#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 4.74 0.11 1.61 1.04 -1.26 -5.08 113.70 114.87 2dmm s SER 2 Ca 0.00 -2.23 -0.16 0.00 0.48 0.00 0.00 55.95 54.04 2dmm s SER 2 Cb 0.00 -1.64 0.03 0.00 0.10 0.00 0.00 66.02 64.52 2dmm s SER 2 CO 0.00 -0.37 0.40 -0.55 0.98 0.00 0.00 173.24 173.70 2dmm s SER 3 N 0.82 -0.23 0.00 7.02 0.15 -1.26 -5.14 113.70 115.06 2dmm s SER 3 Ca 0.11 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2dmm s SER 3 Cb -0.20 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2dmm s SER 3 CO -0.07 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.16 2dmm n GLY 4 N -0.10 3.24 2.99 9.45 0.00 -1.26 -5.17 105.19 114.34 2dmm n GLY 4 Ca -0.16 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 2dmm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmm s SER 5 N 0.00 0.85 -0.17 1.61 0.15 -1.26 -5.15 113.70 109.74 2dmm s SER 5 Ca 0.00 -0.13 -0.32 0.00 0.70 0.00 0.00 55.95 56.20 2dmm s SER 5 Cb 0.00 -0.11 0.14 0.00 -1.71 0.00 0.00 66.02 64.34 2dmm s SER 5 CO 0.00 0.08 1.13 -0.55 1.20 0.00 0.00 173.24 175.10 2dmm s SER 6 N -0.13 -0.21 0.00 5.45 0.15 -1.26 -5.19 113.70 112.51 2dmm s SER 6 Ca 0.02 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2dmm s SER 6 Cb -0.03 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2dmm s SER 6 CO -0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dmm n GLY 7 N 0.19 0.39 3.86 9.45 0.00 -1.26 -5.15 105.19 112.67 2dmm n GLY 7 Ca -0.04 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 3.62 0.09 1.61 0.08 -1.26 -5.01 117.98 115.11 2dmm s PHE 8 Ca 0.00 0.76 -0.27 0.00 0.12 0.00 0.00 56.93 57.54 2dmm s PHE 8 Cb 0.00 -2.13 -0.14 0.00 -0.57 0.00 0.00 43.02 40.19 2dmm s PHE 8 CO 0.00 0.60 1.68 0.22 -0.10 0.00 0.00 175.22 177.62 2dmm h ASP 9 N 4.18 -0.43 0.00 1.36 3.58 -2.09 -3.47 116.42 119.56 2dmm h ASP 9 Ca -0.51 0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2dmm h ASP 9 Cb 1.21 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2dmm h ASP 9 CO 0.64 -0.26 0.00 0.61 -2.88 0.00 0.00 179.24 177.35 2dmm n GLY 10 N -1.29 -0.19 1.57 -0.78 0.00 -1.26 -5.02 105.19 98.22 2dmm n GLY 10 Ca -0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2dmm n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmm n ASN 11 N 0.00 5.51 -2.56 1.61 5.15 -1.26 -4.47 115.26 119.24 2dmm n ASN 11 Ca 0.00 -2.55 -0.34 0.00 -0.60 0.00 0.00 54.58 51.09 2dmm n ASN 11 Cb 0.00 -1.09 0.04 0.00 -0.53 0.00 0.00 39.78 38.20 2dmm n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2dmm n LEU 12 N 1.18 7.30 -4.46 1.20 4.77 -1.26 -4.94 117.00 120.79 2dmm n LEU 12 Ca 0.07 -4.37 -0.32 0.00 -0.03 0.00 0.00 56.01 51.36 2dmm n LEU 12 Cb 0.52 -1.07 -0.13 0.00 -2.33 0.00 0.00 43.42 40.41 2dmm n LEU 12 CO 0.09 1.61 -0.47 -0.54 -1.33 0.00 0.00 177.39 176.75 2dmm s LYS 13 N -3.36 2.36 -0.30 3.23 -0.14 -1.26 -3.16 119.74 117.11 2dmm s LYS 13 Ca 0.55 -0.79 -0.17 0.00 -1.36 0.00 0.00 55.97 54.20 2dmm s LYS 13 Cb 0.43 -2.30 0.18 0.00 -1.68 0.00 0.00 37.83 34.46 2dmm s LYS 13 CO -0.22 0.60 1.15 0.50 -0.76 0.00 0.00 175.35 176.62 2dmm s ARG 14 N -0.91 0.16 0.04 1.68 3.00 -1.26 -4.93 118.95 116.73 2dmm s ARG 14 Ca 0.12 0.37 -0.16 0.00 -1.00 0.00 0.00 55.73 55.07 2dmm s ARG 14 Cb -0.11 0.19 0.03 0.00 0.00 0.00 0.00 34.95 35.07 2dmm s ARG 14 CO 0.02 -0.05 0.36 1.52 0.00 0.00 0.00 175.30 177.14 2dmm s TYR 15 N 2.03 -0.19 -0.15 5.12 1.13 -1.26 -3.88 117.35 120.15 2dmm s TYR 15 Ca -0.02 0.11 0.09 0.00 -1.41 0.00 0.00 57.07 55.83 2dmm s TYR 15 Cb -0.03 0.16 -0.15 0.00 -1.10 0.00 0.00 41.96 40.83 2dmm s TYR 15 CO -0.16 -0.53 -0.02 1.47 -2.51 0.00 0.00 175.55 173.80 2dmm n LEU 16 N 0.57 0.99 -4.95 -3.49 -0.00 -1.26 -4.99 117.00 103.87 2dmm n LEU 16 Ca -0.19 -0.03 -0.20 0.00 -0.00 0.00 0.00 56.01 55.59 2dmm n LEU 16 Cb 0.59 0.02 -0.02 0.00 -0.00 0.00 0.00 43.42 44.02 2dmm n LEU 16 CO 0.21 0.49 -0.00 -0.54 -0.00 0.00 0.00 177.39 177.55 2dmm s LYS 17 N -2.34 3.09 -0.28 1.47 1.02 -1.26 -4.92 119.74 116.52 2dmm s LYS 17 Ca -0.13 -1.02 -0.20 0.00 0.02 0.00 0.00 55.97 54.65 2dmm s LYS 17 Cb 0.05 -2.75 0.12 0.00 -0.52 0.00 0.00 37.83 34.73 2dmm s LYS 17 CO 0.52 0.16 0.92 -1.54 -0.92 0.00 0.00 175.35 174.49 2dmm s SER 18 N -4.08 -0.58 0.30 2.83 1.04 -1.20 -3.41 113.70 108.60 2dmm s SER 18 Ca 0.41 1.01 0.04 0.00 0.48 0.00 0.00 55.95 57.89 2dmm s SER 18 Cb -0.09 1.15 -0.02 0.00 0.10 0.00 0.00 66.02 67.16 2dmm s SER 18 CO 0.29 -0.16 0.45 -1.61 0.98 0.00 0.00 173.24 173.19 2dmm s GLU 19 N 0.93 3.34 0.31 4.02 0.41 -1.23 -4.89 118.70 121.59 2dmm s GLU 19 Ca -0.04 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 53.52 2dmm s GLU 19 Cb -0.04 -2.80 -0.10 0.00 -1.78 0.00 0.00 34.13 29.41 2dmm s GLU 19 CO -0.11 0.22 1.23 -1.25 -0.49 0.00 0.00 175.26 174.85 2dmm s PRO 20 N -4.15 4.46 -0.03 0.39 0.04 -1.26 -4.67 135.00 129.78 2dmm s PRO 20 Ca 0.39 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 2dmm s PRO 20 Cb -0.09 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2dmm s PRO 20 CO 0.32 -0.04 1.44 0.42 0.04 0.00 0.00 177.00 179.18 2dmm s ILE 21 N -1.15 3.75 0.11 0.56 -1.09 -1.26 -4.97 121.20 117.15 2dmm s ILE 21 Ca 0.47 1.07 -0.31 0.00 -2.23 0.00 0.00 60.65 59.65 2dmm s ILE 21 Cb -0.37 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 36.75 2dmm s ILE 21 CO 0.48 -0.03 1.36 -2.16 -1.23 0.00 0.00 174.94 173.36 2dmm s PRO 22 N 2.88 4.34 0.20 2.79 0.04 -1.26 -4.93 135.00 139.06 2dmm s PRO 22 Ca 0.65 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 2dmm s PRO 22 Cb -0.31 -3.26 0.24 0.00 0.04 0.00 0.00 34.50 31.22 2dmm s PRO 22 CO 0.25 -0.41 1.72 1.05 0.04 0.00 0.00 177.00 179.66 2dmm h GLU 23 N 6.74 0.28 -3.19 4.56 4.11 -2.03 -3.42 114.58 121.63 2dmm h GLU 23 Ca -0.42 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 58.78 2dmm h GLU 23 Cb 1.21 -0.06 -0.29 0.00 0.50 0.00 0.00 28.75 30.10 2dmm h GLU 23 CO 0.85 0.19 -0.53 0.45 0.07 0.00 0.00 179.01 180.04 2dmm s SER 24 N -5.33 -0.18 -0.69 3.06 0.15 -1.26 -5.05 113.70 104.39 2dmm s SER 24 Ca -0.13 0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2dmm s SER 24 Cb 0.16 0.32 0.38 0.00 -1.71 0.00 0.00 66.02 65.17 2dmm s SER 24 CO 0.73 -0.13 1.73 0.59 1.20 0.00 0.00 173.24 177.36 2dmm n ASN 25 N 3.82 6.62 -0.26 5.45 3.02 -1.26 -4.77 115.26 127.88 2dmm n ASN 25 Ca -0.22 -3.80 0.25 0.00 -0.03 0.00 0.00 54.58 50.79 2dmm n ASN 25 Cb 0.54 -0.85 0.61 0.00 -0.61 0.00 0.00 39.78 39.47 2dmm n ASN 25 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2dmm h ASP 26 N 2.76 0.24 -1.80 6.41 5.19 -1.97 -3.43 116.42 123.81 2dmm h ASP 26 Ca 0.49 0.04 -0.52 0.00 -0.62 0.00 0.00 57.03 56.41 2dmm h ASP 26 Cb 0.42 -0.01 0.24 0.00 0.18 0.00 0.00 39.33 40.16 2dmm h ASP 26 CO 1.25 0.07 -2.00 0.61 -3.12 0.00 0.00 179.24 176.05 2dmm n GLY 27 N -1.60 -3.67 0.25 2.75 0.00 -1.26 -4.83 105.19 96.82 2dmm n GLY 27 Ca 0.22 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.13 0.00 -4.90 1.61 0.13 -1.88 -3.40 132.00 122.42 2dmm h PRO 28 Ca -0.43 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 2dmm h PRO 28 Cb 1.34 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.11 2dmm h PRO 28 CO 0.25 0.15 -0.80 0.08 -0.23 0.00 0.00 178.00 177.44 2dmm s VAL 29 N -3.76 2.25 0.31 1.56 1.01 -1.26 -3.58 120.40 116.93 2dmm s VAL 29 Ca -0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 2dmm s VAL 29 Cb 0.10 -2.24 -0.12 0.00 0.00 0.00 0.00 36.38 34.12 2dmm s VAL 29 CO 0.60 0.09 1.47 0.29 0.00 0.00 0.00 175.10 177.54 2dmm n LYS 30 N 4.49 2.45 -3.11 2.72 4.76 -0.70 -4.65 118.16 124.12 2dmm n LYS 30 Ca -0.15 0.86 -0.41 0.00 -2.87 0.00 0.00 58.31 55.74 2dmm n LYS 30 Cb 0.44 -2.57 -0.07 0.00 -1.84 0.00 0.00 35.03 31.00 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 -0.51 4.91 -0.21 -0.18 1.01 -1.26 0.00 120.40 124.16 2dmm s VAL 31 Ca 0.60 0.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 2dmm s VAL 31 Cb -0.54 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 2dmm s VAL 31 CO 0.55 -0.22 0.05 -0.69 0.00 0.00 0.00 175.10 174.80 2dmm s VAL 32 N 2.66 4.37 0.10 2.92 1.01 0.71 -4.91 120.40 127.25 2dmm s VAL 32 Ca 0.25 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2dmm s VAL 32 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dmm s VAL 32 CO 0.13 0.40 -0.24 0.68 0.00 0.00 0.00 175.10 176.08 2dmm s VAL 33 N 1.02 2.44 0.40 2.92 -7.23 -1.26 -4.20 120.40 114.48 2dmm s VAL 33 Ca 0.03 -1.55 0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2dmm s VAL 33 Cb -0.14 -2.05 0.45 0.00 0.56 0.00 0.00 36.38 35.19 2dmm s VAL 33 CO 0.03 0.18 1.43 0.00 -0.31 0.00 0.00 175.10 176.43 2dmm n ALA 34 N 1.15 1.22 0.05 1.32 0.00 -1.26 0.14 120.51 123.14 2dmm n ALA 34 Ca -0.17 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 2dmm n ALA 34 Cb 0.53 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.07 -0.55 0.00 5.08 -1.89 -3.12 114.58 114.04 2dmm h GLU 35 Ca 0.80 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.91 2dmm h GLU 35 Cb 2.55 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 31.66 2dmm h GLU 35 CO -0.45 0.08 0.15 0.27 -1.00 0.00 0.00 179.01 178.07 2dmm n ASN 36 N -5.06 3.11 0.18 1.42 6.94 0.31 -4.67 115.26 117.50 2dmm n ASN 36 Ca -0.08 -3.63 -0.13 0.00 -0.02 0.00 0.00 54.58 50.72 2dmm n ASN 36 Cb 0.12 -0.69 -0.08 0.00 -2.36 0.00 0.00 39.78 36.77 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 1.19 -0.46 0.00 -2.53 3.04 0.14 -2.54 116.94 115.78 2dmm h PHE 37 Ca 0.32 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.26 2dmm h PHE 37 Cb 2.02 0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.69 2dmm h PHE 37 CO 1.16 -0.13 0.00 -0.40 -2.02 0.00 0.00 178.31 176.93 2dmm n ASP 38 N -5.16 0.00 -0.01 0.41 5.75 -1.26 -0.07 116.55 116.21 2dmm n ASP 38 Ca -0.10 0.12 -0.22 0.00 -0.01 0.00 0.00 54.79 54.59 2dmm n ASP 38 Cb 0.28 -0.26 -0.14 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.22 0.00 0.11 4.57 -1.74 -3.33 114.58 114.40 2dmm h GLU 39 Ca 0.00 -0.38 -0.25 0.00 -1.18 0.00 0.00 59.36 57.55 2dmm h GLU 39 Cb 0.08 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 2dmm h GLU 39 CO 0.00 1.18 -1.76 -0.89 -1.18 0.00 0.00 179.01 176.36 2dmm n ILE 40 N -3.82 1.51 0.30 2.32 5.41 -0.96 -4.67 119.36 119.45 2dmm n ILE 40 Ca -0.29 -0.13 -0.16 0.00 1.00 0.00 0.00 62.75 63.17 2dmm n ILE 40 Cb 0.93 -2.09 -0.08 0.00 -0.71 0.00 0.00 39.64 37.69 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 -2.63 1.39 2.07 -0.72 -3.39 116.25 111.97 2dmm h VAL 41 Ca -0.38 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.57 2dmm h VAL 41 Cb 1.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2dmm h VAL 41 CO -0.23 0.00 1.23 0.20 0.02 0.00 0.00 177.57 178.79 2dmm s ASN 42 N -3.96 6.09 -0.30 0.57 0.02 -1.19 -4.82 114.94 111.36 2dmm s ASN 42 Ca -0.16 1.58 -0.11 0.00 -1.02 0.00 0.00 52.86 53.15 2dmm s ASN 42 Cb 0.03 -2.53 0.18 0.00 0.02 0.00 0.00 41.25 38.96 2dmm s ASN 42 CO 0.51 -1.50 1.02 0.21 0.02 0.00 0.00 177.10 177.36 2dmm s ASN 43 N 5.41 -0.51 0.00 -1.22 3.84 -1.26 -4.59 114.94 116.61 2dmm s ASN 43 Ca 0.79 0.20 0.20 0.00 0.21 0.00 0.00 52.86 54.26 2dmm s ASN 43 Cb -0.26 1.38 0.75 0.00 -0.55 0.00 0.00 41.25 42.57 2dmm s ASN 43 CO 0.32 -0.09 1.54 -1.84 -2.79 0.00 0.00 177.10 174.24 2dmm n GLU 44 N 5.33 1.67 -0.01 0.43 0.28 -1.26 -3.80 120.64 123.28 2dmm n GLU 44 Ca -0.00 -1.01 -0.15 0.00 -0.16 0.00 0.00 57.16 55.84 2dmm n GLU 44 Cb 0.55 -1.38 -0.14 0.00 1.43 0.00 0.00 31.44 31.90 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2dmm n ASN 45 N 0.24 1.48 -4.03 -1.84 5.15 -1.26 -4.10 115.26 110.90 2dmm n ASN 45 Ca 0.16 0.29 -0.10 0.00 -0.60 0.00 0.00 54.58 54.33 2dmm n ASN 45 Cb 0.30 -0.43 -0.11 0.00 -0.53 0.00 0.00 39.78 39.01 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2dmm s LYS 46 N -2.57 0.45 0.23 1.20 -2.85 -1.25 -5.09 119.74 109.85 2dmm s LYS 46 Ca -0.14 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 53.75 2dmm s LYS 46 Cb 0.07 -0.02 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 2dmm s LYS 46 CO 0.79 -0.03 1.28 -0.51 0.10 0.00 0.00 175.35 176.98 2dmm s ASP 47 N -1.79 6.93 -0.02 0.03 1.01 -0.84 -4.76 116.67 117.23 2dmm s ASP 47 Ca -0.09 2.43 0.02 0.00 0.71 0.00 0.00 52.55 55.61 2dmm s ASP 47 Cb -0.07 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2dmm s ASP 47 CO -0.02 -0.47 -0.07 -0.69 0.21 0.00 0.00 175.17 174.13 2dmm s VAL 48 N -0.27 0.64 -0.21 -1.27 1.01 -1.11 -2.08 120.40 117.10 2dmm s VAL 48 Ca 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 2dmm s VAL 48 Cb -0.36 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2dmm s VAL 48 CO 0.41 0.21 -0.12 -0.22 0.00 0.00 0.00 175.10 175.38 2dmm s LEU 49 N 0.22 2.59 -0.13 3.92 2.96 -1.01 0.31 118.68 127.55 2dmm s LEU 49 Ca -0.03 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 2dmm s LEU 49 Cb -0.08 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2dmm s LEU 49 CO 0.00 -0.03 0.00 -0.51 -1.32 0.00 0.00 176.35 174.50 2dmm s ILE 50 N 1.37 4.30 -0.13 6.68 1.10 -0.59 -1.44 121.20 132.49 2dmm s ILE 50 Ca 0.05 -0.23 -0.00 0.00 -0.51 0.00 0.00 60.65 59.95 2dmm s ILE 50 Cb -0.14 -2.86 0.02 0.00 0.15 0.00 0.00 42.46 39.63 2dmm s ILE 50 CO -0.08 0.54 -0.11 -0.70 -2.11 0.00 0.00 174.94 172.49 2dmm s GLU 51 N -0.25 1.88 -0.24 3.50 -6.30 -1.11 0.31 118.70 116.49 2dmm s GLU 51 Ca 0.06 -0.39 -0.15 0.00 -2.50 0.00 0.00 54.97 51.99 2dmm s GLU 51 Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 34.13 32.14 2dmm s GLU 51 CO 0.02 -0.25 0.35 -0.06 0.02 0.00 0.00 175.26 175.34 2dmm s PHE 52 N 1.60 3.30 0.47 5.30 0.08 0.29 -1.35 117.98 127.67 2dmm s PHE 52 Ca 0.05 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.57 2dmm s PHE 52 Cb -0.13 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 39.80 2dmm s PHE 52 CO -0.09 -0.11 0.06 2.48 -0.10 0.00 0.00 175.22 177.45 2dmm n TYR 53 N 4.89 0.75 -4.19 0.36 0.18 -1.11 -1.06 117.16 116.98 2dmm n TYR 53 Ca -0.09 -2.56 -0.19 0.00 1.88 0.00 0.00 57.90 56.94 2dmm n TYR 53 Cb 0.51 -0.20 -0.16 0.00 -0.38 0.00 0.00 39.34 39.11 2dmm n TYR 53 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dmm s ALA 54 N -2.97 0.62 -1.37 -3.48 0.00 -1.26 -3.78 121.76 109.51 2dmm s ALA 54 Ca 0.09 -0.13 0.15 0.00 0.00 0.00 0.00 51.96 52.07 2dmm s ALA 54 Cb 0.00 -0.31 0.72 0.00 0.00 0.00 0.00 23.12 23.54 2dmm s ALA 54 CO 0.06 0.05 1.41 -0.35 0.00 0.00 0.00 175.76 176.93 2dmm n PRO 55 N 3.63 0.18 -0.25 0.00 -0.04 -1.26 -2.19 135.00 135.07 2dmm n PRO 55 Ca -0.21 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2dmm n PRO 55 Cb 0.53 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.31 0.00 -4.07 0.54 4.27 -1.26 -4.97 117.44 110.63 2dmm n TRP 56 Ca 0.06 -0.95 -0.32 0.00 -3.89 0.00 0.00 57.50 52.40 2dmm n TRP 56 Cb 0.12 -0.15 -0.15 0.00 -1.36 0.00 0.00 31.31 29.77 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 7.80 0.96 -0.42 0.00 0.00 -1.93 0.58 103.07 110.06 2dmm h GLY 58 Ca -0.22 0.17 0.31 0.00 0.00 0.00 0.00 47.33 47.59 2dmm h GLY 58 CO 0.48 -0.39 0.69 0.45 0.00 0.00 0.00 176.54 177.77 2dmm h HIS 59 N 0.05 0.71 -0.43 5.60 3.86 -1.94 0.35 115.15 123.34 2dmm h HIS 59 Ca 0.49 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.70 2dmm h HIS 59 Cb 0.91 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2dmm h HIS 59 CO -0.51 -0.04 0.16 0.00 0.86 0.00 0.00 177.93 178.40 2dmm h LYS 61 N 0.56 0.87 -0.10 0.00 1.79 -0.32 0.99 116.57 120.36 2dmm h LYS 61 Ca 0.14 -0.25 -0.17 0.00 -2.18 0.00 0.00 60.65 58.19 2dmm h LYS 61 Cb 0.21 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2dmm h LYS 61 CO -0.01 0.87 -0.67 -0.97 -1.08 0.00 0.00 179.45 177.60 2dmm h ASN 62 N 0.75 0.48 1.19 0.86 -0.73 -1.02 -3.15 115.58 113.97 2dmm h ASN 62 Ca 0.15 -0.30 -0.15 0.00 1.87 0.00 0.00 56.30 57.87 2dmm h ASN 62 Cb 0.44 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 2dmm h ASN 62 CO 0.01 1.02 -0.83 0.25 -0.37 0.00 0.00 177.43 177.51 2dmm h LEU 63 N 0.30 0.00 -0.90 0.34 5.85 0.21 -3.35 115.31 117.76 2dmm h LEU 63 Ca -0.02 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2dmm h LEU 63 Cb 1.22 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 2dmm h LEU 63 CO 0.12 0.68 -0.47 1.21 -0.34 0.00 0.00 178.44 179.63 2dmm n GLU 64 N -3.20 -0.34 0.13 1.25 2.13 0.34 0.50 120.64 121.45 2dmm n GLU 64 Ca -0.01 1.37 -0.01 0.00 0.66 0.00 0.00 57.16 59.17 2dmm n GLU 64 Cb 0.82 -2.03 0.23 0.00 0.27 0.00 0.00 31.44 30.74 2dmm n GLU 64 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2dmm h PRO 65 N 0.00 0.10 -0.00 5.31 0.13 -1.73 0.14 132.00 135.95 2dmm h PRO 65 Ca 0.20 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 2dmm h PRO 65 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2dmm h PRO 65 CO -0.87 0.56 -0.43 0.87 -0.23 0.00 0.00 178.00 177.91 2dmm h LYS 66 N 0.09 0.00 0.05 0.86 1.57 -0.09 -3.13 116.57 115.91 2dmm h LYS 66 Ca 0.00 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2dmm h LYS 66 Cb 0.88 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 2dmm h LYS 66 CO 0.07 0.43 -1.84 0.98 -0.57 0.00 0.00 179.45 178.52 2dmm n TYR 67 N -4.03 0.87 -0.34 -1.35 9.36 0.18 -4.21 117.16 117.64 2dmm n TYR 67 Ca -0.02 0.27 -0.10 0.00 3.32 0.00 0.00 57.90 61.37 2dmm n TYR 67 Cb 0.46 -1.10 -0.08 0.00 -0.63 0.00 0.00 39.34 37.99 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 -0.49 -0.10 -0.75 2.98 3.64 -0.77 -1.20 116.57 119.88 2dmm h LYS 68 Ca -0.45 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.01 2dmm h LYS 68 Cb 1.68 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.43 2dmm h LYS 68 CO -0.11 -0.07 -0.49 0.93 -2.27 0.00 0.00 179.45 177.44 2dmm h GLU 69 N -0.10 -0.06 -1.30 1.90 5.08 -1.76 0.69 114.58 119.03 2dmm h GLU 69 Ca 0.17 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.97 2dmm h GLU 69 Cb 0.48 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 2dmm h GLU 69 CO -0.85 -0.04 0.84 -0.11 -1.00 0.00 0.00 179.01 177.85 2dmm n LEU 70 N -4.89 0.18 0.07 1.33 7.94 -0.46 0.26 117.00 121.42 2dmm n LEU 70 Ca 0.01 1.24 -0.03 0.00 -1.11 0.00 0.00 56.01 56.12 2dmm n LEU 70 Cb 0.23 -0.61 -0.01 0.00 0.53 0.00 0.00 43.42 43.56 2dmm n LEU 70 CO -0.11 -1.34 0.50 1.23 -1.11 0.00 0.00 177.39 176.56 2dmm h GLY 71 N 0.00 -0.17 2.00 -3.96 0.00 0.52 0.18 103.07 101.63 2dmm h GLY 71 Ca 0.81 0.06 0.00 0.00 0.00 0.00 0.00 47.33 48.20 2dmm h GLY 71 CO -0.40 -0.06 0.00 1.05 0.00 0.00 0.00 176.54 177.13 2dmm h GLU 72 N -0.17 0.00 -0.03 4.80 4.11 -1.08 -2.30 114.58 119.90 2dmm h GLU 72 Ca -0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.19 2dmm h GLU 72 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 2dmm h GLU 72 CO 0.03 0.00 -0.84 0.87 0.07 0.00 0.00 179.01 179.13 2dmm h LYS 73 N 0.00 0.63 -0.09 1.06 1.79 -0.07 -3.14 116.57 116.75 2dmm h LYS 73 Ca 0.00 -0.64 0.00 0.00 -2.18 0.00 0.00 60.65 57.83 2dmm h LYS 73 Cb 0.30 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2dmm h LYS 73 CO 0.00 1.24 0.00 1.28 -1.08 0.00 0.00 179.45 180.89 2dmm n LEU 74 N -3.99 1.08 -0.18 2.94 4.77 0.62 -4.05 117.00 118.18 2dmm n LEU 74 Ca -0.10 -0.43 0.16 0.00 -0.03 0.00 0.00 56.01 55.60 2dmm n LEU 74 Cb 0.78 -0.05 0.50 0.00 -2.33 0.00 0.00 43.42 42.32 2dmm n LEU 74 CO 0.52 0.22 1.21 -1.28 -1.33 0.00 0.00 177.39 176.73 2dmm h SER 75 N 1.48 0.41 0.12 -1.43 0.87 -1.37 0.41 113.55 114.04 2dmm h SER 75 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2dmm h SER 75 Cb 0.32 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2dmm h SER 75 CO 0.00 0.21 0.00 1.17 -0.53 0.00 0.00 176.83 177.68 2dmm n LYS 76 N -4.48 0.07 -3.42 2.24 4.81 -1.26 -4.27 118.16 111.86 2dmm n LYS 76 Ca 0.15 0.25 -0.44 0.00 -0.87 0.00 0.00 58.31 57.40 2dmm n LYS 76 Cb 0.54 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.03 2dmm n LYS 76 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2dmm s ASP 77 N -2.62 5.99 0.00 3.14 -1.08 0.14 -4.91 116.67 117.32 2dmm s ASP 77 Ca 0.05 -1.81 0.14 0.00 -0.52 0.00 0.00 52.55 50.42 2dmm s ASP 77 Cb 0.04 -2.13 0.86 0.00 -1.46 0.00 0.00 42.92 40.24 2dmm s ASP 77 CO 0.09 -0.78 1.28 -0.81 0.52 0.00 0.00 175.17 175.47 2dmm n PRO 78 N 5.11 0.49 -0.05 4.34 -0.04 -1.26 -2.62 135.00 140.97 2dmm n PRO 78 Ca -0.11 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 2dmm n PRO 78 Cb 0.41 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.96 2.82 -4.69 3.54 3.02 -1.26 -4.97 115.26 112.75 2dmm n ASN 79 Ca 0.11 -0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 2dmm n ASN 79 Cb 0.05 0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 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 -2.24 5.19 -0.23 2.41 1.01 -1.08 -1.98 121.20 124.28 2dmm s ILE 80 Ca -0.11 0.80 0.01 0.00 0.00 0.00 0.00 60.65 61.35 2dmm s ILE 80 Cb 0.04 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.80 2dmm s ILE 80 CO 0.34 0.28 -0.07 -0.69 0.00 0.00 0.00 174.94 174.80 2dmm s VAL 81 N 1.07 1.66 -0.16 2.92 1.01 -0.89 -4.74 120.40 121.28 2dmm s VAL 81 Ca 0.21 -1.25 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 2dmm s VAL 81 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2dmm s VAL 81 CO 0.08 -0.04 0.89 -0.63 0.00 0.00 0.00 175.10 175.41 2dmm s ILE 82 N 1.35 4.84 0.14 2.22 -1.09 -1.26 -2.42 121.20 124.98 2dmm s ILE 82 Ca -0.05 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.16 2dmm s ILE 82 Cb -0.19 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 2dmm s ILE 82 CO -0.06 0.00 -0.06 0.00 -1.23 0.00 0.00 174.94 173.59 2dmm s ALA 83 N 2.22 1.30 0.05 9.38 0.00 -0.52 -1.72 121.76 132.47 2dmm s ALA 83 Ca 0.41 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2dmm s ALA 83 Cb -0.17 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2dmm s ALA 83 CO 0.13 -0.21 -0.09 -1.59 0.00 0.00 0.00 175.76 174.00 2dmm s LYS 84 N -3.83 0.61 -0.02 0.00 -2.85 0.10 -2.76 119.74 111.00 2dmm s LYS 84 Ca 0.18 -0.83 -0.02 0.00 -1.00 0.00 0.00 55.97 54.30 2dmm s LYS 84 Cb 0.05 -0.42 0.00 0.00 -2.06 0.00 0.00 37.83 35.40 2dmm s LYS 84 CO 0.00 0.08 0.05 1.41 0.10 0.00 0.00 175.35 176.99 2dmm s MET 85 N -1.72 0.06 -0.84 1.78 1.75 -0.45 -0.21 119.30 119.68 2dmm s MET 85 Ca -0.07 0.06 -0.16 0.00 -1.25 0.00 0.00 55.69 54.27 2dmm s MET 85 Cb -0.09 0.03 0.17 0.00 2.84 0.00 0.00 34.83 37.78 2dmm s MET 85 CO 0.01 -0.01 0.90 0.34 -0.65 0.00 0.00 175.02 175.61 2dmm s ASP 86 N 0.01 6.65 0.24 1.11 2.15 -1.26 -2.76 116.67 122.81 2dmm s ASP 86 Ca -0.00 -2.31 -0.10 0.00 0.43 0.00 0.00 52.55 50.58 2dmm s ASP 86 Cb -0.00 -2.29 0.37 0.00 -0.30 0.00 0.00 42.92 40.69 2dmm s ASP 86 CO 0.00 -0.82 1.61 0.00 -0.17 0.00 0.00 175.17 175.79 2dmm h ALA 87 N 8.34 0.61 -0.37 3.66 0.00 -1.69 0.99 119.26 130.81 2dmm h ALA 87 Ca 0.08 0.28 0.11 0.00 0.00 0.00 0.00 54.91 55.38 2dmm h ALA 87 Cb 1.04 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2dmm h ALA 87 CO 0.93 -0.42 0.29 1.79 0.00 0.00 0.00 179.25 181.84 2dmm h THR 88 N 0.03 0.67 0.00 0.00 1.35 -1.91 0.23 112.91 113.28 2dmm h THR 88 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2dmm h THR 88 Cb 0.64 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2dmm h THR 88 CO -0.76 0.00 -0.87 0.00 -0.25 0.00 0.00 175.52 173.64 2dmm n ALA 89 N -2.53 3.70 -3.65 6.62 0.00 0.31 -4.87 120.51 120.09 2dmm n ALA 89 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 2dmm n ALA 89 Cb 0.47 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.49 -0.83 0.29 0.00 2.20 0.80 -3.23 114.94 110.68 2dmm s ASN 90 Ca 0.07 1.35 -0.30 0.00 -0.94 0.00 0.00 52.86 53.04 2dmm s ASN 90 Cb 0.16 1.70 -0.12 0.00 -2.00 0.00 0.00 41.25 40.98 2dmm s ASN 90 CO 0.79 -0.22 1.48 -0.67 -2.94 0.00 0.00 177.10 175.53 2dmm n ASP 91 N 5.03 3.32 -4.70 3.54 -0.08 -1.22 -3.96 116.55 118.47 2dmm n ASP 91 Ca -0.14 1.16 -0.41 0.00 -1.51 0.00 0.00 54.79 53.88 2dmm n ASP 91 Cb 0.52 -1.52 -0.04 0.00 2.34 0.00 0.00 41.12 42.42 2dmm n ASP 91 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dmm s VAL 92 N -0.23 4.92 0.00 5.18 1.01 -1.26 -4.72 120.40 125.29 2dmm s VAL 92 Ca 0.64 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.40 2dmm s VAL 92 Cb -0.56 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2dmm s VAL 92 CO 0.52 0.14 0.00 -0.81 0.00 0.00 0.00 175.10 174.95 2dmm n PRO 93 N 4.26 -0.66 -4.35 2.72 -0.04 -1.25 -4.86 135.00 130.82 2dmm n PRO 93 Ca 0.04 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 2dmm n PRO 93 Cb 0.50 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.88 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 4.19 0.05 3.54 0.01 -1.19 -2.94 113.70 115.84 2dmm s SER 94 Ca 0.00 -0.87 0.16 0.00 1.31 0.00 0.00 55.95 56.55 2dmm s SER 94 Cb 0.00 -0.60 0.67 0.00 0.21 0.00 0.00 66.02 66.31 2dmm s SER 94 CO 0.00 -0.09 1.50 -0.81 0.41 0.00 0.00 173.24 174.25 2dmm n PRO 95 N -0.86 0.03 -1.11 12.44 -0.04 -1.26 -4.59 135.00 139.61 2dmm n PRO 95 Ca -0.05 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.28 2dmm n PRO 95 Cb 0.61 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.63 0.15 -3.65 0.54 4.01 -1.15 -4.95 117.16 110.47 2dmm n TYR 96 Ca 0.03 0.78 -0.19 0.00 -0.16 0.00 0.00 57.90 58.36 2dmm n TYR 96 Cb 0.18 -1.55 -0.17 0.00 -0.31 0.00 0.00 39.34 37.49 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2dmm s GLU 97 N -0.30 -0.00 -0.21 -0.72 0.41 -1.26 -4.58 118.70 112.04 2dmm s GLU 97 Ca 0.61 0.41 0.02 0.00 -0.41 0.00 0.00 54.97 55.60 2dmm s GLU 97 Cb -0.87 -0.56 0.04 0.00 -1.78 0.00 0.00 34.13 30.96 2dmm s GLU 97 CO 0.43 -0.37 -0.15 0.08 -0.49 0.00 0.00 175.26 174.76 2dmm s VAL 98 N 2.23 2.00 -0.03 2.63 1.01 -1.26 -4.96 120.40 122.03 2dmm s VAL 98 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 2dmm s VAL 98 Cb -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2dmm s VAL 98 CO -0.05 0.30 -0.03 0.54 0.00 0.00 0.00 175.10 175.86 2dmm n ARG 99 N 4.58 0.06 -4.34 2.72 5.12 -1.26 -5.02 116.66 118.52 2dmm n ARG 99 Ca -0.18 0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.43 2dmm n ARG 99 Cb 0.47 -0.84 -0.15 0.00 -1.16 0.00 0.00 32.46 30.78 2dmm n ARG 99 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2dmm s GLY 100 N -4.61 1.48 0.18 -0.13 0.00 -1.26 -5.12 107.32 97.86 2dmm s GLY 100 Ca -0.03 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.59 2dmm s GLY 100 CO 0.05 0.15 0.34 -1.36 0.00 0.00 0.00 173.10 172.28 2dmm s PHE 101 N 1.02 3.48 0.82 1.90 0.40 -1.26 -4.11 117.98 120.24 2dmm s PHE 101 Ca -0.01 0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 2dmm s PHE 101 Cb -0.15 -1.76 0.09 0.00 0.51 0.00 0.00 43.02 41.71 2dmm s PHE 101 CO -0.03 0.44 1.09 -1.25 0.70 0.00 0.00 175.22 176.17 2dmm s PRO 102 N -3.31 1.84 -0.03 0.24 0.04 -1.26 -5.04 135.00 127.48 2dmm s PRO 102 Ca 0.37 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2dmm s PRO 102 Cb -0.11 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2dmm s PRO 102 CO 0.29 -1.89 0.04 0.99 0.04 0.00 0.00 177.00 176.47 2dmm s THR 103 N -2.92 -0.08 -0.05 1.26 2.01 -0.22 -5.06 115.64 110.58 2dmm s THR 103 Ca 0.62 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.98 2dmm s THR 103 Cb -0.17 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 2dmm s THR 103 CO 0.56 0.13 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.81 2dmm s ILE 104 N 1.58 2.70 0.15 1.82 1.01 -1.26 0.11 121.20 127.30 2dmm s ILE 104 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2dmm s ILE 104 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2dmm s ILE 104 CO -0.03 0.58 -0.03 -0.31 0.00 0.00 0.00 174.94 175.15 2dmm s TYR 105 N -0.54 1.14 -0.02 3.97 2.02 0.15 -2.86 117.35 121.20 2dmm s TYR 105 Ca 0.07 -0.95 0.02 0.00 -0.37 0.00 0.00 57.07 55.84 2dmm s TYR 105 Cb -0.11 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 2dmm s TYR 105 CO 0.01 -0.15 -0.07 0.12 -1.57 0.00 0.00 175.55 173.88 2dmm s PHE 106 N -3.60 0.79 -0.68 2.71 5.36 0.16 -1.54 117.98 121.19 2dmm s PHE 106 Ca 0.20 -0.18 -0.10 0.00 -0.96 0.00 0.00 56.93 55.88 2dmm s PHE 106 Cb 0.05 -0.57 0.18 0.00 -0.34 0.00 0.00 43.02 42.34 2dmm s PHE 106 CO 0.01 -0.08 0.58 0.45 -1.46 0.00 0.00 175.22 174.72 2dmm s SER 107 N 0.18 6.11 0.59 6.13 0.15 0.15 -2.43 113.70 124.58 2dmm s SER 107 Ca -0.02 -2.50 -0.18 0.00 0.70 0.00 0.00 55.95 53.95 2dmm s SER 107 Cb -0.07 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2dmm s SER 107 CO 0.00 -0.57 1.12 -2.16 1.20 0.00 0.00 173.24 172.83 2dmm s PRO 108 N 0.47 3.14 0.44 5.44 0.04 -1.26 -2.77 135.00 140.50 2dmm s PRO 108 Ca 0.14 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 2dmm s PRO 108 Cb -0.18 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2dmm s PRO 108 CO -0.05 -1.00 1.18 0.00 0.04 0.00 0.00 177.00 177.17 2dmm s ALA 109 N -1.98 3.04 -0.49 8.56 0.00 -1.26 -2.81 121.76 126.83 2dmm s ALA 109 Ca 0.71 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2dmm s ALA 109 Cb -0.23 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2dmm s ALA 109 CO 0.32 -0.64 0.00 0.27 0.00 0.00 0.00 175.76 175.72 2dmm n ASN 110 N -0.29 -1.77 -2.46 0.00 0.23 -1.26 -4.73 115.26 104.98 2dmm n ASN 110 Ca 0.06 0.25 -0.12 0.00 -0.53 0.00 0.00 54.58 54.24 2dmm n ASN 110 Cb 0.47 -1.76 0.03 0.00 -2.08 0.00 0.00 39.78 36.45 2dmm n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2dmm n LYS 111 N -1.98 2.59 0.06 -3.83 5.02 -1.12 -4.87 118.16 114.01 2dmm n LYS 111 Ca -0.06 -3.83 -0.13 0.00 -2.02 0.00 0.00 58.31 52.28 2dmm n LYS 111 Cb 0.36 -1.91 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 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 2.45 -0.13 -0.63 1.97 1.79 -1.85 -3.00 116.57 117.18 2dmm h LYS 112 Ca 0.10 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.71 2dmm h LYS 112 Cb 1.36 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 31.92 2dmm h LYS 112 CO 0.49 0.18 -0.08 1.37 -1.08 0.00 0.00 179.45 180.32 2dmm h LEU 113 N -0.43 -0.44 -7.34 2.94 -0.00 -1.96 -3.29 115.31 104.79 2dmm h LEU 113 Ca -0.01 0.17 -0.64 0.00 -0.00 0.00 0.00 57.88 57.41 2dmm h LEU 113 Cb 0.36 0.34 -0.41 0.00 -0.00 0.00 0.00 40.66 40.95 2dmm h LEU 113 CO 0.02 -0.17 -0.67 0.20 -0.00 0.00 0.00 178.44 177.82 2dmm s ASN 114 N -5.23 4.24 0.38 0.17 -0.87 -1.20 -4.82 114.94 107.61 2dmm s ASN 114 Ca -0.14 -2.77 0.00 0.00 -1.57 0.00 0.00 52.86 48.38 2dmm s ASN 114 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 41.25 39.93 2dmm s ASN 114 CO 0.74 -0.27 0.00 -0.81 -2.57 0.00 0.00 177.10 174.19 2dmm n PRO 115 N 3.42 0.23 -3.75 -0.60 -0.04 -1.14 -4.83 135.00 128.29 2dmm n PRO 115 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2dmm n PRO 115 Cb 0.34 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.67 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 -1.14 0.19 -0.12 0.54 -0.14 -1.02 -4.97 119.74 113.07 2dmm s LYS 116 Ca 0.00 0.43 -0.09 0.00 -1.36 0.00 0.00 55.97 54.95 2dmm s LYS 116 Cb 0.00 -0.08 -0.04 0.00 -1.68 0.00 0.00 37.83 36.03 2dmm s LYS 116 CO 0.00 -0.13 0.19 0.21 -0.76 0.00 0.00 175.35 174.85 2dmm s LYS 117 N 0.96 3.71 -0.53 1.68 2.20 -1.26 0.38 119.74 126.88 2dmm s LYS 117 Ca -0.07 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 2dmm s LYS 117 Cb -0.08 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2dmm s LYS 117 CO -0.06 0.64 1.60 -0.47 -0.36 0.00 0.00 175.35 176.69 2dmm s TYR 118 N -0.66 2.04 -0.40 4.03 6.14 -1.14 -4.89 117.35 122.47 2dmm s TYR 118 Ca 0.15 0.58 0.01 0.00 0.64 0.00 0.00 57.07 58.45 2dmm s TYR 118 Cb -0.13 -4.27 0.11 0.00 0.42 0.00 0.00 41.96 38.10 2dmm s TYR 118 CO 0.04 -2.24 0.15 -1.21 0.64 0.00 0.00 175.55 172.93 2dmm s GLU 119 N 5.92 1.79 0.00 4.97 0.41 -1.26 -4.76 118.70 125.77 2dmm s GLU 119 Ca 0.61 -1.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 2dmm s GLU 119 Cb -0.13 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 2dmm s GLU 119 CO 0.25 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.41 2dmm n GLY 120 N 4.22 0.94 3.72 -1.39 0.00 -1.26 -5.13 105.19 106.28 2dmm n GLY 120 Ca 0.02 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 2.64 0.00 -0.02 0.00 -1.26 -4.94 107.32 103.74 2dmm s GLY 121 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.83 2dmm s GLY 121 CO 0.00 1.15 2.84 0.54 0.00 0.00 0.00 173.10 177.63 2dmm n ARG 122 N 3.62 1.52 -4.25 2.90 1.74 -1.26 -4.50 116.66 116.43 2dmm n ARG 122 Ca -0.02 -0.54 -0.34 0.00 -0.77 0.00 0.00 57.85 56.18 2dmm n ARG 122 Cb 0.51 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.59 3.59 0.22 5.56 2.56 -1.26 -4.98 118.70 124.98 2dmm s GLU 123 Ca 0.36 -0.42 -0.12 0.00 0.00 0.00 0.00 54.97 54.79 2dmm s GLU 123 Cb 0.17 -2.99 0.28 0.00 2.00 0.00 0.00 34.13 33.59 2dmm s GLU 123 CO 0.00 0.39 1.35 -0.11 -0.56 0.00 0.00 175.26 176.33 2dmm n LEU 124 N 3.13 -0.47 -0.22 2.70 -0.00 -1.26 0.13 117.00 121.00 2dmm n LEU 124 Ca -0.17 1.51 -0.06 0.00 -0.00 0.00 0.00 56.01 57.28 2dmm n LEU 124 Cb 0.53 -0.39 0.04 0.00 -0.00 0.00 0.00 43.42 43.60 2dmm n LEU 124 CO 0.33 -1.39 1.07 0.28 -0.00 0.00 0.00 177.39 177.67 2dmm h SER 125 N 0.00 0.79 -0.88 1.96 0.02 -1.94 -2.56 113.55 110.94 2dmm h SER 125 Ca 0.35 -0.10 0.16 0.00 -0.84 0.00 0.00 61.79 61.36 2dmm h SER 125 Cb 0.56 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 2dmm h SER 125 CO -0.88 0.66 0.46 -0.78 -1.14 0.00 0.00 176.83 175.16 2dmm h ASP 126 N 0.86 0.56 -0.76 3.07 1.82 0.76 0.03 116.42 122.76 2dmm h ASP 126 Ca 0.22 0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.91 2dmm h ASP 126 Cb 0.05 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 2dmm h ASP 126 CO -0.03 0.22 0.31 -0.26 -1.61 0.00 0.00 179.24 177.86 2dmm h PHE 127 N 0.64 1.15 0.84 0.28 0.04 -0.85 -0.96 116.94 118.07 2dmm h PHE 127 Ca 0.49 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 61.13 2dmm h PHE 127 Cb 0.72 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.53 2dmm h PHE 127 CO -0.08 0.88 -0.40 0.82 -0.60 0.00 0.00 178.31 178.93 2dmm h ILE 128 N 1.10 0.00 -0.54 -0.55 2.04 -0.84 -2.34 117.51 116.38 2dmm h ILE 128 Ca 0.25 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 66.21 2dmm h ILE 128 Cb 0.21 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 2dmm h ILE 128 CO -0.02 0.00 0.37 -1.28 0.00 0.00 0.00 178.15 177.21 2dmm h SER 129 N -1.13 0.26 0.67 1.72 0.87 -1.37 -0.63 113.55 113.94 2dmm h SER 129 Ca -0.11 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2dmm h SER 129 Cb 0.86 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2dmm h SER 129 CO 0.19 0.15 -0.43 0.22 -0.53 0.00 0.00 176.83 176.43 2dmm h TYR 130 N 0.29 -1.14 -0.63 2.24 5.03 -0.91 -2.95 116.97 118.90 2dmm h TYR 130 Ca 0.25 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.47 2dmm h TYR 130 Cb 0.60 0.41 -0.03 0.00 1.55 0.00 0.00 36.73 39.27 2dmm h TYR 130 CO -0.00 -0.64 0.10 -0.07 -1.32 0.00 0.00 178.16 176.23 2dmm h LEU 131 N -1.04 0.99 -0.99 2.82 3.38 -1.01 0.30 115.31 119.75 2dmm h LEU 131 Ca -0.08 -0.23 0.37 0.00 0.09 0.00 0.00 57.88 58.03 2dmm h LEU 131 Cb 0.85 -0.26 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 2dmm h LEU 131 CO 0.07 0.99 0.48 1.56 0.09 0.00 0.00 178.44 181.63 2dmm h GLN 132 N 0.97 0.08 0.00 1.13 4.20 -0.95 0.83 115.11 121.36 2dmm h GLN 132 Ca 0.19 -0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.57 2dmm h GLN 132 Cb 0.43 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 2dmm h GLN 132 CO 0.01 0.05 -2.25 2.89 -0.67 0.00 0.00 178.83 178.86 2dmm n ARG 133 N -5.24 0.67 0.30 1.46 1.85 -1.10 -4.65 116.66 109.95 2dmm n ARG 133 Ca 0.34 0.10 -0.12 0.00 -1.00 0.00 0.00 57.85 57.17 2dmm n ARG 133 Cb 1.14 -1.44 -0.06 0.00 -1.05 0.00 0.00 32.46 31.05 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dmm h GLU 134 N 0.00 -0.78 -6.16 2.89 4.39 0.53 -3.44 114.58 112.00 2dmm h GLU 134 Ca -0.49 0.05 -0.71 0.00 0.34 0.00 0.00 59.36 58.55 2dmm h GLU 134 Cb 1.83 0.18 0.07 0.00 -0.10 0.00 0.00 28.75 30.72 2dmm h GLU 134 CO -0.06 -0.52 0.15 0.00 -1.16 0.00 0.00 179.01 177.43 2dmm n ALA 135 N -2.65 -2.08 -0.53 3.43 0.00 0.28 -4.91 120.51 114.06 2dmm n ALA 135 Ca -0.10 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2dmm n ALA 135 Cb 0.32 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 1.60 0.00 -0.02 0.00 -2.24 -1.26 -3.67 114.28 108.68 2dmm n THR 136 Ca 0.18 1.24 -0.12 0.00 -2.27 0.00 0.00 64.05 63.08 2dmm n THR 136 Cb 0.17 -2.17 -0.05 0.00 -2.10 0.00 0.00 70.33 66.18 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 -1.28 -4.93 3.42 0.87 -1.96 -3.49 113.55 106.19 2dmm h SER 137 Ca 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2dmm h SER 137 Cb 0.00 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2dmm h SER 137 CO 0.00 -0.41 0.00 0.61 -0.53 0.00 0.00 176.83 176.50 2dmm n GLY 138 N -1.43 -4.16 0.00 5.77 0.00 -1.24 -4.47 105.19 99.66 2dmm n GLY 138 Ca -0.03 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 43.99 2dmm n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmm n PRO 139 N -0.07 0.46 -1.63 1.61 -0.04 -1.26 -4.84 135.00 129.22 2dmm n PRO 139 Ca 0.00 0.01 -0.55 0.00 -0.04 0.00 0.00 63.50 62.93 2dmm n PRO 139 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2dmm n PRO 139 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmm n SER 140 N -1.03 1.81 -3.99 3.54 3.41 -1.26 -4.96 113.62 111.14 2dmm n SER 140 Ca 0.11 1.11 -0.18 0.00 -0.26 0.00 0.00 58.87 59.65 2dmm n SER 140 Cb 0.06 -1.16 -0.15 0.00 -0.26 0.00 0.00 64.21 62.71 2dmm n SER 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmm s SER 141 N 1.55 0.89 0.00 4.04 0.01 -1.26 -4.96 113.70 113.96 2dmm s SER 141 Ca 0.90 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2dmm s SER 141 Cb -1.02 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2dmm s SER 141 CO 0.54 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.88