#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 -0.58 -0.09 1.61 0.15 -1.26 -5.16 113.70 108.37 2dmm s SER 2 Ca 0.00 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.31 2dmm s SER 2 Cb 0.00 1.62 0.04 0.00 -1.71 0.00 0.00 66.02 65.97 2dmm s SER 2 CO 0.00 -0.11 0.21 -0.44 1.20 0.00 0.00 173.24 174.10 2dmm s SER 3 N 2.53 -0.21 0.00 5.45 0.01 -1.26 -5.14 113.70 115.08 2dmm s SER 3 Ca -0.01 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2dmm s SER 3 Cb -0.07 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2dmm s SER 3 CO -0.17 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2dmm n GLY 4 N 4.03 2.04 3.56 3.44 0.00 -1.26 -5.19 105.19 111.81 2dmm n GLY 4 Ca -0.24 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2dmm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm s SER 5 N 0.00 -0.09 0.19 1.61 0.01 -1.26 -5.19 113.70 108.97 2dmm s SER 5 Ca 0.00 -0.90 -0.24 0.00 1.31 0.00 0.00 55.95 56.12 2dmm s SER 5 Cb 0.00 0.57 0.06 0.00 0.21 0.00 0.00 66.02 66.86 2dmm s SER 5 CO 0.00 -1.12 0.91 -0.55 0.41 0.00 0.00 173.24 172.90 2dmm s SER 6 N -3.01 -0.17 0.00 2.44 0.15 -1.26 -5.15 113.70 106.70 2dmm s SER 6 Ca 0.21 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2dmm s SER 6 Cb -0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2dmm s SER 6 CO 0.08 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.10 2dmm n GLY 7 N -0.49 3.29 3.85 9.45 0.00 -1.26 -4.96 105.19 115.07 2dmm n GLY 7 Ca -0.05 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2dmm n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dmm n PHE 8 N 0.81 -2.23 -3.55 1.61 3.72 -1.26 -4.94 117.46 111.61 2dmm n PHE 8 Ca 0.00 0.85 -0.38 0.00 -0.05 0.00 0.00 57.45 57.87 2dmm n PHE 8 Cb 0.00 -3.87 -0.10 0.00 -0.94 0.00 0.00 39.48 34.57 2dmm n PHE 8 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2dmm s ASP 9 N -3.22 6.10 0.18 4.37 -1.08 -1.26 -4.95 116.67 116.81 2dmm s ASP 9 Ca 0.64 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 2dmm s ASP 9 Cb -0.32 -2.14 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2dmm s ASP 9 CO 0.79 -0.06 0.00 0.61 0.52 0.00 0.00 175.17 177.03 2dmm n GLY 10 N 4.79 -2.29 3.05 2.66 0.00 -1.26 -4.91 105.19 107.23 2dmm n GLY 10 Ca -0.13 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.11 -6.12 -2.46 1.61 4.13 -1.26 -4.90 115.26 103.16 2dmm n ASN 11 Ca -0.02 -0.31 -0.34 0.00 1.68 0.00 0.00 54.58 55.59 2dmm n ASN 11 Cb 0.24 -4.91 0.05 0.00 -1.54 0.00 0.00 39.78 33.63 2dmm n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dmm n LEU 12 N -4.07 7.02 -4.67 3.41 -0.00 -1.26 -5.00 117.00 112.43 2dmm n LEU 12 Ca -0.10 -4.58 -0.42 0.00 -0.00 0.00 0.00 56.01 50.90 2dmm n LEU 12 Cb 0.61 -0.87 -0.03 0.00 -0.00 0.00 0.00 43.42 43.14 2dmm n LEU 12 CO 0.48 1.71 1.30 -0.75 -0.00 0.00 0.00 177.39 180.13 2dmm s LYS 13 N -3.84 4.20 -0.03 1.47 2.36 -1.26 -4.75 119.74 117.89 2dmm s LYS 13 Ca 0.58 2.11 0.01 0.00 -2.55 0.00 0.00 55.97 56.12 2dmm s LYS 13 Cb 0.47 -3.86 0.02 0.00 -1.05 0.00 0.00 37.83 33.40 2dmm s LYS 13 CO -0.13 -0.78 -0.04 0.50 1.55 0.00 0.00 175.35 176.45 2dmm s ARG 14 N 3.60 0.63 -0.10 4.03 6.06 -1.26 -5.08 118.95 126.82 2dmm s ARG 14 Ca 0.70 -0.08 -0.33 0.00 -2.50 0.00 0.00 55.73 53.53 2dmm s ARG 14 Cb -0.32 -0.67 0.13 0.00 0.06 0.00 0.00 34.95 34.14 2dmm s ARG 14 CO 0.28 -0.06 1.23 1.52 -2.50 0.00 0.00 175.30 175.78 2dmm s TYR 15 N 0.74 -0.09 -0.04 5.12 1.13 -1.26 -4.11 117.35 118.83 2dmm s TYR 15 Ca -0.09 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.60 2dmm s TYR 15 Cb -0.12 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2dmm s TYR 15 CO -0.00 -0.25 -0.03 1.47 -2.51 0.00 0.00 175.55 174.23 2dmm n LEU 16 N -0.27 2.08 -4.52 -3.49 -0.00 -1.26 -5.07 117.00 104.46 2dmm n LEU 16 Ca -0.04 -0.02 -0.25 0.00 -0.00 0.00 0.00 56.01 55.70 2dmm n LEU 16 Cb 0.60 -0.09 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 2dmm n LEU 16 CO 0.10 0.43 -0.41 -0.75 -0.00 0.00 0.00 177.39 176.76 2dmm s LYS 17 N -2.09 1.79 -0.03 1.47 2.20 -1.26 -5.02 119.74 116.80 2dmm s LYS 17 Ca -0.05 -1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 53.40 2dmm s LYS 17 Cb 0.01 -1.74 0.10 0.00 -1.51 0.00 0.00 37.83 34.69 2dmm s LYS 17 CO 0.12 0.21 0.83 -1.54 -0.36 0.00 0.00 175.35 174.61 2dmm s SER 18 N -3.58 -0.45 0.28 1.43 1.04 -1.26 -3.19 113.70 107.97 2dmm s SER 18 Ca 0.32 0.24 0.07 0.00 0.48 0.00 0.00 55.95 57.05 2dmm s SER 18 Cb -0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2dmm s SER 18 CO 0.16 -0.60 0.31 -1.61 0.98 0.00 0.00 173.24 172.48 2dmm s GLU 19 N -2.35 3.05 0.39 4.02 0.41 -1.26 -4.94 118.70 118.03 2dmm s GLU 19 Ca -0.00 -1.03 -0.26 0.00 -0.41 0.00 0.00 54.97 53.27 2dmm s GLU 19 Cb -0.01 -2.68 -0.09 0.00 -1.78 0.00 0.00 34.13 29.58 2dmm s GLU 19 CO -0.03 0.27 1.19 -1.25 -0.49 0.00 0.00 175.26 174.95 2dmm s PRO 20 N -3.98 4.09 0.16 0.39 0.04 -1.26 -4.55 135.00 129.88 2dmm s PRO 20 Ca 0.37 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2dmm s PRO 20 Cb -0.08 -2.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 2dmm s PRO 20 CO 0.28 -0.31 1.32 0.42 0.04 0.00 0.00 177.00 178.74 2dmm s ILE 21 N -1.36 3.34 0.38 0.56 -1.09 -1.26 -4.99 121.20 116.77 2dmm s ILE 21 Ca 0.56 1.04 -0.26 0.00 -2.23 0.00 0.00 60.65 59.75 2dmm s ILE 21 Cb -0.32 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2dmm s ILE 21 CO 0.41 0.12 1.20 -2.16 -1.23 0.00 0.00 174.94 173.28 2dmm s PRO 22 N 0.39 4.16 0.13 2.79 0.04 -1.26 -4.96 135.00 136.29 2dmm s PRO 22 Ca 0.59 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.51 2dmm s PRO 22 Cb -0.36 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 2dmm s PRO 22 CO 0.35 -0.26 1.32 1.05 0.04 0.00 0.00 177.00 179.50 2dmm h GLU 23 N 2.90 0.47 -4.94 4.56 4.11 -2.04 -3.42 114.58 116.22 2dmm h GLU 23 Ca -0.49 -0.47 -0.67 0.00 0.07 0.00 0.00 59.36 57.80 2dmm h GLU 23 Cb 1.23 0.13 -0.36 0.00 0.50 0.00 0.00 28.75 30.25 2dmm h GLU 23 CO 0.63 1.12 -0.82 -1.54 0.07 0.00 0.00 179.01 178.47 2dmm s SER 24 N -7.09 3.93 -0.37 3.06 1.04 -1.26 -4.99 113.70 108.02 2dmm s SER 24 Ca -0.07 -1.11 0.09 0.00 0.48 0.00 0.00 55.95 55.35 2dmm s SER 24 Cb 0.09 -1.52 0.44 0.00 0.10 0.00 0.00 66.02 65.13 2dmm s SER 24 CO 0.87 -0.12 1.10 -3.20 0.98 0.00 0.00 173.24 172.87 2dmm n ASN 25 N 4.50 3.93 -3.33 7.02 2.85 -1.26 -4.89 115.26 124.09 2dmm n ASN 25 Ca -0.17 -3.42 -0.33 0.00 -0.11 0.00 0.00 54.58 50.55 2dmm n ASN 25 Cb 0.45 -0.45 -0.02 0.00 1.24 0.00 0.00 39.78 41.01 2dmm n ASN 25 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2dmm n ASP 26 N -0.47 5.64 -0.88 1.20 2.03 -1.26 -4.87 116.55 117.94 2dmm n ASP 26 Ca 0.32 -3.65 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2dmm n ASP 26 Cb 0.77 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.05 5.53 0.25 0.27 0.00 -1.26 -5.06 105.19 104.97 2dmm n GLY 27 Ca 0.36 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 0.86 -4.79 1.61 0.13 -1.91 -3.41 132.00 124.48 2dmm h PRO 28 Ca 0.00 -0.45 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 2dmm h PRO 28 Cb 0.00 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 30.77 2dmm h PRO 28 CO 0.00 1.09 -0.79 0.08 -0.23 0.00 0.00 178.00 178.15 2dmm s VAL 29 N -4.39 2.11 0.31 1.56 1.01 -1.26 -3.18 120.40 116.57 2dmm s VAL 29 Ca -0.12 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 59.90 2dmm s VAL 29 Cb 0.10 -2.27 -0.12 0.00 0.00 0.00 0.00 36.38 34.09 2dmm s VAL 29 CO 0.86 -0.10 1.56 0.29 0.00 0.00 0.00 175.10 177.71 2dmm n LYS 30 N 4.44 2.65 -2.91 2.72 4.76 -1.00 -4.64 118.16 124.18 2dmm n LYS 30 Ca -0.12 0.94 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 2dmm n LYS 30 Cb 0.42 -2.70 -0.04 0.00 -1.84 0.00 0.00 35.03 30.87 2dmm n LYS 30 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dmm s VAL 31 N -0.30 4.91 -0.19 -0.18 1.01 -1.26 -0.63 120.40 123.77 2dmm s VAL 31 Ca 0.61 1.61 0.01 0.00 0.00 0.00 0.00 61.98 64.21 2dmm s VAL 31 Cb -0.50 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 31.77 2dmm s VAL 31 CO 0.53 0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 2dmm s VAL 32 N 1.86 2.16 0.08 2.92 1.01 0.74 -4.91 120.40 124.27 2dmm s VAL 32 Ca 0.39 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2dmm s VAL 32 Cb -0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2dmm s VAL 32 CO 0.14 0.51 -0.16 0.68 0.00 0.00 0.00 175.10 176.27 2dmm s VAL 33 N 1.30 2.93 0.31 2.92 -7.23 -1.26 -4.15 120.40 115.22 2dmm s VAL 33 Ca 0.05 -1.33 0.20 0.00 -1.81 0.00 0.00 61.98 59.08 2dmm s VAL 33 Cb -0.13 -2.31 0.32 0.00 0.56 0.00 0.00 36.38 34.81 2dmm s VAL 33 CO -0.12 0.19 1.21 0.00 -0.31 0.00 0.00 175.10 176.07 2dmm n ALA 34 N 1.07 0.89 -0.01 1.32 0.00 -1.26 0.19 120.51 122.71 2dmm n ALA 34 Ca -0.15 0.74 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 2dmm n ALA 34 Cb 0.52 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 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 0.14 -0.43 0.00 5.08 -1.89 -2.99 114.58 114.49 2dmm h GLU 35 Ca 0.66 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.79 2dmm h GLU 35 Cb 1.91 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.99 2dmm h GLU 35 CO -0.50 0.09 -0.00 0.27 -1.00 0.00 0.00 179.01 177.87 2dmm n ASN 36 N -5.02 2.64 0.22 1.42 6.94 0.49 -4.73 115.26 117.21 2dmm n ASN 36 Ca -0.05 -3.78 -0.09 0.00 -0.02 0.00 0.00 54.58 50.64 2dmm n ASN 36 Cb 0.04 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 36.75 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 1.02 -0.54 0.00 -2.53 3.04 0.63 -2.40 116.94 116.15 2dmm h PHE 37 Ca 0.28 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2dmm h PHE 37 Cb 1.80 0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.49 2dmm h PHE 37 CO 1.12 -0.34 0.00 -3.47 -2.02 0.00 0.00 178.31 173.60 2dmm n ASP 38 N -4.46 0.00 -0.03 0.41 -0.08 -1.26 0.71 116.55 111.85 2dmm n ASP 38 Ca -0.07 0.43 -0.20 0.00 -1.51 0.00 0.00 54.79 53.44 2dmm n ASP 38 Cb 0.23 -0.44 -0.13 0.00 2.34 0.00 0.00 41.12 43.12 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2dmm h GLU 39 N 0.00 0.15 0.00 -0.67 4.57 -1.75 -3.30 114.58 113.57 2dmm h GLU 39 Ca 0.00 -0.25 -0.40 0.00 -1.18 0.00 0.00 59.36 57.54 2dmm h GLU 39 Cb 0.03 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 2dmm h GLU 39 CO 0.00 1.12 -2.18 -0.89 -1.18 0.00 0.00 179.01 175.87 2dmm n ILE 40 N -4.22 1.53 0.41 2.32 5.41 -0.79 -4.64 119.36 119.38 2dmm n ILE 40 Ca -0.21 -0.28 -0.18 0.00 1.00 0.00 0.00 62.75 63.07 2dmm n ILE 40 Cb 0.75 -1.94 -0.09 0.00 -0.71 0.00 0.00 39.64 37.65 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 0.00 -3.12 1.39 2.07 0.08 -3.41 116.25 112.26 2dmm h VAL 41 Ca -0.60 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.37 2dmm h VAL 41 Cb 1.52 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2dmm h VAL 41 CO -0.36 0.00 0.68 0.20 0.02 0.00 0.00 177.57 178.10 2dmm s ASN 42 N -3.96 7.08 -0.30 0.57 0.02 -1.17 -4.67 114.94 112.51 2dmm s ASN 42 Ca -0.18 1.77 -0.07 0.00 -1.02 0.00 0.00 52.86 53.37 2dmm s ASN 42 Cb 0.03 -2.56 0.19 0.00 0.02 0.00 0.00 41.25 38.92 2dmm s ASN 42 CO 0.55 -0.56 0.89 0.21 0.02 0.00 0.00 177.10 178.21 2dmm s ASN 43 N 1.41 -0.82 0.00 -1.22 3.84 -1.26 -4.46 114.94 112.42 2dmm s ASN 43 Ca 0.55 0.30 0.26 0.00 0.21 0.00 0.00 52.86 54.17 2dmm s ASN 43 Cb -0.24 1.60 1.46 0.00 -0.55 0.00 0.00 41.25 43.52 2dmm s ASN 43 CO 0.21 -0.15 1.88 -0.62 -2.79 0.00 0.00 177.10 175.63 2dmm n GLU 44 N 5.35 0.67 -0.03 0.43 1.02 -1.26 -3.30 120.64 123.51 2dmm n GLU 44 Ca 0.01 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 2dmm n GLU 44 Cb 0.54 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.33 2dmm n GLU 44 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2dmm h ASN 45 N 0.00 0.21 -4.93 1.62 4.21 -1.98 -3.42 115.58 111.29 2dmm h ASN 45 Ca 0.00 -0.80 -0.26 0.00 1.21 0.00 0.00 56.30 56.45 2dmm h ASN 45 Cb 0.07 -0.07 -0.15 0.00 -1.12 0.00 0.00 38.32 37.06 2dmm h ASN 45 CO 0.00 1.45 -0.64 -1.59 -1.29 0.00 0.00 177.43 175.36 2dmm s LYS 46 N -2.39 1.13 0.39 0.81 0.00 -1.21 -5.08 119.74 113.39 2dmm s LYS 46 Ca -0.22 -1.57 -0.17 0.00 0.00 0.00 0.00 55.97 54.02 2dmm s LYS 46 Cb 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 37.83 37.73 2dmm s LYS 46 CO 0.71 -0.24 0.84 -0.51 0.00 0.00 0.00 175.35 176.15 2dmm s ASP 47 N -3.16 6.79 0.01 0.03 1.01 -0.33 -4.60 116.67 116.41 2dmm s ASP 47 Ca 0.29 1.44 -0.03 0.00 0.71 0.00 0.00 52.55 54.96 2dmm s ASP 47 Cb 0.07 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 2dmm s ASP 47 CO 0.06 -0.32 0.04 -0.69 0.21 0.00 0.00 175.17 174.47 2dmm s VAL 48 N -2.17 0.10 -0.16 -1.27 1.01 -1.12 -2.64 120.40 114.16 2dmm s VAL 48 Ca 0.57 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2dmm s VAL 48 Cb -0.10 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2dmm s VAL 48 CO 0.19 -0.44 -0.16 -0.22 0.00 0.00 0.00 175.10 174.46 2dmm s LEU 49 N -1.40 1.85 -0.11 3.92 2.96 -0.91 -0.29 118.68 124.70 2dmm s LEU 49 Ca -0.15 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2dmm s LEU 49 Cb -0.09 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2dmm s LEU 49 CO 0.00 -0.04 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.48 2dmm s ILE 50 N 1.41 4.21 -0.25 6.68 1.10 -1.13 -2.05 121.20 131.18 2dmm s ILE 50 Ca 0.05 -0.27 0.00 0.00 -0.51 0.00 0.00 60.65 59.92 2dmm s ILE 50 Cb -0.13 -2.79 0.07 0.00 0.15 0.00 0.00 42.46 39.76 2dmm s ILE 50 CO -0.12 0.57 -0.01 -0.70 -2.11 0.00 0.00 174.94 172.58 2dmm s GLU 51 N -0.52 1.33 -0.11 3.50 2.56 -1.18 0.02 118.70 124.30 2dmm s GLU 51 Ca 0.09 -1.01 -0.26 0.00 0.00 0.00 0.00 54.97 53.78 2dmm s GLU 51 Cb -0.12 -2.49 -0.02 0.00 2.00 0.00 0.00 34.13 33.50 2dmm s GLU 51 CO 0.02 -0.70 0.84 -0.06 -0.56 0.00 0.00 175.26 174.80 2dmm s PHE 52 N 1.44 3.51 0.35 5.30 0.40 0.30 -2.40 117.98 126.89 2dmm s PHE 52 Ca -0.01 1.36 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 2dmm s PHE 52 Cb -0.18 -2.99 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 2dmm s PHE 52 CO -0.10 -0.11 0.15 1.52 0.70 0.00 0.00 175.22 177.38 2dmm s TYR 53 N 1.57 1.73 -0.06 0.36 -0.85 -1.04 -1.45 117.35 117.62 2dmm s TYR 53 Ca 0.41 -1.32 0.04 0.00 -0.52 0.00 0.00 57.07 55.68 2dmm s TYR 53 Cb -0.18 -1.02 0.00 0.00 0.38 0.00 0.00 41.96 41.15 2dmm s TYR 53 CO 0.17 -0.40 -0.17 0.00 -1.52 0.00 0.00 175.55 173.63 2dmm s ALA 54 N -3.39 1.53 -1.59 9.51 0.00 -1.26 -3.62 121.76 122.94 2dmm s ALA 54 Ca 0.31 -0.64 0.15 0.00 0.00 0.00 0.00 51.96 51.77 2dmm s ALA 54 Cb 0.04 -0.56 0.80 0.00 0.00 0.00 0.00 23.12 23.40 2dmm s ALA 54 CO 0.17 0.23 1.39 -0.35 0.00 0.00 0.00 175.76 177.20 2dmm n PRO 55 N 3.39 0.29 -0.11 0.00 -0.04 -1.26 -2.06 135.00 135.20 2dmm n PRO 55 Ca -0.20 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2dmm n PRO 55 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.20 0.00 -3.89 0.54 4.27 -1.26 -4.95 117.44 110.95 2dmm n TRP 56 Ca 0.08 -0.73 -0.34 0.00 -3.89 0.00 0.00 57.50 52.63 2dmm n TRP 56 Cb 0.10 -0.11 -0.13 0.00 -1.36 0.00 0.00 31.31 29.81 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 7.87 0.50 -1.02 0.00 0.00 -1.92 0.41 103.07 108.91 2dmm h GLY 58 Ca -0.10 0.36 0.39 0.00 0.00 0.00 0.00 47.33 47.98 2dmm h GLY 58 CO 0.61 -0.31 0.60 1.42 0.00 0.00 0.00 176.54 178.86 2dmm n HIS 59 N -5.56 0.85 0.03 5.60 8.25 -1.26 0.10 115.22 123.22 2dmm n HIS 59 Ca 0.13 0.85 -0.13 0.00 -0.26 0.00 0.00 57.72 58.32 2dmm n HIS 59 Cb 0.45 -1.27 -0.09 0.00 1.12 0.00 0.00 29.99 30.20 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 -0.56 -0.17 0.00 0.00 3.11 0.72 1.61 116.57 121.27 2dmm h LYS 61 Ca -0.01 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2dmm h LYS 61 Cb 0.48 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2dmm h LYS 61 CO 0.02 -0.12 0.00 -0.97 -2.81 0.00 0.00 179.45 175.57 2dmm h ASN 62 N -0.18 0.00 0.25 4.20 -1.24 -1.43 -1.59 115.58 115.59 2dmm h ASN 62 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.21 2dmm h ASN 62 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2dmm h ASN 62 CO -0.55 0.00 -1.59 -0.11 -1.29 0.00 0.00 177.43 173.90 2dmm n LEU 63 N -2.78 0.33 -0.21 0.34 7.94 0.21 -4.35 117.00 118.48 2dmm n LEU 63 Ca -0.01 0.02 -0.06 0.00 -1.11 0.00 0.00 56.01 54.85 2dmm n LEU 63 Cb 0.16 -0.02 -0.01 0.00 0.53 0.00 0.00 43.42 44.08 2dmm n LEU 63 CO 0.20 -0.01 0.60 -0.08 -1.11 0.00 0.00 177.39 177.00 2dmm h GLU 64 N 0.00 -0.18 0.00 1.96 4.57 0.30 0.54 114.58 121.78 2dmm h GLU 64 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2dmm h GLU 64 Cb 0.92 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2dmm h GLU 64 CO 0.00 -0.12 -0.23 -1.00 -1.18 0.00 0.00 179.01 176.48 2dmm h PRO 65 N -0.19 0.00 0.02 0.92 0.13 -1.78 0.15 132.00 131.26 2dmm h PRO 65 Ca 0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.13 2dmm h PRO 65 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2dmm h PRO 65 CO -0.69 0.23 -0.95 0.87 -0.23 0.00 0.00 178.00 177.22 2dmm h LYS 66 N 0.00 0.22 0.03 0.86 1.79 -0.80 -3.23 116.57 115.43 2dmm h LYS 66 Ca -0.00 -0.26 -0.30 0.00 -2.18 0.00 0.00 60.65 57.90 2dmm h LYS 66 Cb 0.67 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.36 2dmm h LYS 66 CO 0.03 1.02 -1.75 -0.92 -1.08 0.00 0.00 179.45 176.75 2dmm h TYR 67 N 0.11 0.10 0.15 -1.35 3.20 0.10 -3.39 116.97 115.88 2dmm h TYR 67 Ca -0.06 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.76 2dmm h TYR 67 Cb 1.61 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.84 2dmm h TYR 67 CO 0.04 1.15 -0.37 -0.22 -1.64 0.00 0.00 178.16 177.12 2dmm h LYS 68 N 0.01 -0.59 -0.83 1.82 3.64 -0.79 -2.74 116.57 117.10 2dmm h LYS 68 Ca -0.31 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2dmm h LYS 68 Cb 2.02 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 33.84 2dmm h LYS 68 CO 0.08 -0.39 -0.47 0.93 -2.27 0.00 0.00 179.45 177.33 2dmm h GLU 69 N -0.61 -0.09 -1.00 1.90 5.08 -1.74 0.51 114.58 118.63 2dmm h GLU 69 Ca 0.02 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.77 2dmm h GLU 69 Cb 0.63 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.73 2dmm h GLU 69 CO -0.20 -0.06 0.51 1.25 -1.00 0.00 0.00 179.01 179.51 2dmm h LEU 70 N -0.09 0.30 0.08 1.33 5.85 -1.67 0.64 115.31 121.75 2dmm h LEU 70 Ca 0.23 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 2dmm h LEU 70 Cb 0.53 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2dmm h LEU 70 CO -0.86 -0.36 -0.04 1.23 -0.34 0.00 0.00 178.44 178.07 2dmm h GLY 71 N 0.07 -0.12 1.93 3.75 0.00 0.07 0.14 103.07 108.92 2dmm h GLY 71 Ca 0.80 0.04 0.00 0.00 0.00 0.00 0.00 47.33 48.18 2dmm h GLY 71 CO -0.74 -0.04 0.03 1.05 0.00 0.00 0.00 176.54 176.84 2dmm h GLU 72 N -0.12 0.00 0.02 4.80 4.11 -1.19 0.56 114.58 122.76 2dmm h GLU 72 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 2dmm h GLU 72 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2dmm h GLU 72 CO 0.02 0.00 -0.39 0.87 0.07 0.00 0.00 179.01 179.58 2dmm h LYS 73 N 0.00 0.23 -0.06 1.06 1.79 0.41 -3.24 116.57 116.76 2dmm h LYS 73 Ca 0.00 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2dmm h LYS 73 Cb 0.07 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2dmm h LYS 73 CO -0.00 1.02 0.00 1.28 -1.08 0.00 0.00 179.45 180.67 2dmm n LEU 74 N -4.39 1.06 0.15 2.94 4.77 0.48 -4.11 117.00 117.91 2dmm n LEU 74 Ca -0.10 -0.40 0.17 0.00 -0.03 0.00 0.00 56.01 55.65 2dmm n LEU 74 Cb 0.59 -0.03 0.60 0.00 -2.33 0.00 0.00 43.42 42.24 2dmm n LEU 74 CO 0.42 0.20 1.15 -1.28 -1.33 0.00 0.00 177.39 176.55 2dmm h SER 75 N 1.54 0.00 -0.46 -1.43 0.87 -0.94 1.22 113.55 114.35 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 0.33 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2dmm h SER 75 CO 0.00 0.00 0.13 0.29 -0.53 0.00 0.00 176.83 176.72 2dmm n LYS 76 N -3.17 3.06 -3.61 2.24 4.01 -1.26 -4.77 118.16 114.66 2dmm n LYS 76 Ca 0.06 -2.04 -0.40 0.00 -0.51 0.00 0.00 58.31 55.43 2dmm n LYS 76 Cb 0.76 -1.94 -0.09 0.00 -0.51 0.00 0.00 35.03 33.25 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 -0.50 5.59 0.00 4.39 1.11 0.42 -4.93 116.67 122.75 2dmm s ASP 77 Ca 0.36 -2.02 0.15 0.00 0.18 0.00 0.00 52.55 51.23 2dmm s ASP 77 Cb 0.28 -1.96 0.90 0.00 1.07 0.00 0.00 42.92 43.21 2dmm s ASP 77 CO 0.09 -0.64 1.34 -0.81 1.18 0.00 0.00 175.17 176.34 2dmm n PRO 78 N 4.73 0.44 -0.01 8.23 -0.04 -1.26 -2.94 135.00 144.15 2dmm n PRO 78 Ca -0.05 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 2dmm n PRO 78 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.04 3.97 -4.70 3.54 3.02 -1.26 -4.98 115.26 113.80 2dmm n ASN 79 Ca 0.11 -0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.30 2dmm n ASN 79 Cb 0.06 0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.29 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 -2.06 5.33 -0.24 2.41 1.01 -1.15 -1.19 121.20 125.30 2dmm s ILE 80 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.79 2dmm s ILE 80 Cb 0.01 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 39.10 2dmm s ILE 80 CO 0.08 0.42 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 2dmm s VAL 81 N 0.50 1.68 0.08 2.92 1.01 -1.08 -4.53 120.40 120.98 2dmm s VAL 81 Ca 0.07 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 2dmm s VAL 81 Cb -0.12 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2dmm s VAL 81 CO -0.01 -0.08 0.95 -0.63 0.00 0.00 0.00 175.10 175.33 2dmm s ILE 82 N 1.33 4.60 0.22 2.22 -1.09 -1.26 -2.14 121.20 125.07 2dmm s ILE 82 Ca -0.07 2.04 -0.09 0.00 -2.23 0.00 0.00 60.65 60.30 2dmm s ILE 82 Cb -0.19 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.37 2dmm s ILE 82 CO -0.06 0.29 0.34 0.00 -1.23 0.00 0.00 174.94 174.28 2dmm s ALA 83 N 0.22 0.21 0.06 9.38 0.00 -0.87 -2.36 121.76 128.39 2dmm s ALA 83 Ca 0.47 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2dmm s ALA 83 Cb -0.23 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 2dmm s ALA 83 CO 0.29 -0.74 -0.07 -1.59 0.00 0.00 0.00 175.76 173.65 2dmm s LYS 84 N -4.05 0.60 -0.09 0.00 -2.85 0.20 -3.13 119.74 110.42 2dmm s LYS 84 Ca 0.26 -0.93 -0.07 0.00 -1.00 0.00 0.00 55.97 54.24 2dmm s LYS 84 Cb 0.02 -0.22 0.03 0.00 -2.06 0.00 0.00 37.83 35.61 2dmm s LYS 84 CO 0.08 0.02 0.24 1.41 0.10 0.00 0.00 175.35 177.20 2dmm s MET 85 N -2.29 0.24 -1.08 1.78 1.75 -1.01 -0.18 119.30 118.51 2dmm s MET 85 Ca -0.04 0.41 -0.15 0.00 -1.25 0.00 0.00 55.69 54.67 2dmm s MET 85 Cb -0.05 0.02 0.18 0.00 2.84 0.00 0.00 34.83 37.82 2dmm s MET 85 CO -0.02 -0.09 1.25 -0.51 -0.65 0.00 0.00 175.02 175.01 2dmm s ASP 86 N 0.61 6.95 0.19 1.11 1.11 -1.26 -2.50 116.67 122.87 2dmm s ASP 86 Ca -0.04 -2.77 -0.23 0.00 0.18 0.00 0.00 52.55 49.69 2dmm s ASP 86 Cb -0.05 -2.36 0.09 0.00 1.07 0.00 0.00 42.92 41.67 2dmm s ASP 86 CO -0.03 -0.77 1.56 0.00 1.18 0.00 0.00 175.17 177.11 2dmm h ALA 87 N 7.64 -0.18 -1.23 5.23 0.00 -1.70 0.87 119.26 129.89 2dmm h ALA 87 Ca 0.24 0.17 0.35 0.00 0.00 0.00 0.00 54.91 55.66 2dmm h ALA 87 Cb 0.93 1.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.65 2dmm h ALA 87 CO 1.13 -0.77 0.86 1.79 0.00 0.00 0.00 179.25 182.26 2dmm h THR 88 N -0.13 0.37 0.00 0.00 1.35 -1.91 0.98 112.91 113.58 2dmm h THR 88 Ca 0.23 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 2dmm h THR 88 Cb 0.55 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2dmm h THR 88 CO -0.80 0.02 -1.23 0.00 -0.25 0.00 0.00 175.52 173.26 2dmm n ALA 89 N -2.68 2.61 -3.71 6.62 0.00 0.25 -4.85 120.51 118.76 2dmm n ALA 89 Ca 0.28 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 2dmm n ALA 89 Cb 1.24 -1.02 -0.17 0.00 0.00 0.00 0.00 19.45 19.49 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 -5.13 1.03 0.14 0.00 2.20 0.34 -4.21 114.94 109.31 2dmm s ASN 90 Ca -0.02 0.02 -0.35 0.00 -0.94 0.00 0.00 52.86 51.57 2dmm s ASN 90 Cb 0.11 -0.22 -0.15 0.00 -2.00 0.00 0.00 41.25 38.99 2dmm s ASN 90 CO 0.82 -0.20 1.42 -0.67 -2.94 0.00 0.00 177.10 175.53 2dmm n ASP 91 N 4.98 2.28 -4.72 3.54 2.03 -1.19 -4.06 116.55 119.41 2dmm n ASP 91 Ca -0.10 1.11 -0.42 0.00 0.52 0.00 0.00 54.79 55.90 2dmm n ASP 91 Cb 0.50 -1.31 -0.03 0.00 -0.72 0.00 0.00 41.12 39.56 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 0.54 3.74 0.00 5.18 1.01 -1.26 -4.82 120.40 124.79 2dmm s VAL 92 Ca 0.80 1.32 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2dmm s VAL 92 Cb -0.81 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2dmm s VAL 92 CO 0.44 0.14 0.00 -0.81 0.00 0.00 0.00 175.10 174.87 2dmm n PRO 93 N 3.42 -0.70 -4.30 2.72 -0.04 -1.26 -4.88 135.00 129.96 2dmm n PRO 93 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 2dmm n PRO 93 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.10 0.00 3.54 0.01 -1.26 -3.21 113.70 113.37 2dmm s SER 94 Ca 0.00 -1.06 0.15 0.00 1.31 0.00 0.00 55.95 56.35 2dmm s SER 94 Cb 0.00 -0.06 0.83 0.00 0.21 0.00 0.00 66.02 67.00 2dmm s SER 94 CO 0.00 -0.31 1.37 -0.81 0.41 0.00 0.00 173.24 173.90 2dmm n PRO 95 N -0.31 0.33 -1.07 12.44 -0.04 -1.26 -4.91 135.00 140.18 2dmm n PRO 95 Ca -0.08 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2dmm n PRO 95 Cb 0.61 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.16 0.62 -3.75 0.54 4.02 -1.20 -4.92 117.16 111.31 2dmm n TYR 96 Ca 0.09 0.74 -0.30 0.00 -0.01 0.00 0.00 57.90 58.43 2dmm n TYR 96 Cb 0.09 -1.46 -0.15 0.00 -0.02 0.00 0.00 39.34 37.79 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2dmm s GLU 97 N 0.47 0.78 -0.30 -0.72 2.02 -1.26 -4.61 118.70 115.08 2dmm s GLU 97 Ca 0.65 -0.97 -0.09 0.00 0.02 0.00 0.00 54.97 54.58 2dmm s GLU 97 Cb -0.91 -2.07 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 2dmm s GLU 97 CO 0.43 -0.90 0.12 0.08 0.02 0.00 0.00 175.26 175.02 2dmm s VAL 98 N 1.63 4.36 -0.07 2.63 1.01 -1.26 -4.92 120.40 123.77 2dmm s VAL 98 Ca 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2dmm s VAL 98 Cb -0.17 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2dmm s VAL 98 CO -0.21 0.08 -0.09 -1.14 0.00 0.00 0.00 175.10 173.75 2dmm n ARG 99 N 4.94 0.16 -4.76 2.72 3.00 -1.26 -5.02 116.66 116.44 2dmm n ARG 99 Ca -0.14 0.06 -0.33 0.00 -0.00 0.00 0.00 57.85 57.44 2dmm n ARG 99 Cb 0.49 -0.86 -0.16 0.00 0.00 0.00 0.00 32.46 31.93 2dmm n ARG 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2dmm s GLY 100 N -5.02 1.45 0.15 5.14 0.00 -1.26 -5.12 107.32 102.66 2dmm s GLY 100 Ca -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.65 2dmm s GLY 100 CO 0.14 -0.12 0.28 -1.36 0.00 0.00 0.00 173.10 172.05 2dmm s PHE 101 N 0.59 3.48 0.73 1.90 0.40 -1.26 -4.04 117.98 119.77 2dmm s PHE 101 Ca -0.10 0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 2dmm s PHE 101 Cb -0.16 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.74 2dmm s PHE 101 CO 0.03 0.52 1.10 -1.25 0.70 0.00 0.00 175.22 176.32 2dmm s PRO 102 N -3.24 2.48 -0.29 0.24 0.04 -1.26 -5.04 135.00 127.93 2dmm s PRO 102 Ca 0.34 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 2dmm s PRO 102 Cb -0.11 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.60 2dmm s PRO 102 CO 0.28 -1.48 0.09 0.99 0.04 0.00 0.00 177.00 176.92 2dmm s THR 103 N -2.67 0.73 -0.20 1.26 2.01 -0.53 -5.04 115.64 111.21 2dmm s THR 103 Ca 0.64 -1.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 2dmm s THR 103 Cb -0.19 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 2dmm s THR 103 CO 0.50 -0.59 0.36 -0.63 -0.69 0.00 0.00 174.62 173.57 2dmm s ILE 104 N 1.70 5.23 0.36 1.82 1.01 -1.26 -0.54 121.20 129.52 2dmm s ILE 104 Ca 0.08 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.36 2dmm s ILE 104 Cb -0.17 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 2dmm s ILE 104 CO -0.23 0.27 0.02 -1.22 0.00 0.00 0.00 174.94 173.78 2dmm n TYR 105 N 4.39 0.71 -3.72 3.97 4.01 0.10 -1.68 117.16 124.94 2dmm n TYR 105 Ca -0.09 -1.84 -0.12 0.00 -0.16 0.00 0.00 57.90 55.69 2dmm n TYR 105 Cb 0.51 -0.20 -0.11 0.00 -0.31 0.00 0.00 39.34 39.24 2dmm n TYR 105 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2dmm s PHE 106 N -2.40 -0.48 -0.68 -0.72 5.36 0.17 -2.82 117.98 116.41 2dmm s PHE 106 Ca 0.03 1.12 -0.09 0.00 -0.96 0.00 0.00 56.93 57.02 2dmm s PHE 106 Cb 0.00 0.18 0.18 0.00 -0.34 0.00 0.00 43.02 43.04 2dmm s PHE 106 CO 0.02 -0.25 0.57 0.45 -1.46 0.00 0.00 175.22 174.55 2dmm s SER 107 N 0.65 6.02 0.67 6.13 0.15 0.60 -2.07 113.70 125.85 2dmm s SER 107 Ca -0.04 -2.57 -0.14 0.00 0.70 0.00 0.00 55.95 53.90 2dmm s SER 107 Cb -0.05 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 2dmm s SER 107 CO -0.04 -0.54 1.11 -2.16 1.20 0.00 0.00 173.24 172.81 2dmm s PRO 108 N 0.36 2.74 -0.04 5.44 0.04 -1.26 -2.77 135.00 139.50 2dmm s PRO 108 Ca 0.15 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2dmm s PRO 108 Cb -0.17 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2dmm s PRO 108 CO -0.05 -1.30 0.95 0.00 0.04 0.00 0.00 177.00 176.64 2dmm s ALA 109 N -2.41 3.26 -1.27 8.56 0.00 -1.26 -3.36 121.76 125.28 2dmm s ALA 109 Ca 0.66 0.43 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2dmm s ALA 109 Cb -0.20 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2dmm s ALA 109 CO 0.43 -0.33 0.00 0.09 0.00 0.00 0.00 175.76 175.95 2dmm n ASN 110 N 4.23 -4.35 -2.92 0.00 3.02 -1.26 -4.92 115.26 109.06 2dmm n ASN 110 Ca 0.06 0.16 -0.18 0.00 -0.03 0.00 0.00 54.58 54.59 2dmm n ASN 110 Cb 0.50 -3.28 -0.01 0.00 -0.61 0.00 0.00 39.78 36.38 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dmm n LYS 111 N -2.44 1.68 -0.06 3.52 5.02 -1.21 -4.92 118.16 119.75 2dmm n LYS 111 Ca -0.14 -3.72 -0.05 0.00 -2.02 0.00 0.00 58.31 52.37 2dmm n LYS 111 Cb 0.53 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 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 2.95 0.00 -1.45 1.97 1.79 -1.91 -3.30 116.57 116.61 2dmm h LYS 112 Ca 0.07 0.00 0.42 0.00 -2.18 0.00 0.00 60.65 58.96 2dmm h LYS 112 Cb 0.95 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.54 2dmm h LYS 112 CO 0.59 0.37 1.21 1.28 -1.08 0.00 0.00 179.45 181.83 2dmm n LEU 113 N -4.71 0.00 -3.40 2.94 4.32 -1.26 -3.48 117.00 111.41 2dmm n LEU 113 Ca -0.04 0.81 -0.13 0.00 -0.02 0.00 0.00 56.01 56.63 2dmm n LEU 113 Cb 0.18 -0.36 -0.10 0.00 -1.62 0.00 0.00 43.42 41.52 2dmm n LEU 113 CO 0.13 -0.81 -0.12 0.20 -1.22 0.00 0.00 177.39 175.57 2dmm s ASN 114 N -3.69 0.85 1.13 -1.43 -0.87 -1.24 -4.91 114.94 104.77 2dmm s ASN 114 Ca -0.04 -0.12 -0.10 0.00 -1.57 0.00 0.00 52.86 51.03 2dmm s ASN 114 Cb 0.20 0.78 0.15 0.00 -0.02 0.00 0.00 41.25 42.36 2dmm s ASN 114 CO 0.65 -0.33 0.55 -0.81 -2.57 0.00 0.00 177.10 174.60 2dmm n PRO 115 N 5.34 -2.10 -4.02 -0.60 -0.04 -1.23 -4.83 135.00 127.52 2dmm n PRO 115 Ca -0.04 -0.89 -0.28 0.00 -0.04 0.00 0.00 63.50 62.26 2dmm n PRO 115 Cb 0.49 -0.83 -0.17 0.00 -0.04 0.00 0.00 33.50 32.95 2dmm n PRO 115 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2dmm s LYS 116 N -4.26 1.89 -0.14 0.54 2.47 -0.88 -5.01 119.74 114.35 2dmm s LYS 116 Ca 0.36 -0.40 -0.16 0.00 -1.56 0.00 0.00 55.97 54.21 2dmm s LYS 116 Cb -0.04 -1.81 -0.04 0.00 -1.46 0.00 0.00 37.83 34.48 2dmm s LYS 116 CO 0.28 -0.23 0.37 0.21 0.16 0.00 0.00 175.35 176.14 2dmm s LYS 117 N 1.52 4.29 -0.40 4.03 2.20 -1.26 0.46 119.74 130.57 2dmm s LYS 117 Ca 0.03 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 2dmm s LYS 117 Cb -0.13 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2dmm s LYS 117 CO -0.08 0.21 1.30 -0.47 -0.36 0.00 0.00 175.35 175.95 2dmm s TYR 118 N 0.51 2.61 -0.36 4.03 6.14 -0.68 -4.94 117.35 124.67 2dmm s TYR 118 Ca 0.20 0.75 0.02 0.00 0.64 0.00 0.00 57.07 58.69 2dmm s TYR 118 Cb -0.14 -4.22 0.11 0.00 0.42 0.00 0.00 41.96 38.13 2dmm s TYR 118 CO 0.07 -1.68 0.10 -1.21 0.64 0.00 0.00 175.55 173.47 2dmm s GLU 119 N 4.58 1.26 0.00 4.97 0.41 -1.26 -4.73 118.70 123.92 2dmm s GLU 119 Ca 0.56 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.42 2dmm s GLU 119 Cb -0.13 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 2dmm s GLU 119 CO 0.29 -0.99 0.00 0.41 -0.49 0.00 0.00 175.26 174.48 2dmm n GLY 120 N 4.28 1.12 3.69 -1.39 0.00 -1.26 -5.13 105.19 106.50 2dmm n GLY 120 Ca 0.03 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 2.16 0.00 -0.02 0.00 -1.26 -4.96 107.32 103.24 2dmm s GLY 121 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 2dmm s GLY 121 CO 0.00 0.73 2.75 0.54 0.00 0.00 0.00 173.10 177.12 2dmm n ARG 122 N 4.17 1.46 -4.00 2.90 1.74 -1.26 -4.40 116.66 117.27 2dmm n ARG 122 Ca -0.09 -0.52 -0.36 0.00 -0.77 0.00 0.00 57.85 56.11 2dmm n ARG 122 Cb 0.51 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.66 3.42 0.24 5.56 2.12 -1.26 -5.00 118.70 124.44 2dmm s GLU 123 Ca 0.35 -0.22 -0.13 0.00 0.36 0.00 0.00 54.97 55.33 2dmm s GLU 123 Cb 0.17 -3.11 0.33 0.00 0.26 0.00 0.00 34.13 31.77 2dmm s GLU 123 CO 0.00 0.69 1.58 1.25 -0.54 0.00 0.00 175.26 178.24 2dmm h LEU 124 N 5.27 -0.98 -0.81 2.70 7.12 -1.89 0.73 115.31 127.44 2dmm h LEU 124 Ca -0.52 0.27 -0.13 0.00 0.13 0.00 0.00 57.88 57.64 2dmm h LEU 124 Cb 1.21 0.59 -0.01 0.00 -0.53 0.00 0.00 40.66 41.92 2dmm h LEU 124 CO 0.59 -0.29 -0.52 0.77 -0.13 0.00 0.00 178.44 178.86 2dmm h SER 125 N -0.02 0.22 -0.36 1.25 4.64 -1.94 -2.95 113.55 114.38 2dmm h SER 125 Ca 0.39 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2dmm h SER 125 Cb 0.63 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2dmm h SER 125 CO -0.90 0.70 0.17 0.44 -0.87 0.00 0.00 176.83 176.36 2dmm h ASP 126 N 0.16 0.53 0.11 4.97 5.19 0.09 -1.65 116.42 125.81 2dmm h ASP 126 Ca 0.00 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.21 2dmm h ASP 126 Cb 0.97 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 2dmm h ASP 126 CO 0.08 0.48 -0.55 -0.26 -3.12 0.00 0.00 179.24 175.87 2dmm h PHE 127 N 0.58 0.58 0.12 4.55 0.04 -0.75 -2.03 116.94 120.03 2dmm h PHE 127 Ca 0.14 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2dmm h PHE 127 Cb 0.12 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2dmm h PHE 127 CO 0.01 0.91 -0.06 0.82 -0.60 0.00 0.00 178.31 179.39 2dmm h ILE 128 N 0.36 1.07 0.00 -0.55 2.04 -1.34 -2.55 117.51 116.54 2dmm h ILE 128 Ca 0.01 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 2dmm h ILE 128 Cb 1.07 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2dmm h ILE 128 CO 0.10 0.21 -0.11 -1.28 0.00 0.00 0.00 178.15 177.06 2dmm h SER 129 N -0.58 0.00 -0.10 1.72 0.87 -1.37 0.19 113.55 114.28 2dmm h SER 129 Ca -0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2dmm h SER 129 Cb 0.46 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2dmm h SER 129 CO 0.03 0.11 -0.08 0.22 -0.53 0.00 0.00 176.83 176.58 2dmm h TYR 130 N 0.00 0.27 0.05 2.24 3.20 -1.26 -3.31 116.97 118.16 2dmm h TYR 130 Ca -0.00 -0.07 -0.21 0.00 3.14 0.00 0.00 58.73 61.58 2dmm h TYR 130 Cb 0.27 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 38.51 2dmm h TYR 130 CO 0.00 0.62 -0.86 -0.07 -1.64 0.00 0.00 178.16 176.22 2dmm h LEU 131 N -0.17 0.67 -1.58 2.82 3.38 -1.15 -2.07 115.31 117.21 2dmm h LEU 131 Ca 0.02 -0.80 0.48 0.00 0.09 0.00 0.00 57.88 57.66 2dmm h LEU 131 Cb 0.57 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2dmm h LEU 131 CO 0.02 1.39 1.10 0.00 0.09 0.00 0.00 178.44 181.05 2dmm n GLN 132 N -4.05 -0.01 -0.09 1.13 6.02 0.66 -0.04 117.38 121.00 2dmm n GLN 132 Ca -0.12 1.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.70 2dmm n GLN 132 Cb 0.80 -2.20 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 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 -3.94 0.45 0.03 -1.09 5.12 -1.23 -4.63 116.66 111.36 2dmm n ARG 133 Ca 0.38 0.19 -0.14 0.00 -1.93 0.00 0.00 57.85 56.35 2dmm n ARG 133 Cb 1.65 -1.27 -0.08 0.00 -1.16 0.00 0.00 32.46 31.60 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 -0.79 -0.56 -5.63 5.56 4.39 -0.51 -3.41 114.58 113.62 2dmm h GLU 134 Ca -0.35 0.04 -0.79 0.00 0.34 0.00 0.00 59.36 58.60 2dmm h GLU 134 Cb 1.23 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2dmm h GLU 134 CO -0.21 -0.37 0.85 0.00 -1.16 0.00 0.00 179.01 178.11 2dmm n ALA 135 N -2.95 -0.78 -0.38 3.43 0.00 0.94 -4.81 120.51 115.96 2dmm n ALA 135 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2dmm n ALA 135 Cb 0.38 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 4.54 0.00 0.06 0.00 -2.24 -1.26 -2.88 114.28 112.51 2dmm n THR 136 Ca 0.37 0.85 -0.10 0.00 -2.27 0.00 0.00 64.05 62.90 2dmm n THR 136 Cb -0.05 -1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 66.91 2dmm n THR 136 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dmm h SER 137 N 0.00 -0.21 -4.25 3.42 0.02 -1.92 -3.51 113.55 107.10 2dmm h SER 137 Ca 0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2dmm h SER 137 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2dmm h SER 137 CO 0.00 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 2dmm n GLY 138 N 0.67 -0.93 3.72 -3.77 0.00 -1.14 -4.90 105.19 98.84 2dmm n GLY 138 Ca -0.07 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.32 4.34 0.19 1.61 0.04 -1.26 -4.90 135.00 133.69 2dmm s PRO 139 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2dmm s PRO 139 Cb 0.00 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 2dmm s PRO 139 CO 0.00 -0.41 0.90 0.45 0.04 0.00 0.00 177.00 177.99 2dmm s SER 140 N 1.08 7.54 -0.03 6.66 0.15 -1.26 -4.96 113.70 122.89 2dmm s SER 140 Ca 0.64 1.83 -0.01 0.00 0.70 0.00 0.00 55.95 59.10 2dmm s SER 140 Cb -0.36 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.36 2dmm s SER 140 CO 0.30 0.11 -0.03 -0.24 1.20 0.00 0.00 173.24 174.58 2dmm n SER 141 N 1.88 0.32 -0.68 5.45 2.88 -1.26 -5.20 113.62 117.01 2dmm n SER 141 Ca -0.02 0.03 0.09 0.00 -1.33 0.00 0.00 58.87 57.64 2dmm n SER 141 Cb 0.48 -0.08 0.07 0.00 -0.75 0.00 0.00 64.21 63.93 2dmm n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42