -0.28 -0.02 0.00 -1.52 0.00 0.00 175.55 173.93 2dmm s ALA 54 N -3.12 0.49 -1.32 9.51 0.00 -1.26 -4.00 121.76 122.05 2dmm s ALA 54 Ca 0.18 0.05 0.15 0.00 0.00 0.00 0.00 51.96 52.34 2dmm s ALA 54 Cb 0.01 -0.41 0.71 0.00 0.00 0.00 0.00 23.12 23.43 2dmm s ALA 54 CO 0.13 -0.10 1.42 -0.35 0.00 0.00 0.00 175.76 176.86 2dmm n PRO 55 N 4.22 0.16 -0.10 0.00 -0.04 -1.26 -2.10 135.00 135.88 2dmm n PRO 55 Ca -0.23 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 2dmm n PRO 55 Cb 0.50 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.60 2dmm n PRO 55 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dmm n TRP 56 N -1.34 0.09 -4.59 0.54 4.27 -1.26 -4.99 117.44 110.17 2dmm n TRP 56 Ca 0.06 -0.94 -0.33 0.00 -3.89 0.00 0.00 57.50 52.41 2dmm n TRP 56 Cb 0.13 -0.15 -0.16 0.00 -1.36 0.00 0.00 31.31 29.76 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 7.38 -1.18 -0.80 0.00 0.00 -1.94 -1.66 103.07 104.87 2dmm h GLY 58 Ca -0.34 0.46 0.38 0.00 0.00 0.00 0.00 47.33 47.83 2dmm h GLY 58 CO 0.57 -0.41 0.64 0.45 0.00 0.00 0.00 176.54 177.78 2dmm h HIS 59 N -1.07 0.79 -0.29 5.60 3.86 -1.96 0.71 115.15 122.79 2dmm h HIS 59 Ca -0.10 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 2dmm h HIS 59 Cb 0.84 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 2dmm h HIS 59 CO -0.02 -0.27 -0.11 0.00 0.86 0.00 0.00 177.93 178.39 2dmm h LYS 61 N 0.34 0.32 0.00 0.00 1.63 0.13 -0.88 116.57 118.10 2dmm h LYS 61 Ca 0.07 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2dmm h LYS 61 Cb 0.61 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2dmm h LYS 61 CO 0.04 0.45 -0.14 -0.97 -3.45 0.00 0.00 179.45 175.38 2dmm h ASN 62 N 0.30 0.00 0.88 4.20 -0.73 -0.75 -3.07 115.58 116.41 2dmm h ASN 62 Ca 0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2dmm h ASN 62 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 2dmm h ASN 62 CO 0.02 0.14 -0.98 -0.11 -0.37 0.00 0.00 177.43 176.13 2dmm n LEU 63 N -3.18 0.77 -0.36 0.34 7.94 -0.76 -4.23 117.00 117.53 2dmm n LEU 63 Ca 0.02 0.27 -0.09 0.00 -1.11 0.00 0.00 56.01 55.10 2dmm n LEU 63 Cb 0.50 -0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.31 2dmm n LEU 63 CO 0.34 -0.14 0.52 -0.08 -1.11 0.00 0.00 177.39 176.92 2dmm h GLU 64 N 0.00 -0.06 -0.09 1.96 4.81 -1.08 0.69 114.58 120.80 2dmm h GLU 64 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2dmm h GLU 64 Cb 0.93 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2dmm h GLU 64 CO 0.00 -0.04 -0.46 -1.00 -0.73 0.00 0.00 179.01 176.77 2dmm h PRO 65 N -0.07 0.21 0.00 0.92 0.13 -1.78 0.10 132.00 131.52 2dmm h PRO 65 Ca 0.20 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 2dmm h PRO 65 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2dmm h PRO 65 CO -0.89 0.64 -0.37 0.87 -0.23 0.00 0.00 178.00 178.02 2dmm h LYS 66 N 0.17 0.00 0.08 0.86 1.57 -0.88 -3.11 116.57 115.25 2dmm h LYS 66 Ca 0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.43 2dmm h LYS 66 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2dmm h LYS 66 CO 0.07 0.37 -2.10 0.98 -0.57 0.00 0.00 179.45 178.21 2dmm n TYR 67 N -3.89 0.90 -0.06 -1.35 9.36 0.21 -4.28 117.16 118.06 2dmm n TYR 67 Ca -0.01 0.20 -0.13 0.00 3.32 0.00 0.00 57.90 61.28 2dmm n TYR 67 Cb 0.43 -1.12 -0.09 0.00 -0.63 0.00 0.00 39.34 37.93 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 0.05 -0.44 -0.97 2.98 3.64 -0.78 -1.87 116.57 119.18 2dmm h LYS 68 Ca -0.45 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.10 2dmm h LYS 68 Cb 2.01 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 33.78 2dmm h LYS 68 CO 0.04 -0.29 -0.42 0.93 -2.27 0.00 0.00 179.45 177.44 2dmm h GLU 69 N -0.45 -0.01 -1.07 1.90 5.08 -1.76 0.77 114.58 119.03 2dmm h GLU 69 Ca 0.04 0.00 0.41 0.00 -1.00 0.00 0.00 59.36 58.81 2dmm h GLU 69 Cb 0.58 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.66 2dmm h GLU 69 CO -0.45 -0.01 0.61 1.25 -1.00 0.00 0.00 179.01 179.41 2dmm h LEU 70 N -0.02 0.34 0.48 1.33 5.85 -1.53 0.31 115.31 122.07 2dmm h LEU 70 Ca 0.31 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 59.23 2dmm h LEU 70 Cb 0.57 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2dmm h LEU 70 CO -0.96 -0.33 -0.23 1.23 -0.34 0.00 0.00 178.44 177.81 2dmm h GLY 71 N 0.08 -0.67 2.00 3.75 0.00 0.65 0.96 103.07 109.84 2dmm h GLY 71 Ca 0.83 0.25 0.00 0.00 0.00 0.00 0.00 47.33 48.40 2dmm h GLY 71 CO -0.67 -0.24 0.00 1.05 0.00 0.00 0.00 176.54 176.68 2dmm h GLU 72 N -0.68 0.00 0.13 4.80 4.11 -1.14 -1.61 114.58 120.19 2dmm h GLU 72 Ca -0.07 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.18 2dmm h GLU 72 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 2dmm h GLU 72 CO 0.11 0.00 -0.85 0.87 0.07 0.00 0.00 179.01 179.21 2dmm h LYS 73 N 0.00 0.27 -0.05 1.06 1.79 -0.17 -3.28 116.57 116.19 2dmm h LYS 73 Ca 0.00 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2dmm h LYS 73 Cb 0.09 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2dmm h LYS 73 CO 0.00 1.22 0.00 1.28 -1.08 0.00 0.00 179.45 180.87 2dmm n LEU 74 N -4.14 0.62 0.30 2.94 4.77 0.31 -3.93 117.00 117.87 2dmm n LEU 74 Ca -0.15 -0.25 0.15 0.00 -0.03 0.00 0.00 56.01 55.73 2dmm n LEU 74 Cb 0.81 -0.03 0.82 0.00 -2.33 0.00 0.00 43.42 42.69 2dmm n LEU 74 CO 0.46 0.12 1.08 -1.28 -1.33 0.00 0.00 177.39 176.44 2dmm h SER 75 N 0.86 0.00 -0.26 -1.43 0.87 -1.38 0.61 113.55 112.83 2dmm h SER 75 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dmm h SER 75 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2dmm h SER 75 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2dmm n LYS 76 N -2.77 1.64 -3.68 2.24 4.01 -1.25 -4.66 118.16 113.68 2dmm n LYS 76 Ca -0.02 -0.95 -0.38 0.00 -0.51 0.00 0.00 58.31 56.45 2dmm n LYS 76 Cb 0.30 -1.23 -0.10 0.00 -0.51 0.00 0.00 35.03 33.49 2dmm n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dmm s ASP 77 N -0.97 5.44 0.00 4.39 1.01 0.21 -4.93 116.67 121.83 2dmm s ASP 77 Ca 0.18 -2.11 0.15 0.00 0.71 0.00 0.00 52.55 51.48 2dmm s ASP 77 Cb 0.09 -1.90 0.92 0.00 1.01 0.00 0.00 42.92 43.04 2dmm s ASP 77 CO 0.12 -0.58 1.34 -0.81 0.21 0.00 0.00 175.17 175.45 2dmm n PRO 78 N 4.55 0.49 -0.05 8.23 -0.04 -1.26 -2.48 135.00 144.44 2dmm n PRO 78 Ca -0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.38 2dmm n PRO 78 Cb 0.41 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.99 2.71 -4.71 3.54 3.02 -1.26 -5.00 115.26 112.57 2dmm n ASN 79 Ca 0.12 -0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 2dmm n ASN 79 Cb 0.05 0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 39.79 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 -2.23 4.53 -0.20 2.41 1.01 -1.04 -1.51 121.20 124.17 2dmm s ILE 80 Ca -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2dmm s ILE 80 Cb 0.03 -2.93 0.06 0.00 0.01 0.00 0.00 42.46 39.63 2dmm s ILE 80 CO 0.38 0.60 0.02 -0.69 0.00 0.00 0.00 174.94 175.24 2dmm s VAL 81 N -0.79 0.70 0.12 2.92 1.01 -1.15 -4.66 120.40 118.55 2dmm s VAL 81 Ca 0.12 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2dmm s VAL 81 Cb -0.12 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2dmm s VAL 81 CO 0.02 -0.17 0.99 -0.63 0.00 0.00 0.00 175.10 175.31 2dmm s ILE 82 N 1.78 4.38 0.28 2.22 -1.09 -1.26 -2.55 121.20 124.95 2dmm s ILE 82 Ca -0.02 1.98 -0.05 0.00 -2.23 0.00 0.00 60.65 60.34 2dmm s ILE 82 Cb -0.17 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.43 2dmm s ILE 82 CO -0.08 0.31 0.38 0.00 -1.23 0.00 0.00 174.94 174.32 2dmm s ALA 83 N -0.01 0.61 -0.03 9.38 0.00 -0.96 -1.04 121.76 129.71 2dmm s ALA 83 Ca 0.48 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 2dmm s ALA 83 Cb -0.24 1.21 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2dmm s ALA 83 CO 0.31 -0.76 0.12 -1.59 0.00 0.00 0.00 175.76 173.84 2dmm s LYS 84 N -3.65 0.24 -0.01 0.00 -2.85 0.14 -3.20 119.74 110.40 2dmm s LYS 84 Ca 0.31 -0.01 0.03 0.00 -1.00 0.00 0.00 55.97 55.29 2dmm s LYS 84 Cb 0.01 0.10 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 2dmm s LYS 84 CO 0.15 -0.04 -0.09 1.41 0.10 0.00 0.00 175.35 176.88 2dmm s MET 85 N -0.38 0.77 -1.10 1.78 1.75 -1.06 -0.98 119.30 120.09 2dmm s MET 85 Ca -0.05 -0.32 -0.13 0.00 -1.25 0.00 0.00 55.69 53.94 2dmm s MET 85 Cb -0.03 -0.74 0.20 0.00 2.84 0.00 0.00 34.83 37.09 2dmm s MET 85 CO 0.00 0.18 1.23 0.16 -0.65 0.00 0.00 175.02 175.94 2dmm s ASP 86 N -0.14 7.04 0.16 1.11 -4.77 -1.26 -2.80 116.67 116.00 2dmm s ASP 86 Ca 0.02 -2.97 -0.27 0.00 -3.30 0.00 0.00 52.55 46.03 2dmm s ASP 86 Cb -0.04 -2.33 0.01 0.00 -1.09 0.00 0.00 42.92 39.46 2dmm s ASP 86 CO -0.00 -0.66 1.56 0.00 0.70 0.00 0.00 175.17 176.77 2dmm h ALA 87 N 7.37 -0.42 -1.50 2.11 0.00 -1.71 0.59 119.26 125.70 2dmm h ALA 87 Ca 0.23 0.10 0.44 0.00 0.00 0.00 0.00 54.91 55.67 2dmm h ALA 87 Cb 0.92 1.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 2dmm h ALA 87 CO 1.11 -0.88 1.30 0.25 0.00 0.00 0.00 179.25 181.03 2dmm n THR 88 N -5.39 0.00 -0.09 0.00 -2.24 -1.26 0.18 114.28 105.48 2dmm n THR 88 Ca 0.01 1.34 -0.08 0.00 -2.27 0.00 0.00 64.05 63.05 2dmm n THR 88 Cb 0.34 -2.31 -0.14 0.00 -2.10 0.00 0.00 70.33 66.12 2dmm n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmm n ALA 89 N -2.58 1.58 -4.08 6.98 0.00 0.17 -4.91 120.51 117.67 2dmm n ALA 89 Ca 0.34 -1.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.28 2dmm n ALA 89 Cb 1.75 -0.14 -0.16 0.00 0.00 0.00 0.00 19.45 20.90 2dmm n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dmm s ASN 90 N -5.19 3.08 -0.14 0.00 2.20 0.48 -4.13 114.94 111.24 2dmm s ASN 90 Ca -0.09 -0.63 -0.33 0.00 -0.94 0.00 0.00 52.86 50.87 2dmm s ASN 90 Cb 0.05 -1.44 -0.10 0.00 -2.00 0.00 0.00 41.25 37.76 2dmm s ASN 90 CO 0.74 -0.00 2.00 -0.67 -2.94 0.00 0.00 177.10 176.22 2dmm n ASP 91 N 4.60 3.28 -4.61 3.54 2.03 -1.23 -4.09 116.55 120.07 2dmm n ASP 91 Ca -0.20 0.75 -0.43 0.00 0.52 0.00 0.00 54.79 55.43 2dmm n ASP 91 Cb 0.50 -1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.48 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 5.33 3.56 1.03 5.18 1.01 -1.26 -4.73 120.40 130.52 2dmm s VAL 92 Ca 0.96 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 2dmm s VAL 92 Cb -0.64 -3.68 0.25 0.00 0.00 0.00 0.00 36.38 32.32 2dmm s VAL 92 CO 0.48 -0.38 0.91 -0.81 0.00 0.00 0.00 175.10 175.30 2dmm n PRO 93 N 8.15 -2.79 -3.72 2.72 -0.04 -1.26 -4.82 135.00 133.24 2dmm n PRO 93 Ca 0.21 -1.46 -0.23 0.00 -0.04 0.00 0.00 63.50 61.99 2dmm n PRO 93 Cb 0.46 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2dmm n PRO 93 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmm s SER 94 N -3.97 6.32 0.39 3.54 1.04 -1.26 -2.82 113.70 116.94 2dmm s SER 94 Ca 0.59 0.25 0.18 0.00 0.48 0.00 0.00 55.95 57.45 2dmm s SER 94 Cb -0.06 -1.94 0.79 0.00 0.10 0.00 0.00 66.02 64.91 2dmm s SER 94 CO 0.45 -0.15 1.80 1.55 0.98 0.00 0.00 173.24 177.88 2dmm h PRO 95 N 1.11 0.00 -2.55 4.02 0.13 -1.90 -3.38 132.00 129.43 2dmm h PRO 95 Ca -0.51 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.29 2dmm h PRO 95 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2dmm h PRO 95 CO 0.62 0.35 0.53 0.66 -0.23 0.00 0.00 178.00 179.93 2dmm n TYR 96 N -3.73 0.52 -3.85 1.56 4.01 -1.13 -4.84 117.16 109.71 2dmm n TYR 96 Ca -0.01 0.35 -0.31 0.00 -0.16 0.00 0.00 57.90 57.77 2dmm n TYR 96 Cb 0.45 -0.97 -0.11 0.00 -0.31 0.00 0.00 39.34 38.39 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 2.41 2.49 -0.53 -0.72 2.56 -1.26 -4.38 118.70 119.26 2dmm s GLU 97 Ca 0.50 -3.05 -0.28 0.00 0.00 0.00 0.00 54.97 52.14 2dmm s GLU 97 Cb -0.64 -3.53 0.02 0.00 2.00 0.00 0.00 34.13 31.98 2dmm s GLU 97 CO 0.29 -1.22 1.34 0.08 -0.56 0.00 0.00 175.26 175.19 2dmm s VAL 98 N -0.97 3.90 -0.09 3.70 1.01 -1.26 -4.81 120.40 121.88 2dmm s VAL 98 Ca 0.22 0.82 0.15 0.00 0.00 0.00 0.00 61.98 63.17 2dmm s VAL 98 Cb -0.13 -4.47 0.31 0.00 0.00 0.00 0.00 36.38 32.09 2dmm s VAL 98 CO -0.10 -1.12 1.15 0.54 0.00 0.00 0.00 175.10 175.57 2dmm n ARG 99 N 8.43 0.76 0.00 2.72 5.12 -1.26 -5.02 116.66 127.41 2dmm n ARG 99 Ca 0.12 -2.32 0.00 0.00 -1.93 0.00 0.00 57.85 53.73 2dmm n ARG 99 Cb 0.49 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 2dmm n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dmm n GLY 100 N -0.51 0.82 3.93 -0.13 0.00 -1.26 -5.17 105.19 102.87 2dmm n GLY 100 Ca 0.11 0.59 -0.27 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 3.49 0.58 1.61 0.40 -1.26 -3.90 117.98 118.90 2dmm s PHE 101 Ca 0.00 0.22 -0.18 0.00 -0.60 0.00 0.00 56.93 56.37 2dmm s PHE 101 Cb 0.00 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 2dmm s PHE 101 CO 0.00 0.47 1.13 -1.25 0.70 0.00 0.00 175.22 176.27 2dmm s PRO 102 N -3.18 3.20 -0.10 0.24 0.04 -1.26 -5.01 135.00 128.92 2dmm s PRO 102 Ca 0.36 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2dmm s PRO 102 Cb -0.11 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2dmm s PRO 102 CO 0.29 -0.96 -0.09 0.99 0.04 0.00 0.00 177.00 177.26 2dmm s THR 103 N -1.92 1.09 -0.13 1.26 2.01 -0.87 -5.07 115.64 112.02 2dmm s THR 103 Ca 0.71 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.37 2dmm s THR 103 Cb -0.23 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2dmm s THR 103 CO 0.31 0.37 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.76 2dmm s ILE 104 N 1.37 2.18 0.14 1.82 1.01 -1.26 0.25 121.20 126.71 2dmm s ILE 104 Ca -0.01 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.76 2dmm s ILE 104 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2dmm s ILE 104 CO -0.05 0.55 -0.17 -0.31 0.00 0.00 0.00 174.94 174.96 2dmm s TYR 105 N 0.66 1.65 -0.08 3.97 2.02 0.11 -2.25 117.35 123.44 2dmm s TYR 105 Ca -0.10 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2dmm s TYR 105 Cb -0.16 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.56 2dmm s TYR 105 CO 0.02 0.25 -0.16 0.12 -1.57 0.00 0.00 175.55 174.20 2dmm s PHE 106 N -2.01 1.83 -0.59 2.71 5.36 -0.82 -0.97 117.98 123.49 2dmm s PHE 106 Ca 0.12 -0.72 -0.14 0.00 -0.96 0.00 0.00 56.93 55.24 2dmm s PHE 106 Cb -0.06 -1.29 0.15 0.00 -0.34 0.00 0.00 43.02 41.48 2dmm s PHE 106 CO 0.05 -0.33 0.52 0.45 -1.46 0.00 0.00 175.22 174.45 2dmm s SER 107 N 0.58 6.17 1.04 6.13 0.15 0.22 -2.64 113.70 125.36 2dmm s SER 107 Ca -0.16 -2.04 -0.13 0.00 0.70 0.00 0.00 55.95 54.32 2dmm s SER 107 Cb -0.16 -2.16 0.21 0.00 -1.71 0.00 0.00 66.02 62.20 2dmm s SER 107 CO 0.05 -0.75 1.10 -2.16 1.20 0.00 0.00 173.24 172.68 2dmm s PRO 108 N 1.19 0.08 0.02 5.44 0.04 -1.26 -1.30 135.00 139.20 2dmm s PRO 108 Ca 0.07 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 2dmm s PRO 108 Cb -0.25 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2dmm s PRO 108 CO -0.00 -2.94 0.75 0.00 0.04 0.00 0.00 177.00 174.85 2dmm s ALA 109 N -2.97 3.36 -0.88 8.56 0.00 -1.26 -3.81 121.76 124.75 2dmm s ALA 109 Ca 0.66 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2dmm s ALA 109 Cb -0.17 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2dmm s ALA 109 CO 0.57 0.02 0.00 0.27 0.00 0.00 0.00 175.76 176.63 2dmm n ASN 110 N 3.06 -3.36 0.00 0.00 6.94 -1.26 -4.73 115.26 115.91 2dmm n ASN 110 Ca -0.02 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 2dmm n ASN 110 Cb 0.51 -2.90 0.00 0.00 -2.36 0.00 0.00 39.78 35.03 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 -2.70 0.76 -0.30 -3.83 5.02 -1.25 -4.87 118.16 110.99 2dmm n LYS 111 Ca -0.12 -0.71 -0.00 0.00 -2.02 0.00 0.00 58.31 55.46 2dmm n LYS 111 Cb 0.58 -0.73 0.04 0.00 -0.02 0.00 0.00 35.03 34.90 2dmm n LYS 111 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dmm n LYS 112 N -0.15 -0.17 -0.36 1.97 4.01 -1.26 0.56 118.16 122.76 2dmm n LYS 112 Ca 0.00 1.23 0.02 0.00 -0.51 0.00 0.00 58.31 59.05 2dmm n LYS 112 Cb 0.30 -1.82 0.08 0.00 -0.51 0.00 0.00 35.03 33.08 2dmm n LYS 112 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2dmm n LEU 113 N -5.19 -0.49 -3.96 -0.35 4.77 -1.26 -3.28 117.00 107.24 2dmm n LEU 113 Ca 0.09 1.65 -0.30 0.00 -0.03 0.00 0.00 56.01 57.41 2dmm n LEU 113 Cb 0.33 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 2dmm n LEU 113 CO -0.11 -1.53 -0.26 0.21 -1.33 0.00 0.00 177.39 174.38 2dmm s ASN 114 N -5.30 4.48 0.82 -1.43 2.47 0.19 -4.89 114.94 111.28 2dmm s ASN 114 Ca -0.14 -2.56 0.00 0.00 0.42 0.00 0.00 52.86 50.59 2dmm s ASN 114 Cb 0.22 -1.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.45 2dmm s ASN 114 CO 0.71 -0.31 0.00 -0.81 -3.72 0.00 0.00 177.10 172.97 2dmm n PRO 115 N 3.71 -0.66 -3.57 0.43 -0.04 -1.21 -4.87 135.00 128.80 2dmm n PRO 115 Ca 0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 2dmm n PRO 115 Cb 0.37 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.68 2dmm n PRO 115 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2dmm s LYS 116 N -2.46 0.11 0.40 0.54 -0.14 -1.08 -5.01 119.74 112.08 2dmm s LYS 116 Ca 0.00 0.05 -0.25 0.00 -1.36 0.00 0.00 55.97 54.41 2dmm s LYS 116 Cb 0.00 -1.53 -0.09 0.00 -1.68 0.00 0.00 37.83 34.54 2dmm s LYS 116 CO 0.00 -0.65 1.14 0.21 -0.76 0.00 0.00 175.35 175.30 2dmm s LYS 117 N 2.21 4.09 -0.50 1.68 2.20 -1.26 -1.94 119.74 126.22 2dmm s LYS 117 Ca 0.04 1.77 -0.22 0.00 -0.36 0.00 0.00 55.97 57.21 2dmm s LYS 117 Cb -0.16 -2.67 0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2dmm s LYS 117 CO -0.10 -0.27 0.75 -0.47 -0.36 0.00 0.00 175.35 174.91 2dmm s TYR 118 N -1.45 2.96 -0.33 4.03 6.14 -0.95 -4.92 117.35 122.83 2dmm s TYR 118 Ca 0.57 -0.20 0.03 0.00 0.64 0.00 0.00 57.07 58.10 2dmm s TYR 118 Cb -0.29 -3.70 0.10 0.00 0.42 0.00 0.00 41.96 38.48 2dmm s TYR 118 CO 0.36 -1.11 0.05 -1.21 0.64 0.00 0.00 175.55 174.28 2dmm s GLU 119 N 3.19 1.34 0.00 4.97 2.02 -1.26 -4.75 118.70 124.20 2dmm s GLU 119 Ca 0.23 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.58 2dmm s GLU 119 Cb -0.15 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2dmm s GLU 119 CO 0.17 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2dmm n GLY 120 N 4.41 1.01 3.72 -1.39 0.00 -1.26 -5.14 105.19 106.54 2dmm n GLY 120 Ca 0.01 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 2.32 0.00 -0.02 0.00 -1.26 -4.96 107.32 103.40 2dmm s GLY 121 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.39 2dmm s GLY 121 CO 0.00 0.64 2.76 0.54 0.00 0.00 0.00 173.10 177.04 2dmm n ARG 122 N 3.64 1.47 -3.90 2.90 1.74 -1.26 -4.46 116.66 116.79 2dmm n ARG 122 Ca -0.09 -0.51 -0.36 0.00 -0.77 0.00 0.00 57.85 56.13 2dmm n ARG 122 Cb 0.52 -1.53 -0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.60 3.79 0.21 5.56 2.12 -1.26 -4.94 118.70 124.78 2dmm s GLU 123 Ca 0.34 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.34 2dmm s GLU 123 Cb 0.16 -3.24 0.30 0.00 0.26 0.00 0.00 34.13 31.61 2dmm s GLU 123 CO 0.00 0.49 1.27 -0.11 -0.54 0.00 0.00 175.26 176.37 2dmm n LEU 124 N 2.89 -0.40 -0.07 2.70 -0.00 -1.26 0.73 117.00 121.59 2dmm n LEU 124 Ca -0.18 1.41 -0.12 0.00 -0.00 0.00 0.00 56.01 57.12 2dmm n LEU 124 Cb 0.53 -0.38 -0.06 0.00 -0.00 0.00 0.00 43.42 43.52 2dmm n LEU 124 CO 0.34 -1.31 0.68 0.28 -0.00 0.00 0.00 177.39 177.37 2dmm h SER 125 N 0.00 0.42 -1.22 1.96 0.02 -1.94 -2.94 113.55 109.85 2dmm h SER 125 Ca 0.34 -0.40 0.35 0.00 -0.84 0.00 0.00 61.79 61.25 2dmm h SER 125 Cb 0.55 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.89 2dmm h SER 125 CO -0.83 0.72 0.83 0.44 -1.14 0.00 0.00 176.83 176.85 2dmm h ASP 126 N 0.11 0.23 -0.06 3.07 5.19 0.04 0.42 116.42 125.42 2dmm h ASP 126 Ca 0.05 0.06 -0.20 0.00 -0.62 0.00 0.00 57.03 56.33 2dmm h ASP 126 Cb 0.55 0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.11 2dmm h ASP 126 CO 0.03 -0.01 -0.73 -0.26 -3.12 0.00 0.00 179.24 175.15 2dmm h PHE 127 N 0.17 0.86 0.19 4.55 0.04 -1.04 -2.23 116.94 119.48 2dmm h PHE 127 Ca 0.67 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2dmm h PHE 127 Cb 2.17 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 40.19 2dmm h PHE 127 CO -0.00 1.24 -0.17 0.82 -0.60 0.00 0.00 178.31 179.60 2dmm h ILE 128 N 0.23 0.64 -0.06 -0.55 2.04 -0.09 -2.12 117.51 117.60 2dmm h ILE 128 Ca -0.07 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 2dmm h ILE 128 Cb 1.39 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2dmm h ILE 128 CO 0.15 0.00 -0.23 -1.28 0.00 0.00 0.00 178.15 176.79 2dmm h SER 129 N -0.38 0.10 -0.23 1.72 0.87 -1.38 -1.20 113.55 113.05 2dmm h SER 129 Ca -0.01 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2dmm h SER 129 Cb 0.34 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2dmm h SER 129 CO -0.02 0.34 0.14 0.22 -0.53 0.00 0.00 176.83 176.97 2dmm h TYR 130 N 0.09 0.27 -0.08 2.24 5.03 -0.87 -3.03 116.97 120.62 2dmm h TYR 130 Ca 0.02 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.15 2dmm h TYR 130 Cb 0.47 -0.09 0.01 0.00 1.55 0.00 0.00 36.73 38.67 2dmm h TYR 130 CO 0.00 0.17 -0.65 -0.07 -1.32 0.00 0.00 178.16 176.29 2dmm h LEU 131 N 0.29 0.71 -1.75 2.82 3.38 -1.19 -1.98 115.31 117.59 2dmm h LEU 131 Ca 0.09 -0.68 0.53 0.00 0.09 0.00 0.00 57.88 57.91 2dmm h LEU 131 Cb -0.02 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.42 2dmm h LEU 131 CO -0.03 1.28 1.23 0.00 0.09 0.00 0.00 178.44 181.01 2dmm n GLN 132 N -4.12 -0.01 -0.07 1.13 6.02 -0.47 0.44 117.38 120.30 2dmm n GLN 132 Ca -0.09 1.12 -0.08 0.00 -0.01 0.00 0.00 57.00 57.95 2dmm n GLN 132 Cb 0.68 -2.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.47 2dmm n GLN 132 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dmm n ARG 133 N -4.15 0.45 -0.14 -1.09 5.12 -1.19 -4.66 116.66 111.00 2dmm n ARG 133 Ca 0.43 0.18 -0.07 0.00 -1.93 0.00 0.00 57.85 56.46 2dmm n ARG 133 Cb 1.84 -1.29 -0.01 0.00 -1.16 0.00 0.00 32.46 31.85 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dmm h GLU 134 N -0.85 -0.21 -6.19 5.56 4.39 -0.81 -3.40 114.58 113.07 2dmm h GLU 134 Ca 0.00 0.01 -0.72 0.00 0.34 0.00 0.00 59.36 59.00 2dmm h GLU 134 Cb 0.85 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.57 2dmm h GLU 134 CO 0.00 -0.14 0.80 0.00 -1.16 0.00 0.00 179.01 178.51 2dmm n ALA 135 N -3.02 -0.31 -0.50 3.43 0.00 0.17 -4.89 120.51 115.40 2dmm n ALA 135 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2dmm n ALA 135 Cb 0.34 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2dmm n ALA 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dmm n THR 136 N 4.10 0.00 0.26 0.00 -2.24 -1.26 -3.46 114.28 111.68 2dmm n THR 136 Ca 0.24 1.25 -0.16 0.00 -2.27 0.00 0.00 64.05 63.12 2dmm n THR 136 Cb 0.15 -1.98 -0.08 0.00 -2.10 0.00 0.00 70.33 66.32 2dmm n THR 136 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2dmm h SER 137 N 0.00 -0.53 -4.20 3.42 0.87 -1.94 -3.49 113.55 107.68 2dmm h SER 137 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dmm h SER 137 Cb 0.00 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2dmm h SER 137 CO 0.00 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.58 2dmm n GLY 138 N -1.17 -2.17 0.28 5.77 0.00 -1.22 -4.27 105.19 102.41 2dmm n GLY 138 Ca -0.11 -1.58 0.17 0.00 0.00 0.00 0.00 46.02 44.50 2dmm n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm h PRO 139 N 0.00 0.00 -5.20 1.61 0.13 -1.92 -3.44 132.00 123.19 2dmm h PRO 139 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 2dmm h PRO 139 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2dmm h PRO 139 CO 0.00 0.02 1.53 0.45 -0.23 0.00 0.00 178.00 179.76 2dmm n SER 140 N -3.12 0.59 -4.98 1.44 2.88 -1.26 -4.89 113.62 104.29 2dmm n SER 140 Ca 0.00 -0.42 -0.20 0.00 -1.33 0.00 0.00 58.87 56.93 2dmm n SER 140 Cb 0.30 -1.10 -0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2dmm n SER 140 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmm s SER 141 N 7.96 5.97 0.00 -3.46 0.01 -1.26 -5.09 113.70 117.83 2dmm s SER 141 Ca 1.19 -0.10 0.27 0.00 1.31 0.00 0.00 55.95 58.63 2dmm s SER 141 Cb -0.73 -1.31 0.88 0.00 0.21 0.00 0.00 66.02 65.06 2dmm s SER 141 CO 0.39 -0.46 1.65 0.61 0.41 0.00 0.00 173.24 175.84