#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 -0.45 -0.21 1.61 0.15 -1.26 -5.09 113.70 108.46 2dmm s SER 2 Ca 0.00 0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.61 2dmm s SER 2 Cb 0.00 0.51 -0.08 0.00 -1.71 0.00 0.00 66.02 64.74 2dmm s SER 2 CO 0.00 -0.76 -0.35 -0.24 1.20 0.00 0.00 173.24 173.09 2dmm n SER 3 N 0.27 1.95 -1.85 5.45 2.88 -1.26 -5.11 113.62 115.94 2dmm n SER 3 Ca -0.18 0.33 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 2dmm n SER 3 Cb 0.61 -0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 63.29 2dmm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmm n GLY 4 N 1.40 -3.68 3.60 0.46 0.00 -1.26 -5.11 105.19 100.60 2dmm n GLY 4 Ca -0.26 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.24 0.12 0.11 1.61 0.01 -1.26 -5.10 113.70 108.95 2dmm s SER 5 Ca -0.09 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2dmm s SER 5 Cb 0.01 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2dmm s SER 5 CO 0.26 -1.24 0.00 -0.24 0.41 0.00 0.00 173.24 172.42 2dmm n SER 6 N -0.71 0.28 0.00 2.44 2.88 -1.26 -5.15 113.62 112.11 2dmm n SER 6 Ca -0.02 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2dmm n SER 6 Cb 0.61 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2dmm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmm n GLY 7 N 2.44 -1.63 3.81 0.46 0.00 -1.26 -5.16 105.19 103.85 2dmm n GLY 7 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 46.02 46.58 2dmm n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmm s PHE 8 N 0.00 2.83 -0.30 1.61 0.08 -1.26 -5.13 117.98 115.82 2dmm s PHE 8 Ca 0.00 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.54 2dmm s PHE 8 Cb 0.00 -1.75 0.18 0.00 -0.57 0.00 0.00 43.02 40.88 2dmm s PHE 8 CO 0.00 0.23 1.15 0.16 -0.10 0.00 0.00 175.22 176.67 2dmm s ASP 9 N -3.95 -0.30 -0.36 1.36 1.47 -1.26 -4.96 116.67 108.67 2dmm s ASP 9 Ca 0.40 0.40 -0.02 0.00 1.18 0.00 0.00 52.55 54.51 2dmm s ASP 9 Cb -0.05 1.34 0.25 0.00 -0.34 0.00 0.00 42.92 44.12 2dmm s ASP 9 CO 0.25 -0.06 1.13 0.61 0.68 0.00 0.00 175.17 177.79 2dmm n GLY 10 N 4.76 -1.43 2.16 2.12 0.00 -1.26 -5.00 105.19 106.54 2dmm n GLY 10 Ca -0.08 0.92 -0.07 0.00 0.00 0.00 0.00 46.02 46.80 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 1.85 -2.84 -4.60 1.61 2.85 -1.26 -4.93 115.26 107.94 2dmm n ASN 11 Ca 0.06 -0.29 -0.43 0.00 -0.11 0.00 0.00 54.58 53.81 2dmm n ASN 11 Cb 0.68 -2.58 -0.03 0.00 1.24 0.00 0.00 39.78 39.09 2dmm n ASN 11 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2dmm s LEU 12 N -3.99 3.51 0.06 1.20 2.96 -1.26 -4.96 118.68 116.20 2dmm s LEU 12 Ca 0.08 1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 55.14 2dmm s LEU 12 Cb -0.01 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2dmm s LEU 12 CO 0.33 -1.70 0.12 -1.59 -1.32 0.00 0.00 176.35 172.19 2dmm s LYS 13 N 5.62 0.70 -0.30 1.98 0.00 -1.26 -4.90 119.74 121.58 2dmm s LYS 13 Ca 0.77 -0.91 -0.17 0.00 0.00 0.00 0.00 55.97 55.65 2dmm s LYS 13 Cb -0.21 0.28 0.18 0.00 0.00 0.00 0.00 37.83 38.08 2dmm s LYS 13 CO 0.33 -0.19 1.15 0.50 0.00 0.00 0.00 175.35 177.14 2dmm s ARG 14 N -3.36 0.15 0.28 1.78 6.06 -1.26 -4.99 118.95 117.61 2dmm s ARG 14 Ca 0.01 0.36 -0.20 0.00 -2.50 0.00 0.00 55.73 53.41 2dmm s ARG 14 Cb 0.03 0.22 0.05 0.00 0.06 0.00 0.00 34.95 35.31 2dmm s ARG 14 CO -0.08 -0.06 0.84 1.52 -2.50 0.00 0.00 175.30 175.02 2dmm s TYR 15 N 2.31 -0.02 0.00 5.12 1.13 -1.26 -3.87 117.35 120.76 2dmm s TYR 15 Ca -0.01 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2dmm s TYR 15 Cb -0.04 0.75 0.00 0.00 -1.10 0.00 0.00 41.96 41.57 2dmm s TYR 15 CO -0.16 -1.24 0.00 1.47 -2.51 0.00 0.00 175.55 173.11 2dmm n LEU 16 N -0.53 1.19 -4.67 -3.49 -0.00 -1.26 -5.05 117.00 103.20 2dmm n LEU 16 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.58 2dmm n LEU 16 Cb 0.60 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.93 2dmm n LEU 16 CO 0.20 0.19 -0.04 -0.75 -0.00 0.00 0.00 177.39 177.00 2dmm s LYS 17 N -1.42 4.13 0.05 1.47 2.36 -1.26 -4.93 119.74 120.13 2dmm s LYS 17 Ca 0.00 -0.03 -0.03 0.00 -2.55 0.00 0.00 55.97 53.36 2dmm s LYS 17 Cb 0.00 -3.54 -0.02 0.00 -1.05 0.00 0.00 37.83 33.22 2dmm s LYS 17 CO 0.00 0.01 0.04 -1.12 1.55 0.00 0.00 175.35 175.83 2dmm s SER 18 N 1.04 0.30 0.28 1.43 0.01 -1.26 0.78 113.70 116.28 2dmm s SER 18 Ca 0.13 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.74 2dmm s SER 18 Cb -0.14 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2dmm s SER 18 CO 0.06 -0.54 0.23 -1.61 0.41 0.00 0.00 173.24 171.79 2dmm s GLU 19 N -3.10 2.85 0.39 12.44 0.41 -1.23 -4.90 118.70 125.57 2dmm s GLU 19 Ca -0.01 -1.14 -0.26 0.00 -0.41 0.00 0.00 54.97 53.16 2dmm s GLU 19 Cb 0.02 -2.53 -0.09 0.00 -1.78 0.00 0.00 34.13 29.75 2dmm s GLU 19 CO -0.07 0.30 1.19 -1.25 -0.49 0.00 0.00 175.26 174.94 2dmm s PRO 20 N -3.89 4.09 0.07 0.39 0.04 -1.26 -4.46 135.00 129.98 2dmm s PRO 20 Ca 0.36 1.90 -0.31 0.00 0.04 0.00 0.00 61.00 62.99 2dmm s PRO 20 Cb -0.07 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 2dmm s PRO 20 CO 0.25 -0.31 1.44 0.42 0.04 0.00 0.00 177.00 178.85 2dmm s ILE 21 N -1.37 3.38 0.33 0.56 -1.09 -1.26 -4.98 121.20 116.78 2dmm s ILE 21 Ca 0.56 0.90 -0.28 0.00 -2.23 0.00 0.00 60.65 59.60 2dmm s ILE 21 Cb -0.32 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 36.88 2dmm s ILE 21 CO 0.41 0.03 1.22 -2.16 -1.23 0.00 0.00 174.94 173.21 2dmm s PRO 22 N 1.82 4.36 0.24 2.79 0.04 -1.26 -4.94 135.00 138.05 2dmm s PRO 22 Ca 0.66 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.66 2dmm s PRO 22 Cb -0.36 -3.01 0.25 0.00 0.04 0.00 0.00 34.50 31.43 2dmm s PRO 22 CO 0.29 -0.11 1.83 1.05 0.04 0.00 0.00 177.00 180.10 2dmm h GLU 23 N 3.32 1.13 -2.68 4.56 4.11 -2.05 -3.42 114.58 119.55 2dmm h GLU 23 Ca -0.48 -0.18 -0.14 0.00 0.07 0.00 0.00 59.36 58.63 2dmm h GLU 23 Cb 1.22 -0.20 -0.29 0.00 0.50 0.00 0.00 28.75 29.99 2dmm h GLU 23 CO 0.65 0.89 -0.40 -1.12 0.07 0.00 0.00 179.01 179.09 2dmm s SER 24 N -6.37 -0.16 -0.32 3.06 0.01 -1.26 -5.05 113.70 103.61 2dmm s SER 24 Ca -0.12 0.82 0.15 0.00 1.31 0.00 0.00 55.95 58.12 2dmm s SER 24 Cb 0.16 0.96 0.47 0.00 0.21 0.00 0.00 66.02 67.82 2dmm s SER 24 CO 0.82 -0.22 1.06 -0.46 0.41 0.00 0.00 173.24 174.86 2dmm n ASN 25 N 5.01 2.63 -2.66 2.44 0.23 -1.26 -4.94 115.26 116.71 2dmm n ASN 25 Ca -0.13 -2.88 -0.26 0.00 -0.53 0.00 0.00 54.58 50.78 2dmm n ASN 25 Cb 0.51 -0.48 -0.09 0.00 -2.08 0.00 0.00 39.78 37.65 2dmm n ASN 25 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2dmm n ASP 26 N -0.38 6.84 -0.02 0.53 8.00 -1.26 -4.56 116.55 125.70 2dmm n ASP 26 Ca 0.20 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.96 2dmm n ASP 26 Cb 0.80 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2dmm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmm n GLY 27 N 2.37 3.44 0.23 0.44 0.00 -1.26 -5.04 105.19 105.38 2dmm n GLY 27 Ca 0.57 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.80 -4.81 1.61 0.13 -1.89 -3.41 132.00 124.43 2dmm h PRO 28 Ca 0.00 -0.42 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 2dmm h PRO 28 Cb 0.00 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 30.77 2dmm h PRO 28 CO 0.00 1.05 -0.77 0.08 -0.23 0.00 0.00 178.00 178.14 2dmm s VAL 29 N -4.38 2.27 0.00 1.56 1.01 -1.26 -3.41 120.40 116.20 2dmm s VAL 29 Ca -0.12 -1.82 -0.35 0.00 0.00 0.00 0.00 61.98 59.69 2dmm s VAL 29 Cb 0.10 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.91 2dmm s VAL 29 CO 0.85 -0.20 1.69 0.29 0.00 0.00 0.00 175.10 177.73 2dmm n LYS 30 N 4.40 1.92 -2.46 2.72 4.76 -1.00 -4.53 118.16 123.96 2dmm n LYS 30 Ca -0.09 0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 55.62 2dmm n LYS 30 Cb 0.42 -2.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.11 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 2.40 4.24 -0.18 -0.18 1.01 -1.26 -1.04 120.40 125.39 2dmm s VAL 31 Ca 0.87 1.58 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2dmm s VAL 31 Cb -0.77 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 31.62 2dmm s VAL 31 CO 0.48 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 2dmm s VAL 32 N 2.00 2.30 0.04 2.92 1.01 0.79 -4.91 120.40 124.55 2dmm s VAL 32 Ca 0.56 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2dmm s VAL 32 Cb -0.25 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2dmm s VAL 32 CO 0.23 0.52 -0.12 0.68 0.00 0.00 0.00 175.10 176.41 2dmm s VAL 33 N 1.29 3.24 0.33 2.92 -7.23 -1.26 -4.18 120.40 115.51 2dmm s VAL 33 Ca 0.04 -1.04 0.21 0.00 -1.81 0.00 0.00 61.98 59.39 2dmm s VAL 33 Cb -0.13 -2.41 0.34 0.00 0.56 0.00 0.00 36.38 34.73 2dmm s VAL 33 CO -0.11 0.32 1.29 0.00 -0.31 0.00 0.00 175.10 176.29 2dmm n ALA 34 N 1.39 0.96 -0.10 1.32 0.00 -1.26 0.19 120.51 123.00 2dmm n ALA 34 Ca -0.15 0.79 -0.08 0.00 0.00 0.00 0.00 53.44 54.00 2dmm n ALA 34 Cb 0.52 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.42 -0.32 0.00 5.08 -1.91 -2.91 114.58 114.95 2dmm h GLU 35 Ca 0.71 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.94 2dmm h GLU 35 Cb 2.05 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 31.14 2dmm h GLU 35 CO -0.53 0.28 -0.01 0.27 -1.00 0.00 0.00 179.01 178.01 2dmm n ASN 36 N -4.88 3.16 0.36 1.42 6.94 0.50 -4.72 115.26 118.05 2dmm n ASN 36 Ca -0.00 -3.40 -0.16 0.00 -0.02 0.00 0.00 54.58 51.00 2dmm n ASN 36 Cb 0.04 -0.59 -0.08 0.00 -2.36 0.00 0.00 39.78 36.79 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 1.33 -0.85 0.00 -2.53 3.04 0.14 -1.70 116.94 116.36 2dmm h PHE 37 Ca 0.13 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2dmm h PHE 37 Cb 1.58 0.28 0.00 0.00 2.56 0.00 0.00 35.95 40.37 2dmm h PHE 37 CO 0.77 -0.49 0.00 -0.40 -2.02 0.00 0.00 178.31 176.16 2dmm n ASP 38 N -5.42 0.00 -0.01 0.41 5.75 -1.26 -0.39 116.55 115.62 2dmm n ASP 38 Ca -0.13 0.33 -0.21 0.00 -0.01 0.00 0.00 54.79 54.76 2dmm n ASP 38 Cb 0.38 -0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.21 0.00 0.11 4.57 -1.67 -3.35 114.58 114.45 2dmm h GLU 39 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2dmm h GLU 39 Cb 0.10 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2dmm h GLU 39 CO 0.00 1.17 -0.70 -0.89 -1.18 0.00 0.00 179.01 177.41 2dmm n ILE 40 N -3.95 1.14 -0.02 2.32 5.41 -0.68 -4.69 119.36 118.89 2dmm n ILE 40 Ca -0.26 0.23 -0.12 0.00 1.00 0.00 0.00 62.75 63.60 2dmm n ILE 40 Cb 0.88 -2.16 -0.08 0.00 -0.71 0.00 0.00 39.64 37.57 2dmm n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dmm h VAL 41 N -0.77 0.00 -3.02 1.39 2.07 -0.93 -3.39 116.25 111.59 2dmm h VAL 41 Ca 0.00 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.98 2dmm h VAL 41 Cb 0.70 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2dmm h VAL 41 CO 0.00 0.00 0.73 0.20 0.02 0.00 0.00 177.57 178.52 2dmm s ASN 42 N -4.42 6.95 -0.30 0.57 0.01 -1.13 -4.74 114.94 111.88 2dmm s ASN 42 Ca -0.12 2.02 -0.12 0.00 -0.71 0.00 0.00 52.86 53.93 2dmm s ASN 42 Cb 0.06 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.33 2dmm s ASN 42 CO 0.49 -0.62 1.03 0.21 -1.51 0.00 0.00 177.10 176.69 2dmm s ASN 43 N 1.53 -0.51 -0.17 -1.22 3.84 -1.26 -4.49 114.94 112.67 2dmm s ASN 43 Ca 0.60 0.27 0.02 0.00 0.21 0.00 0.00 52.86 53.97 2dmm s ASN 43 Cb -0.29 1.41 0.26 0.00 -0.55 0.00 0.00 41.25 42.07 2dmm s ASN 43 CO 0.26 -0.09 1.33 -0.62 -2.79 0.00 0.00 177.10 175.18 2dmm n GLU 44 N 5.42 1.53 0.00 0.43 1.02 -1.26 -3.79 120.64 124.00 2dmm n GLU 44 Ca -0.04 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 2dmm n GLU 44 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2dmm n GLU 44 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dmm n ASN 45 N -0.11 2.65 -3.86 1.62 4.13 -1.26 -4.63 115.26 113.81 2dmm n ASN 45 Ca 0.22 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.30 2dmm n ASN 45 Cb 0.93 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 39.01 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2dmm s LYS 46 N -1.83 0.53 0.67 3.52 0.00 -1.25 -5.09 119.74 116.29 2dmm s LYS 46 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 55.97 55.79 2dmm s LYS 46 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 37.83 37.17 2dmm s LYS 46 CO 0.00 -0.10 0.78 -0.25 0.00 0.00 0.00 175.35 175.78 2dmm n ASP 47 N 4.05 -0.13 -3.85 0.03 9.92 -1.09 -4.74 116.55 120.74 2dmm n ASP 47 Ca -0.26 0.69 -0.11 0.00 -0.53 0.00 0.00 54.79 54.58 2dmm n ASP 47 Cb 0.51 -1.32 -0.09 0.00 -0.64 0.00 0.00 41.12 39.58 2dmm n ASP 47 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dmm s VAL 48 N -1.75 0.09 -0.11 2.53 1.01 -1.08 -2.74 120.40 118.36 2dmm s VAL 48 Ca 0.71 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2dmm s VAL 48 Cb -0.38 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.30 2dmm s VAL 48 CO 0.52 -0.43 -0.17 -0.22 0.00 0.00 0.00 175.10 174.80 2dmm s LEU 49 N -1.76 1.81 -0.13 3.92 2.96 -0.93 -1.02 118.68 123.53 2dmm s LEU 49 Ca -0.09 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2dmm s LEU 49 Cb -0.04 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 2dmm s LEU 49 CO -0.01 0.04 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.42 2dmm s ILE 50 N 0.87 3.05 -0.20 6.68 1.10 -0.50 -0.89 121.20 131.31 2dmm s ILE 50 Ca -0.08 -0.66 0.01 0.00 -0.51 0.00 0.00 60.65 59.41 2dmm s ILE 50 Cb -0.15 -2.28 0.04 0.00 0.15 0.00 0.00 42.46 40.22 2dmm s ILE 50 CO -0.00 0.52 -0.11 -0.70 -2.11 0.00 0.00 174.94 172.54 2dmm s GLU 51 N 0.41 2.07 0.02 3.50 -6.30 -1.11 -0.38 118.70 116.92 2dmm s GLU 51 Ca -0.10 -0.89 -0.24 0.00 -2.50 0.00 0.00 54.97 51.24 2dmm s GLU 51 Cb -0.16 -2.46 -0.05 0.00 0.00 0.00 0.00 34.13 31.46 2dmm s GLU 51 CO 0.05 -0.43 0.74 -0.06 0.02 0.00 0.00 175.26 175.58 2dmm s PHE 52 N 1.37 3.70 0.20 5.30 0.08 -0.38 -2.40 117.98 125.85 2dmm s PHE 52 Ca -0.02 1.41 -0.04 0.00 0.12 0.00 0.00 56.93 58.41 2dmm s PHE 52 Cb -0.16 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2dmm s PHE 52 CO -0.08 0.25 0.21 1.52 -0.10 0.00 0.00 175.22 177.01 2dmm s TYR 53 N 0.08 0.91 -0.06 0.36 -0.85 -1.17 -3.01 117.35 113.60 2dmm s TYR 53 Ca 0.38 -1.18 0.03 0.00 -0.52 0.00 0.00 57.07 55.77 2dmm s TYR 53 Cb -0.20 -0.36 0.01 0.00 0.38 0.00 0.00 41.96 41.79 2dmm s TYR 53 CO 0.22 -0.71 -0.15 0.00 -1.52 0.00 0.00 175.55 173.39 2dmm s ALA 54 N -4.10 1.43 -0.99 9.51 0.00 -1.26 -3.61 121.76 122.73 2dmm s ALA 54 Ca 0.32 -0.55 0.14 0.00 0.00 0.00 0.00 51.96 51.88 2dmm s ALA 54 Cb 0.05 -0.58 0.62 0.00 0.00 0.00 0.00 23.12 23.21 2dmm s ALA 54 CO 0.09 0.18 1.46 -0.35 0.00 0.00 0.00 175.76 177.14 2dmm n PRO 55 N 3.60 0.01 -0.04 0.00 -0.04 -1.26 -2.08 135.00 135.19 2dmm n PRO 55 Ca -0.21 0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2dmm n PRO 55 Cb 0.52 -1.51 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.52 0.11 -3.79 0.54 4.27 -1.26 -4.98 117.44 110.81 2dmm n TRP 56 Ca 0.03 -0.26 -0.36 0.00 -3.89 0.00 0.00 57.50 53.03 2dmm n TRP 56 Cb 0.17 -0.02 -0.10 0.00 -1.36 0.00 0.00 31.31 30.00 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 7.19 -0.97 -0.76 0.00 0.00 -1.94 -0.50 103.07 106.09 2dmm h GLY 58 Ca -0.38 0.36 0.26 0.00 0.00 0.00 0.00 47.33 47.57 2dmm h GLY 58 CO 0.68 -0.35 0.12 0.45 0.00 0.00 0.00 176.54 177.43 2dmm h HIS 59 N -1.19 0.12 -0.24 5.60 3.86 -1.95 0.41 115.15 121.76 2dmm h HIS 59 Ca -0.09 0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 2dmm h HIS 59 Cb 0.73 0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 2dmm h HIS 59 CO 0.00 -0.36 -0.25 0.00 0.86 0.00 0.00 177.93 178.19 2dmm h LYS 61 N 0.30 0.61 0.00 0.00 1.79 0.14 0.32 116.57 119.74 2dmm h LYS 61 Ca 0.04 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2dmm h LYS 61 Cb 0.80 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2dmm h LYS 61 CO 0.06 0.41 -0.72 -0.97 -1.08 0.00 0.00 179.45 177.14 2dmm h ASN 62 N 0.63 0.00 1.61 0.86 -0.73 -0.84 -3.08 115.58 114.03 2dmm h ASN 62 Ca 0.36 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.51 2dmm h ASN 62 Cb 0.55 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.14 2dmm h ASN 62 CO -0.14 0.72 -0.39 0.25 -0.37 0.00 0.00 177.43 177.50 2dmm h LEU 63 N 0.00 0.00 -0.90 0.34 5.85 -0.62 -3.37 115.31 116.61 2dmm h LEU 63 Ca -0.01 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.82 2dmm h LEU 63 Cb 1.29 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.19 2dmm h LEU 63 CO 0.09 0.09 -0.50 -0.08 -0.34 0.00 0.00 178.44 177.70 2dmm h GLU 64 N 0.00 -0.06 0.00 1.25 4.81 -0.38 0.56 114.58 120.77 2dmm h GLU 64 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2dmm h GLU 64 Cb 1.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2dmm h GLU 64 CO 0.01 -0.04 -0.37 -1.00 -0.73 0.00 0.00 179.01 176.88 2dmm h PRO 65 N -0.06 0.00 -0.02 0.92 0.13 -1.76 0.29 132.00 131.51 2dmm h PRO 65 Ca 0.22 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.22 2dmm h PRO 65 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2dmm h PRO 65 CO -0.90 0.37 -0.60 0.87 -0.23 0.00 0.00 178.00 177.52 2dmm h LYS 66 N 0.00 0.06 0.08 0.86 1.79 -0.42 -3.20 116.57 115.74 2dmm h LYS 66 Ca -0.00 -0.04 -0.35 0.00 -2.18 0.00 0.00 60.65 58.08 2dmm h LYS 66 Cb 0.77 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 2dmm h LYS 66 CO 0.05 0.64 -1.96 0.98 -1.08 0.00 0.00 179.45 178.08 2dmm n TYR 67 N -3.84 1.10 -0.14 -1.35 9.36 0.15 -4.33 117.16 118.11 2dmm n TYR 67 Ca -0.01 0.27 -0.07 0.00 3.32 0.00 0.00 57.90 61.41 2dmm n TYR 67 Cb 0.60 -1.16 -0.01 0.00 -0.63 0.00 0.00 39.34 38.14 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 -0.22 -0.73 2.98 3.64 -0.98 -1.67 116.57 119.64 2dmm h LYS 68 Ca -0.40 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.10 2dmm h LYS 68 Cb 2.03 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 33.78 2dmm h LYS 68 CO 0.08 -0.15 -0.43 0.93 -2.27 0.00 0.00 179.45 177.61 2dmm h GLU 69 N -0.23 -0.14 -1.11 1.90 5.08 -1.74 0.48 114.58 118.83 2dmm h GLU 69 Ca 0.19 0.01 0.38 0.00 -1.00 0.00 0.00 59.36 58.94 2dmm h GLU 69 Cb 0.54 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.67 2dmm h GLU 69 CO -0.58 -0.09 0.66 1.25 -1.00 0.00 0.00 179.01 179.25 2dmm h LEU 70 N -0.14 0.38 0.46 1.33 5.85 -1.50 0.41 115.31 122.09 2dmm h LEU 70 Ca 0.22 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 2dmm h LEU 70 Cb 0.55 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2dmm h LEU 70 CO -0.79 -0.21 -0.22 1.23 -0.34 0.00 0.00 178.44 178.11 2dmm h GLY 71 N 0.17 -0.65 2.00 3.75 0.00 0.05 -0.10 103.07 108.29 2dmm h GLY 71 Ca 0.78 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 48.35 2dmm h GLY 71 CO -0.57 -0.24 -0.03 1.05 0.00 0.00 0.00 176.54 176.76 2dmm h GLU 72 N -0.65 0.00 -0.18 4.80 4.11 -1.14 -1.01 114.58 120.51 2dmm h GLU 72 Ca -0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 2dmm h GLU 72 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2dmm h GLU 72 CO 0.10 0.03 -0.07 0.87 0.07 0.00 0.00 179.01 180.02 2dmm h LYS 73 N 0.00 0.36 -0.06 1.06 1.79 -0.11 -2.83 116.57 116.78 2dmm h LYS 73 Ca -0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2dmm h LYS 73 Cb 0.07 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2dmm h LYS 73 CO 0.00 0.65 0.00 1.28 -1.08 0.00 0.00 179.45 180.30 2dmm n LEU 74 N -4.62 0.78 0.05 2.94 4.77 -0.06 -4.07 117.00 116.78 2dmm n LEU 74 Ca -0.05 -0.31 0.21 0.00 -0.03 0.00 0.00 56.01 55.83 2dmm n LEU 74 Cb 0.29 -0.04 0.63 0.00 -2.33 0.00 0.00 43.42 41.98 2dmm n LEU 74 CO 0.38 0.15 1.19 -1.28 -1.33 0.00 0.00 177.39 176.50 2dmm h SER 75 N 1.09 0.00 -0.51 -1.43 0.87 -0.94 1.19 113.55 113.82 2dmm h SER 75 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2dmm h SER 75 Cb 0.24 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.11 2dmm h SER 75 CO 0.00 0.00 0.19 0.29 -0.53 0.00 0.00 176.83 176.78 2dmm n LYS 76 N -3.40 2.90 -3.47 2.24 5.02 -1.26 -4.79 118.16 115.41 2dmm n LYS 76 Ca 0.10 -2.11 -0.43 0.00 -2.02 0.00 0.00 58.31 53.86 2dmm n LYS 76 Cb 0.87 -1.93 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 2dmm n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dmm s ASP 77 N -0.54 5.96 0.00 4.39 1.11 0.41 -4.91 116.67 123.08 2dmm s ASP 77 Ca 0.38 -2.09 0.15 0.00 0.18 0.00 0.00 52.55 51.18 2dmm s ASP 77 Cb 0.30 -2.08 0.86 0.00 1.07 0.00 0.00 42.92 43.07 2dmm s ASP 77 CO 0.09 -0.69 1.37 -0.81 1.18 0.00 0.00 175.17 176.31 2dmm n PRO 78 N 4.73 0.38 -0.02 8.23 -0.04 -1.26 -3.22 135.00 143.80 2dmm n PRO 78 Ca -0.05 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 2dmm n PRO 78 Cb 0.41 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.11 2.75 -4.86 3.54 3.02 -1.26 -5.04 115.26 112.30 2dmm n ASN 79 Ca 0.10 -0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.30 2dmm n ASN 79 Cb 0.08 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 5.01 -0.21 2.41 1.01 -1.20 -2.69 121.20 123.47 2dmm s ILE 80 Ca -0.05 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 2dmm s ILE 80 Cb 0.01 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.88 2dmm s ILE 80 CO 0.07 0.27 0.09 -0.69 0.00 0.00 0.00 174.94 174.69 2dmm s VAL 81 N -1.42 0.03 0.17 2.92 1.01 -1.11 -4.58 120.40 117.42 2dmm s VAL 81 Ca 0.35 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2dmm s VAL 81 Cb -0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 2dmm s VAL 81 CO 0.18 -0.41 1.06 -0.63 0.00 0.00 0.00 175.10 175.30 2dmm s ILE 82 N 2.07 4.03 0.21 2.22 -1.09 -1.26 -2.19 121.20 125.19 2dmm s ILE 82 Ca 0.04 1.75 -0.07 0.00 -2.23 0.00 0.00 60.65 60.14 2dmm s ILE 82 Cb -0.16 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2dmm s ILE 82 CO -0.17 0.30 0.28 0.00 -1.23 0.00 0.00 174.94 174.12 2dmm s ALA 83 N -0.24 0.45 0.01 9.38 0.00 -0.07 -2.36 121.76 128.92 2dmm s ALA 83 Ca 0.48 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2dmm s ALA 83 Cb -0.28 1.17 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 2dmm s ALA 83 CO 0.33 -0.70 0.09 -1.59 0.00 0.00 0.00 175.76 173.90 2dmm s LYS 84 N -4.07 0.42 -0.06 0.00 -2.85 -0.21 -2.77 119.74 110.20 2dmm s LYS 84 Ca 0.29 -0.43 -0.05 0.00 -1.00 0.00 0.00 55.97 54.78 2dmm s LYS 84 Cb 0.04 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.99 2dmm s LYS 84 CO 0.09 -0.09 0.15 1.41 0.10 0.00 0.00 175.35 177.00 2dmm s MET 85 N -1.34 0.16 -0.52 1.78 1.75 -1.01 -0.15 119.30 119.97 2dmm s MET 85 Ca -0.14 0.23 -0.24 0.00 -1.25 0.00 0.00 55.69 54.29 2dmm s MET 85 Cb -0.08 0.04 0.04 0.00 2.84 0.00 0.00 34.83 37.67 2dmm s MET 85 CO 0.01 -0.04 0.90 -0.51 -0.65 0.00 0.00 175.02 174.73 2dmm s ASP 86 N 0.25 6.37 0.10 1.11 1.01 -1.26 -3.06 116.67 121.18 2dmm s ASP 86 Ca -0.01 -0.28 -0.24 0.00 0.71 0.00 0.00 52.55 52.73 2dmm s ASP 86 Cb -0.03 -2.42 -0.10 0.00 1.01 0.00 0.00 42.92 41.38 2dmm s ASP 86 CO -0.01 -1.14 1.69 0.00 0.21 0.00 0.00 175.17 175.93 2dmm h ALA 87 N 9.21 -0.16 0.00 5.23 0.00 -1.74 0.13 119.26 131.93 2dmm h ALA 87 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dmm h ALA 87 Cb 1.08 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dmm h ALA 87 CO 1.05 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2dmm h THR 88 N -0.21 0.00 -0.05 0.00 1.03 -1.92 0.20 112.91 111.95 2dmm h THR 88 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.42 2dmm h THR 88 Cb 0.24 0.63 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 2dmm h THR 88 CO -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.43 2dmm n ALA 89 N -1.86 2.46 -3.61 0.00 0.00 -0.34 -4.94 120.51 112.22 2dmm n ALA 89 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 53.44 52.73 2dmm n ALA 89 Cb 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 2dmm n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmm s ASN 90 N -1.29 -0.91 0.17 0.00 0.01 0.69 -3.57 114.94 110.04 2dmm s ASN 90 Ca 0.19 1.33 -0.34 0.00 -0.71 0.00 0.00 52.86 53.34 2dmm s ASN 90 Cb 0.13 1.76 -0.14 0.00 0.41 0.00 0.00 41.25 43.42 2dmm s ASN 90 CO 0.20 -0.20 1.59 -0.67 -1.51 0.00 0.00 177.10 176.52 2dmm n ASP 91 N 4.77 3.20 -4.69 -1.22 2.03 0.23 -4.28 116.55 116.60 2dmm n ASP 91 Ca -0.15 1.08 -0.42 0.00 0.52 0.00 0.00 54.79 55.82 2dmm n ASP 91 Cb 0.54 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.47 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 0.93 4.59 0.00 5.18 1.01 -1.26 -4.73 120.40 126.12 2dmm s VAL 92 Ca 0.78 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.64 2dmm s VAL 92 Cb -0.66 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.52 2dmm s VAL 92 CO 0.37 0.00 0.00 -0.81 0.00 0.00 0.00 175.10 174.66 2dmm n PRO 93 N 5.08 0.08 -4.35 2.72 -0.04 -1.25 -4.91 135.00 132.33 2dmm n PRO 93 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2dmm n PRO 93 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.84 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 2.49 0.00 3.54 0.01 -1.26 -3.08 113.70 113.89 2dmm s SER 94 Ca 0.00 -1.05 0.15 0.00 1.31 0.00 0.00 55.95 56.36 2dmm s SER 94 Cb 0.00 -0.12 0.83 0.00 0.21 0.00 0.00 66.02 66.94 2dmm s SER 94 CO 0.00 -0.23 1.37 -0.81 0.41 0.00 0.00 173.24 173.99 2dmm n PRO 95 N -0.39 0.34 -1.33 12.44 -0.04 -1.26 -4.83 135.00 139.93 2dmm n PRO 95 Ca -0.08 0.08 -0.52 0.00 -0.04 0.00 0.00 63.50 62.94 2dmm n PRO 95 Cb 0.61 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.15 0.96 -4.23 0.54 4.01 -1.18 -4.93 117.16 111.18 2dmm n TYR 96 Ca 0.09 0.90 -0.25 0.00 -0.16 0.00 0.00 57.90 58.48 2dmm n TYR 96 Cb 0.09 -1.77 -0.17 0.00 -0.31 0.00 0.00 39.34 37.18 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 1.17 1.59 -0.28 -0.72 2.12 -1.26 -4.56 118.70 116.76 2dmm s GLU 97 Ca 0.80 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.80 2dmm s GLU 97 Cb -1.13 -1.48 0.09 0.00 0.26 0.00 0.00 34.13 31.87 2dmm s GLU 97 CO 0.56 -0.12 0.06 0.08 -0.54 0.00 0.00 175.26 175.30 2dmm s VAL 98 N 1.18 0.97 -0.18 3.70 1.01 -1.26 -4.96 120.40 120.87 2dmm s VAL 98 Ca -0.05 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.75 2dmm s VAL 98 Cb -0.14 -1.61 -0.16 0.00 0.00 0.00 0.00 36.38 34.48 2dmm s VAL 98 CO -0.02 -0.49 -0.07 -1.14 0.00 0.00 0.00 175.10 173.37 2dmm n ARG 99 N 4.83 0.95 -3.99 2.72 3.00 -1.26 -5.00 116.66 117.92 2dmm n ARG 99 Ca -0.05 0.06 -0.16 0.00 -0.00 0.00 0.00 57.85 57.70 2dmm n ARG 99 Cb 0.43 -1.39 -0.15 0.00 0.00 0.00 0.00 32.46 31.35 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 -5.44 0.21 0.22 5.14 0.00 -1.26 -5.15 107.32 101.04 2dmm s GLY 100 Ca -0.18 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.59 2dmm s GLY 100 CO 0.53 0.28 0.38 -1.36 0.00 0.00 0.00 173.10 172.93 2dmm s PHE 101 N 0.53 3.48 0.91 1.90 0.40 -1.26 -4.23 117.98 119.71 2dmm s PHE 101 Ca -0.05 0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.35 2dmm s PHE 101 Cb -0.08 -1.73 0.13 0.00 0.51 0.00 0.00 43.02 41.85 2dmm s PHE 101 CO -0.01 0.39 1.09 -1.25 0.70 0.00 0.00 175.22 176.15 2dmm s PRO 102 N -3.63 1.17 -0.25 0.24 0.04 -1.26 -4.91 135.00 126.40 2dmm s PRO 102 Ca 0.36 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 2dmm s PRO 102 Cb -0.10 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.76 2dmm s PRO 102 CO 0.30 -2.29 0.28 0.99 0.04 0.00 0.00 177.00 176.32 2dmm s THR 103 N -2.94 -0.41 -0.04 1.26 2.01 -1.16 -5.08 115.64 109.27 2dmm s THR 103 Ca 0.64 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 2dmm s THR 103 Cb -0.18 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 2dmm s THR 103 CO 0.57 -0.32 0.26 -0.63 -0.69 0.00 0.00 174.62 173.81 2dmm s ILE 104 N 2.38 5.30 0.06 1.82 1.01 -1.26 -1.25 121.20 129.26 2dmm s ILE 104 Ca 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 2dmm s ILE 104 Cb -0.15 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2dmm s ILE 104 CO -0.23 0.53 0.01 -0.31 0.00 0.00 0.00 174.94 174.94 2dmm s TYR 105 N -1.13 0.49 -0.01 3.97 2.02 0.49 -2.98 117.35 120.20 2dmm s TYR 105 Ca 0.21 -1.01 0.04 0.00 -0.37 0.00 0.00 57.07 55.94 2dmm s TYR 105 Cb -0.14 -0.35 -0.01 0.00 -0.40 0.00 0.00 41.96 41.06 2dmm s TYR 105 CO 0.10 -0.41 -0.13 0.12 -1.57 0.00 0.00 175.55 173.67 2dmm s PHE 106 N -3.92 1.14 -0.48 2.71 5.36 0.18 -1.41 117.98 121.57 2dmm s PHE 106 Ca 0.08 -0.22 -0.06 0.00 -0.96 0.00 0.00 56.93 55.76 2dmm s PHE 106 Cb 0.08 -0.73 0.12 0.00 -0.34 0.00 0.00 43.02 42.15 2dmm s PHE 106 CO -0.09 -0.02 0.32 -1.54 -1.46 0.00 0.00 175.22 172.43 2dmm s SER 107 N -0.35 5.53 0.93 6.13 1.04 -0.19 -1.61 113.70 125.17 2dmm s SER 107 Ca 0.05 -2.08 -0.12 0.00 0.48 0.00 0.00 55.95 54.27 2dmm s SER 107 Cb -0.05 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 64.28 2dmm s SER 107 CO -0.00 -0.60 1.09 -2.16 0.98 0.00 0.00 173.24 172.54 2dmm s PRO 108 N 1.09 0.98 -0.05 4.02 0.04 -1.26 -2.63 135.00 137.18 2dmm s PRO 108 Ca 0.08 0.72 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 2dmm s PRO 108 Cb -0.24 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2dmm s PRO 108 CO -0.03 -2.41 0.88 0.00 0.04 0.00 0.00 177.00 175.49 2dmm s ALA 109 N -2.94 3.29 -1.47 8.56 0.00 -1.26 -3.61 121.76 124.32 2dmm s ALA 109 Ca 0.64 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2dmm s ALA 109 Cb -0.18 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2dmm s ALA 109 CO 0.57 -0.29 0.00 0.09 0.00 0.00 0.00 175.76 176.13 2dmm n ASN 110 N 4.18 -5.01 -2.63 0.00 3.02 -1.26 -4.85 115.26 108.70 2dmm n ASN 110 Ca 0.04 0.09 -0.07 0.00 -0.03 0.00 0.00 54.58 54.61 2dmm n ASN 110 Cb 0.51 -4.21 0.04 0.00 -0.61 0.00 0.00 39.78 35.51 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 -2.90 2.16 0.03 3.52 5.02 -1.24 -4.87 118.16 119.88 2dmm n LYS 111 Ca -0.20 -3.66 0.00 0.00 -2.02 0.00 0.00 58.31 52.43 2dmm n LYS 111 Cb 0.65 -1.75 0.32 0.00 -0.02 0.00 0.00 35.03 34.23 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 2.54 0.45 -0.33 1.97 1.79 -1.89 -2.48 116.57 118.62 2dmm h LYS 112 Ca -0.01 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.26 2dmm h LYS 112 Cb 1.32 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2dmm h LYS 112 CO 0.35 0.51 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.93 2dmm h LEU 113 N 0.43 0.65 -6.95 2.94 4.07 -1.93 -3.36 115.31 111.16 2dmm h LEU 113 Ca 0.09 -0.23 -0.61 0.00 0.08 0.00 0.00 57.88 57.21 2dmm h LEU 113 Cb 0.34 -0.18 -0.41 0.00 1.08 0.00 0.00 40.66 41.49 2dmm h LEU 113 CO 0.01 0.87 -0.67 0.54 -1.08 0.00 0.00 178.44 178.11 2dmm s ASN 114 N -6.77 4.03 1.21 -0.43 2.20 -0.95 -4.80 114.94 109.43 2dmm s ASN 114 Ca -0.08 -3.55 -0.19 0.00 -0.94 0.00 0.00 52.86 48.09 2dmm s ASN 114 Cb 0.13 -1.35 0.29 0.00 -2.00 0.00 0.00 41.25 38.32 2dmm s ASN 114 CO 0.81 -0.12 1.11 -2.16 -2.94 0.00 0.00 177.10 173.80 2dmm s PRO 115 N -0.95 -1.29 -0.15 3.55 0.04 -1.14 -4.86 135.00 130.20 2dmm s PRO 115 Ca 0.25 -0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 2dmm s PRO 115 Cb -0.06 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2dmm s PRO 115 CO -0.15 -3.75 -0.13 0.15 0.04 0.00 0.00 177.00 173.15 2dmm s LYS 116 N -5.42 3.31 -0.42 4.56 3.01 -0.64 -5.00 119.74 119.14 2dmm s LYS 116 Ca 0.71 -0.71 -0.13 0.00 -1.01 0.00 0.00 55.97 54.83 2dmm s LYS 116 Cb -0.09 -2.65 0.04 0.00 -1.01 0.00 0.00 37.83 34.12 2dmm s LYS 116 CO 0.56 0.10 0.30 0.21 0.51 0.00 0.00 175.35 177.03 2dmm s LYS 117 N 0.62 2.89 -0.33 1.68 2.20 -1.26 0.50 119.74 126.04 2dmm s LYS 117 Ca -0.08 -1.19 -0.31 0.00 -0.36 0.00 0.00 55.97 54.04 2dmm s LYS 117 Cb -0.16 -3.94 -0.09 0.00 -1.51 0.00 0.00 37.83 32.14 2dmm s LYS 117 CO 0.03 -0.84 2.24 0.98 -0.36 0.00 0.00 175.35 177.40 2dmm n TYR 118 N 5.10 1.70 -3.82 4.03 9.36 -1.16 -4.90 117.16 127.47 2dmm n TYR 118 Ca -0.11 0.10 -0.30 0.00 3.32 0.00 0.00 57.90 60.91 2dmm n TYR 118 Cb 0.45 -2.62 -0.14 0.00 -0.63 0.00 0.00 39.34 36.41 2dmm n TYR 118 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2dmm s GLU 119 N 6.58 1.54 0.00 2.98 2.02 -1.26 -4.72 118.70 125.84 2dmm s GLU 119 Ca 1.06 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2dmm s GLU 119 Cb -0.59 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2dmm s GLU 119 CO 0.41 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.98 2dmm n GLY 120 N 3.47 1.57 3.86 -1.39 0.00 -1.26 -5.15 105.19 106.29 2dmm n GLY 120 Ca 0.06 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 2.29 -0.15 -0.02 0.00 -1.26 -4.98 107.32 103.21 2dmm s GLY 121 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.26 2dmm s GLY 121 CO 0.00 -0.14 1.84 0.54 0.00 0.00 0.00 173.10 175.34 2dmm n ARG 122 N 1.95 1.38 -3.63 2.90 1.74 -1.26 -4.55 116.66 115.19 2dmm n ARG 122 Ca -0.17 -0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 55.77 2dmm n ARG 122 Cb 0.54 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 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 -0.89 4.20 0.15 5.56 2.56 -1.26 -4.94 118.70 124.08 2dmm s GLU 123 Ca 0.15 -0.08 -0.14 0.00 0.00 0.00 0.00 54.97 54.89 2dmm s GLU 123 Cb 0.12 -3.44 0.13 0.00 2.00 0.00 0.00 34.13 32.94 2dmm s GLU 123 CO 0.00 0.23 1.11 -0.11 -0.56 0.00 0.00 175.26 175.93 2dmm n LEU 124 N 3.67 -0.52 -0.16 2.70 -0.00 -1.26 0.16 117.00 121.59 2dmm n LEU 124 Ca -0.14 1.25 -0.05 0.00 -0.00 0.00 0.00 56.01 57.07 2dmm n LEU 124 Cb 0.52 -0.26 0.05 0.00 -0.00 0.00 0.00 43.42 43.72 2dmm n LEU 124 CO 0.38 -1.10 1.03 0.77 -0.00 0.00 0.00 177.39 178.47 2dmm h SER 125 N 0.00 0.39 -0.78 1.96 4.64 -1.94 -1.24 113.55 116.59 2dmm h SER 125 Ca 0.22 0.02 0.17 0.00 -0.47 0.00 0.00 61.79 61.74 2dmm h SER 125 Cb 0.40 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 2dmm h SER 125 CO -0.70 0.27 0.53 -0.78 -0.87 0.00 0.00 176.83 175.28 2dmm h ASP 126 N 0.52 0.31 -0.14 4.97 1.82 0.13 -0.12 116.42 123.91 2dmm h ASP 126 Ca 0.22 0.02 -0.22 0.00 -0.39 0.00 0.00 57.03 56.66 2dmm h ASP 126 Cb 0.10 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.08 2dmm h ASP 126 CO -0.14 0.15 -0.77 -0.26 -1.61 0.00 0.00 179.24 176.61 2dmm h PHE 127 N 0.32 1.05 0.70 0.28 0.04 -0.04 -1.61 116.94 117.68 2dmm h PHE 127 Ca 0.39 -0.47 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 2dmm h PHE 127 Cb 1.03 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 39.03 2dmm h PHE 127 CO -0.00 1.30 -0.33 0.82 -0.60 0.00 0.00 178.31 179.50 2dmm h ILE 128 N 0.50 0.28 -0.45 -0.55 2.04 -0.50 -2.65 117.51 116.18 2dmm h ILE 128 Ca -0.06 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2dmm h ILE 128 Cb 1.40 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2dmm h ILE 128 CO 0.16 0.01 0.16 -1.28 0.00 0.00 0.00 178.15 177.20 2dmm h SER 129 N -1.01 0.58 -0.45 1.72 0.87 -1.40 -1.03 113.55 112.83 2dmm h SER 129 Ca -0.10 -0.07 0.08 0.00 -1.23 0.00 0.00 61.79 60.47 2dmm h SER 129 Cb 0.74 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 2dmm h SER 129 CO 0.16 0.54 0.05 0.22 -0.53 0.00 0.00 176.83 177.28 2dmm h TYR 130 N 0.64 0.08 0.02 2.24 5.03 -1.14 -2.40 116.97 121.43 2dmm h TYR 130 Ca 0.15 0.03 -0.27 0.00 2.58 0.00 0.00 58.73 61.23 2dmm h TYR 130 Cb 0.16 0.03 0.02 0.00 1.55 0.00 0.00 36.73 38.49 2dmm h TYR 130 CO 0.01 -0.04 -1.06 -0.07 -1.32 0.00 0.00 178.16 175.68 2dmm h LEU 131 N 0.18 0.85 -1.00 2.82 3.38 -1.17 -2.66 115.31 117.71 2dmm h LEU 131 Ca 0.22 -0.69 0.40 0.00 0.09 0.00 0.00 57.88 57.90 2dmm h LEU 131 Cb 0.31 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 40.62 2dmm h LEU 131 CO -0.33 1.50 0.47 0.00 0.09 0.00 0.00 178.44 180.18 2dmm n GLN 132 N -3.82 -0.06 -0.04 1.13 6.02 -0.42 0.14 117.38 120.32 2dmm n GLN 132 Ca -0.11 1.39 -0.03 0.00 -0.01 0.00 0.00 57.00 58.24 2dmm n GLN 132 Cb 0.89 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.68 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 -5.28 0.26 -0.33 -1.09 1.74 -1.13 -4.57 116.66 106.27 2dmm n ARG 133 Ca 0.36 0.35 -0.12 0.00 -0.77 0.00 0.00 57.85 57.67 2dmm n ARG 133 Cb 1.22 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 31.33 2dmm n ARG 133 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dmm h GLU 134 N -0.56 -0.12 -4.56 5.56 4.39 -1.18 -3.40 114.58 114.72 2dmm h GLU 134 Ca 0.00 0.01 -0.64 0.00 0.34 0.00 0.00 59.36 59.07 2dmm h GLU 134 Cb 0.34 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2dmm h GLU 134 CO 0.00 -0.08 0.68 0.00 -1.16 0.00 0.00 179.01 178.46 2dmm n ALA 135 N -3.19 -0.63 -0.40 3.43 0.00 0.12 -4.80 120.51 115.03 2dmm n ALA 135 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2dmm n ALA 135 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 3.67 0.00 0.02 0.00 -2.24 -1.26 -3.15 114.28 111.32 2dmm n THR 136 Ca 0.30 0.94 -0.08 0.00 -2.27 0.00 0.00 64.05 62.93 2dmm n THR 136 Cb -0.04 -1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 66.81 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 -0.14 -5.00 3.42 0.02 -1.91 -3.51 113.55 106.43 2dmm h SER 137 Ca 0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2dmm h SER 137 Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2dmm h SER 137 CO 0.00 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 2dmm n GLY 138 N 1.05 -4.16 3.75 -3.77 0.00 -1.19 -4.98 105.19 95.89 2dmm n GLY 138 Ca -0.06 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.92 4.42 0.13 1.61 0.04 -1.26 -4.94 135.00 134.08 2dmm s PRO 139 Ca 0.00 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 2dmm s PRO 139 Cb 0.00 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 2dmm s PRO 139 CO 0.00 -0.18 1.79 0.45 0.04 0.00 0.00 177.00 179.11 2dmm s SER 140 N 0.02 6.44 -0.45 6.66 0.15 -1.26 -4.90 113.70 120.36 2dmm s SER 140 Ca 0.53 2.73 0.04 0.00 0.70 0.00 0.00 55.95 59.96 2dmm s SER 140 Cb -0.36 -2.57 0.44 0.00 -1.71 0.00 0.00 66.02 61.82 2dmm s SER 140 CO 0.41 -0.98 1.45 -1.20 1.20 0.00 0.00 173.24 174.12 2dmm n SER 141 N 5.46 5.77 0.00 5.45 7.64 -1.26 -5.20 113.62 131.48 2dmm n SER 141 Ca 0.17 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.29 2dmm n SER 141 Cb 0.38 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2dmm n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64