#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 0.16 0.15 1.61 0.15 -1.26 -5.17 113.70 109.34 2dmm s SER 2 Ca 0.00 -0.99 0.09 0.00 0.70 0.00 0.00 55.95 55.75 2dmm s SER 2 Cb 0.00 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2dmm s SER 2 CO 0.00 -0.81 -0.15 -0.94 1.20 0.00 0.00 173.24 172.54 2dmm s SER 3 N -2.99 4.01 -0.43 5.45 1.04 -1.26 -5.10 113.70 114.42 2dmm s SER 3 Ca 0.19 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 56.06 2dmm s SER 3 Cb 0.05 -0.60 0.16 0.00 0.10 0.00 0.00 66.02 65.74 2dmm s SER 3 CO -0.00 0.14 0.32 -0.83 0.98 0.00 0.00 173.24 173.85 2dmm s GLY 4 N -2.48 1.34 0.16 7.32 0.00 -1.26 -5.12 107.32 107.28 2dmm s GLY 4 Ca 0.21 -2.48 0.01 0.00 0.00 0.00 0.00 44.72 42.45 2dmm s GLY 4 CO 0.12 1.97 0.32 -0.56 0.00 0.00 0.00 173.10 174.95 2dmm s SER 5 N 0.13 6.37 -0.14 1.64 0.01 -1.26 -5.11 113.70 115.33 2dmm s SER 5 Ca 0.28 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.79 2dmm s SER 5 Cb -0.04 -1.96 0.07 0.00 0.21 0.00 0.00 66.02 64.30 2dmm s SER 5 CO -0.14 0.03 0.24 -0.55 0.41 0.00 0.00 173.24 173.23 2dmm s SER 6 N -3.09 0.67 0.00 2.44 0.15 -1.26 -5.07 113.70 107.54 2dmm s SER 6 Ca 0.36 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2dmm s SER 6 Cb -0.11 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2dmm s SER 6 CO 0.28 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2dmm n GLY 7 N 5.34 0.31 0.42 9.45 0.00 -1.26 -5.10 105.19 114.35 2dmm n GLY 7 Ca -0.06 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 2dmm n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2dmm n PHE 8 N 0.00 0.00 -2.19 1.61 -1.74 -1.26 -4.86 117.46 109.02 2dmm n PHE 8 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 2dmm n PHE 8 Cb 0.00 -0.57 -0.04 0.00 1.52 0.00 0.00 39.48 40.39 2dmm n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2dmm s ASP 9 N -6.47 5.52 0.04 5.98 1.11 -1.26 -4.93 116.67 116.67 2dmm s ASP 9 Ca -0.24 -0.57 0.00 0.00 0.18 0.00 0.00 52.55 51.91 2dmm s ASP 9 Cb 0.08 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.51 2dmm s ASP 9 CO 0.32 -2.34 0.00 0.61 1.18 0.00 0.00 175.17 174.94 2dmm n GLY 10 N 6.47 3.98 3.39 0.21 0.00 -1.26 -5.07 105.19 112.91 2dmm n GLY 10 Ca 0.31 -2.21 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 2dmm n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmm s ASN 11 N -1.20 7.13 -0.02 1.61 -0.87 -1.26 -4.81 114.94 115.52 2dmm s ASN 11 Ca 0.00 -3.18 0.02 0.00 -1.57 0.00 0.00 52.86 48.13 2dmm s ASN 11 Cb -0.00 -2.29 0.10 0.00 -0.02 0.00 0.00 41.25 39.04 2dmm s ASN 11 CO 0.00 -0.54 0.87 -0.11 -2.57 0.00 0.00 177.10 174.76 2dmm n LEU 12 N 4.16 1.09 -4.68 0.60 0.00 -1.26 -4.86 117.00 112.06 2dmm n LEU 12 Ca 0.28 -0.55 -0.42 0.00 0.00 0.00 0.00 56.01 55.31 2dmm n LEU 12 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 43.42 43.51 2dmm n LEU 12 CO 0.51 0.22 1.15 -0.54 0.00 0.00 0.00 177.39 178.73 2dmm s LYS 13 N -1.55 4.26 -0.27 1.96 -0.14 -1.26 -4.71 119.74 118.02 2dmm s LYS 13 Ca 0.07 1.93 -0.12 0.00 -1.36 0.00 0.00 55.97 56.48 2dmm s LYS 13 Cb 0.05 -3.69 0.10 0.00 -1.68 0.00 0.00 37.83 32.61 2dmm s LYS 13 CO 0.03 -0.64 0.62 1.03 -0.76 0.00 0.00 175.35 175.63 2dmm s ARG 14 N 2.90 0.59 -0.06 1.68 1.81 -1.26 -5.12 118.95 119.49 2dmm s ARG 14 Ca 0.63 1.25 -0.31 0.00 -1.72 0.00 0.00 55.73 55.59 2dmm s ARG 14 Cb -0.29 0.42 0.11 0.00 -0.45 0.00 0.00 34.95 34.74 2dmm s ARG 14 CO 0.24 -0.18 1.00 1.52 -0.68 0.00 0.00 175.30 177.20 2dmm s TYR 15 N 2.17 -0.27 -0.22 -0.53 1.13 -1.26 -4.49 117.35 113.89 2dmm s TYR 15 Ca -0.08 0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 55.73 2dmm s TYR 15 Cb -0.09 0.53 -0.14 0.00 -1.10 0.00 0.00 41.96 41.17 2dmm s TYR 15 CO -0.18 -0.44 -0.21 1.47 -2.51 0.00 0.00 175.55 173.68 2dmm n LEU 16 N -0.20 2.73 -4.26 -3.49 -0.00 -1.26 -5.03 117.00 105.49 2dmm n LEU 16 Ca -0.06 -0.04 -0.16 0.00 -0.00 0.00 0.00 56.01 55.75 2dmm n LEU 16 Cb 0.61 -0.75 -0.10 0.00 -0.00 0.00 0.00 43.42 43.17 2dmm n LEU 16 CO 0.10 0.80 -0.43 -1.59 -0.00 0.00 0.00 177.39 176.27 2dmm s LYS 17 N -2.44 1.07 0.19 1.47 -2.85 -1.26 -5.05 119.74 110.87 2dmm s LYS 17 Ca -0.30 -1.38 -0.23 0.00 -1.00 0.00 0.00 55.97 53.05 2dmm s LYS 17 Cb 0.09 -0.78 0.05 0.00 -2.06 0.00 0.00 37.83 35.13 2dmm s LYS 17 CO 0.49 0.12 0.75 0.45 0.10 0.00 0.00 175.35 177.26 2dmm s SER 18 N -2.91 -0.34 0.28 0.03 0.15 -1.25 -2.31 113.70 107.35 2dmm s SER 18 Ca 0.14 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.53 2dmm s SER 18 Cb -0.01 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2dmm s SER 18 CO 0.02 -1.08 0.24 -1.61 1.20 0.00 0.00 173.24 172.02 2dmm s GLU 19 N -3.66 2.89 0.43 5.44 0.41 -1.26 -4.94 118.70 118.01 2dmm s GLU 19 Ca 0.08 -1.12 -0.24 0.00 -0.41 0.00 0.00 54.97 53.28 2dmm s GLU 19 Cb -0.03 -2.55 -0.08 0.00 -1.78 0.00 0.00 34.13 29.69 2dmm s GLU 19 CO -0.01 0.30 1.17 -1.25 -0.49 0.00 0.00 175.26 174.98 2dmm s PRO 20 N -3.90 3.88 0.16 0.39 0.04 -1.26 -4.58 135.00 129.72 2dmm s PRO 20 Ca 0.36 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 2dmm s PRO 20 Cb -0.07 -2.52 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 2dmm s PRO 20 CO 0.26 -0.46 1.37 0.42 0.04 0.00 0.00 177.00 178.62 2dmm s ILE 21 N -1.48 3.19 1.15 0.56 -1.09 -1.26 -5.01 121.20 117.26 2dmm s ILE 21 Ca 0.61 0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 59.76 2dmm s ILE 21 Cb -0.30 -3.58 0.26 0.00 -1.58 0.00 0.00 42.46 37.26 2dmm s ILE 21 CO 0.37 0.10 1.11 -2.16 -1.23 0.00 0.00 174.94 173.12 2dmm s PRO 22 N 0.53 -0.83 -0.14 2.79 0.04 -1.26 -5.03 135.00 131.11 2dmm s PRO 22 Ca 0.61 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.76 2dmm s PRO 22 Cb -0.37 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 2dmm s PRO 22 CO 0.34 -3.48 -0.09 -0.85 0.04 0.00 0.00 177.00 172.97 2dmm n GLU 23 N -4.62 0.81 -4.52 4.56 0.28 -1.26 -4.99 120.64 110.89 2dmm n GLU 23 Ca 0.11 0.06 -0.24 0.00 -0.16 0.00 0.00 57.16 56.93 2dmm n GLU 23 Cb 0.59 -1.29 -0.16 0.00 1.43 0.00 0.00 31.44 32.00 2dmm n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2dmm s SER 24 N -5.17 1.64 -0.30 -1.84 1.04 -1.26 -5.03 113.70 102.78 2dmm s SER 24 Ca -0.16 -0.27 0.17 0.00 0.48 0.00 0.00 55.95 56.16 2dmm s SER 24 Cb 0.05 -0.76 0.48 0.00 0.10 0.00 0.00 66.02 65.89 2dmm s SER 24 CO 0.37 0.02 1.09 0.59 0.98 0.00 0.00 173.24 176.30 2dmm n ASN 25 N 3.83 2.57 0.24 7.02 3.02 -1.26 -4.84 115.26 125.84 2dmm n ASN 25 Ca -0.23 -2.70 0.15 0.00 -0.03 0.00 0.00 54.58 51.77 2dmm n ASN 25 Cb 0.52 -0.46 0.54 0.00 -0.61 0.00 0.00 39.78 39.77 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 2.60 0.00 -1.57 6.41 3.32 -1.95 -3.43 116.42 121.79 2dmm h ASP 26 Ca 0.02 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.72 2dmm h ASP 26 Cb 1.28 0.00 0.19 0.00 0.22 0.00 0.00 39.33 41.01 2dmm h ASP 26 CO 0.44 0.00 -1.36 0.61 -1.72 0.00 0.00 179.24 177.21 2dmm n GLY 27 N 0.31 -2.46 0.16 2.75 0.00 -1.26 -4.85 105.19 99.83 2dmm n GLY 27 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.82 0.01 -4.74 1.61 0.13 -1.89 -3.40 132.00 121.90 2dmm h PRO 28 Ca -0.34 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.10 2dmm h PRO 28 Cb 1.05 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.83 2dmm h PRO 28 CO 0.22 0.50 -0.71 0.08 -0.23 0.00 0.00 178.00 177.86 2dmm s VAL 29 N -3.93 2.69 0.22 1.56 1.01 -1.26 -3.60 120.40 117.09 2dmm s VAL 29 Ca -0.02 -1.73 -0.32 0.00 0.00 0.00 0.00 61.98 59.91 2dmm s VAL 29 Cb 0.14 -2.68 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 2dmm s VAL 29 CO 0.74 -0.26 1.58 0.29 0.00 0.00 0.00 175.10 177.45 2dmm n LYS 30 N 4.50 2.38 -2.84 2.72 4.76 -0.69 -4.63 118.16 124.37 2dmm n LYS 30 Ca -0.09 0.86 -0.42 0.00 -2.87 0.00 0.00 58.31 55.79 2dmm n LYS 30 Cb 0.42 -2.62 -0.04 0.00 -1.84 0.00 0.00 35.03 30.96 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 0.56 4.87 -0.10 -0.18 1.01 -1.26 -0.46 120.40 124.84 2dmm s VAL 31 Ca 0.72 1.76 0.04 0.00 0.00 0.00 0.00 61.98 64.50 2dmm s VAL 31 Cb -0.59 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.60 2dmm s VAL 31 CO 0.41 0.06 -0.23 -0.69 0.00 0.00 0.00 175.10 174.65 2dmm s VAL 32 N 1.87 1.98 0.06 2.92 1.01 0.70 -4.90 120.40 124.04 2dmm s VAL 32 Ca 0.42 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.52 2dmm s VAL 32 Cb -0.17 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2dmm s VAL 32 CO 0.16 0.54 -0.24 0.68 0.00 0.00 0.00 175.10 176.23 2dmm s VAL 33 N 0.38 1.98 0.51 2.92 -7.23 -1.26 -4.14 120.40 113.55 2dmm s VAL 33 Ca -0.18 -1.40 0.40 0.00 -1.81 0.00 0.00 61.98 58.98 2dmm s VAL 33 Cb -0.18 -1.72 0.59 0.00 0.56 0.00 0.00 36.38 35.63 2dmm s VAL 33 CO 0.08 0.24 1.34 0.00 -0.31 0.00 0.00 175.10 176.45 2dmm n ALA 34 N 1.61 1.50 -0.10 1.32 0.00 -1.26 0.20 120.51 123.78 2dmm n ALA 34 Ca -0.17 0.52 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 2dmm n ALA 34 Cb 0.53 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 0.53 -0.57 0.00 5.08 -1.92 -3.27 114.58 114.43 2dmm h GLU 35 Ca 0.74 -0.18 -0.42 0.00 -1.00 0.00 0.00 59.36 58.50 2dmm h GLU 35 Cb 3.20 -0.04 -0.32 0.00 0.50 0.00 0.00 28.75 32.09 2dmm h GLU 35 CO -0.01 0.70 -0.69 0.27 -1.00 0.00 0.00 179.01 178.28 2dmm n ASN 36 N -4.55 4.19 0.01 1.42 6.94 0.53 -4.78 115.26 119.01 2dmm n ASN 36 Ca -0.03 -3.79 -0.13 0.00 -0.02 0.00 0.00 54.58 50.62 2dmm n ASN 36 Cb 0.28 -0.40 -0.10 0.00 -2.36 0.00 0.00 39.78 37.20 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 1.88 -0.08 0.00 -2.53 3.04 -0.71 -2.70 116.94 115.84 2dmm h PHE 37 Ca 0.29 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2dmm h PHE 37 Cb 1.40 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.94 2dmm h PHE 37 CO 0.85 0.45 0.00 -0.25 -2.02 0.00 0.00 178.31 177.34 2dmm n ASP 38 N -4.86 0.33 0.09 0.41 9.92 -1.26 -0.06 116.55 121.11 2dmm n ASP 38 Ca -0.09 0.59 -0.23 0.00 -0.53 0.00 0.00 54.79 54.53 2dmm n ASP 38 Cb 0.28 -0.65 -0.15 0.00 -0.64 0.00 0.00 41.12 39.96 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2dmm h GLU 39 N 0.00 0.42 0.00 -1.24 4.57 -1.75 -3.30 114.58 113.28 2dmm h GLU 39 Ca 0.00 -0.72 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 2dmm h GLU 39 Cb 0.28 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2dmm h GLU 39 CO 0.00 1.34 -0.89 -0.89 -1.18 0.00 0.00 179.01 177.39 2dmm n ILE 40 N -3.78 1.38 0.15 2.32 5.41 -1.03 -4.71 119.36 119.10 2dmm n ILE 40 Ca -0.20 0.17 -0.13 0.00 1.00 0.00 0.00 62.75 63.59 2dmm n ILE 40 Cb 1.02 -2.29 -0.08 0.00 -0.71 0.00 0.00 39.64 37.59 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 -0.92 0.00 -3.16 1.39 2.07 -0.70 -3.40 116.25 111.52 2dmm h VAL 41 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 2dmm h VAL 41 Cb 0.89 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2dmm h VAL 41 CO 0.00 0.00 0.60 0.20 0.02 0.00 0.00 177.57 178.39 2dmm s ASN 42 N -4.03 7.01 -0.30 0.57 -0.87 -1.10 -4.61 114.94 111.61 2dmm s ASN 42 Ca -0.13 2.11 -0.12 0.00 -1.57 0.00 0.00 52.86 53.15 2dmm s ASN 42 Cb 0.04 -2.58 0.18 0.00 -0.02 0.00 0.00 41.25 38.87 2dmm s ASN 42 CO 0.47 -0.51 1.03 0.20 -2.57 0.00 0.00 177.10 175.72 2dmm s ASN 43 N 1.01 -0.48 -0.10 -1.22 0.01 -1.26 -4.42 114.94 108.48 2dmm s ASN 43 Ca 0.60 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.94 2dmm s ASN 43 Cb -0.32 1.36 0.09 0.00 0.41 0.00 0.00 41.25 42.79 2dmm s ASN 43 CO 0.30 -0.09 1.69 -1.84 -1.51 0.00 0.00 177.10 175.65 2dmm n GLU 44 N 5.34 1.25 0.00 -0.60 0.28 -1.26 -3.43 120.64 122.21 2dmm n GLU 44 Ca -0.01 -0.52 0.00 0.00 -0.16 0.00 0.00 57.16 56.48 2dmm n GLU 44 Cb 0.55 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 32.22 2dmm n GLU 44 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dmm n ASN 45 N 0.78 1.37 -3.95 -1.84 3.02 -1.26 -4.77 115.26 108.60 2dmm n ASN 45 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.54 2dmm n ASN 45 Cb 0.59 0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.69 2dmm n ASN 45 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2dmm s LYS 46 N -1.31 0.25 0.25 3.52 -2.85 -1.22 -5.08 119.74 113.29 2dmm s LYS 46 Ca 0.00 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 2dmm s LYS 46 Cb 0.00 -0.03 -0.10 0.00 -2.06 0.00 0.00 37.83 35.64 2dmm s LYS 46 CO 0.00 -0.00 1.40 -0.51 0.10 0.00 0.00 175.35 176.33 2dmm s ASP 47 N -0.87 6.71 0.03 0.03 1.11 -0.27 -4.67 116.67 118.74 2dmm s ASP 47 Ca -0.08 2.62 0.05 0.00 0.18 0.00 0.00 52.55 55.31 2dmm s ASP 47 Cb -0.06 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.29 2dmm s ASP 47 CO -0.00 -0.65 -0.13 -0.69 1.18 0.00 0.00 175.17 174.88 2dmm s VAL 48 N -0.14 1.06 -0.16 -1.27 1.01 -1.11 -2.30 120.40 117.49 2dmm s VAL 48 Ca 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2dmm s VAL 48 Cb -0.41 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2dmm s VAL 48 CO 0.44 0.02 -0.13 -0.22 0.00 0.00 0.00 175.10 175.21 2dmm s LEU 49 N -1.03 1.80 -0.11 3.92 2.96 -0.82 -0.30 118.68 125.10 2dmm s LEU 49 Ca 0.01 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 2dmm s LEU 49 Cb -0.07 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2dmm s LEU 49 CO 0.01 -0.08 0.02 -0.51 -1.32 0.00 0.00 176.35 174.47 2dmm s ILE 50 N 1.47 4.44 -0.15 6.68 1.10 -1.12 -1.97 121.20 131.64 2dmm s ILE 50 Ca 0.04 -0.19 -0.00 0.00 -0.51 0.00 0.00 60.65 59.99 2dmm s ILE 50 Cb -0.14 -2.90 0.03 0.00 0.15 0.00 0.00 42.46 39.61 2dmm s ILE 50 CO -0.10 0.58 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.51 2dmm s GLU 51 N -0.59 1.78 -0.03 3.50 -6.30 -1.11 0.15 118.70 116.09 2dmm s GLU 51 Ca 0.10 -0.51 -0.15 0.00 -2.50 0.00 0.00 54.97 51.91 2dmm s GLU 51 Cb -0.12 -1.98 -0.05 0.00 0.00 0.00 0.00 34.13 31.97 2dmm s GLU 51 CO 0.02 -0.34 0.41 -0.06 0.02 0.00 0.00 175.26 175.32 2dmm s PHE 52 N 1.58 3.68 0.24 5.30 0.08 0.14 -1.74 117.98 127.26 2dmm s PHE 52 Ca 0.03 0.96 -0.02 0.00 0.12 0.00 0.00 56.93 58.02 2dmm s PHE 52 Cb -0.14 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2dmm s PHE 52 CO -0.09 0.55 0.23 1.52 -0.10 0.00 0.00 175.22 177.33 2dmm s TYR 53 N -0.75 1.12 -0.07 0.36 -0.85 -1.08 -1.13 117.35 114.95 2dmm s TYR 53 Ca 0.24 -1.32 0.05 0.00 -0.52 0.00 0.00 57.07 55.52 2dmm s TYR 53 Cb -0.16 -0.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.74 2dmm s TYR 53 CO 0.12 -0.76 -0.22 0.00 -1.52 0.00 0.00 175.55 173.17 2dmm s ALA 54 N -3.96 1.96 -1.92 9.51 0.00 -1.26 -3.53 121.76 122.55 2dmm s ALA 54 Ca 0.36 -0.89 0.16 0.00 0.00 0.00 0.00 51.96 51.58 2dmm s ALA 54 Cb 0.05 -0.68 0.91 0.00 0.00 0.00 0.00 23.12 23.40 2dmm s ALA 54 CO 0.14 0.32 1.36 -0.35 0.00 0.00 0.00 175.76 177.23 2dmm n PRO 55 N 3.26 0.45 -0.58 0.00 -0.04 -1.26 -2.17 135.00 134.66 2dmm n PRO 55 Ca -0.19 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.35 2dmm n PRO 55 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.04 0.00 -4.07 0.54 4.27 -1.26 -5.00 117.44 110.88 2dmm n TRP 56 Ca 0.11 -0.79 -0.32 0.00 -3.89 0.00 0.00 57.50 52.61 2dmm n TRP 56 Cb 0.06 -0.15 -0.15 0.00 -1.36 0.00 0.00 31.31 29.71 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 7.79 -0.63 -0.49 0.00 0.00 -1.94 -1.46 103.07 106.34 2dmm h GLY 58 Ca -0.21 0.72 0.04 0.00 0.00 0.00 0.00 47.33 47.88 2dmm h GLY 58 CO 0.47 -0.03 -0.29 1.57 0.00 0.00 0.00 176.54 178.26 2dmm n HIS 59 N -5.32 -0.21 -0.36 5.60 -0.00 -1.26 0.12 115.22 113.79 2dmm n HIS 59 Ca 0.03 0.61 0.06 0.00 -0.00 0.00 0.00 57.72 58.43 2dmm n HIS 59 Cb 0.30 -0.50 0.15 0.00 -0.00 0.00 0.00 29.99 29.95 2dmm n HIS 59 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dmm h LYS 61 N 0.00 0.12 0.00 0.00 1.79 0.96 1.57 116.57 121.01 2dmm h LYS 61 Ca 0.48 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.92 2dmm h LYS 61 Cb 0.75 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2dmm h LYS 61 CO -1.02 0.08 -0.11 -0.97 -1.08 0.00 0.00 179.45 176.36 2dmm h ASN 62 N 0.13 0.00 0.77 0.86 -1.24 0.59 -2.75 115.58 113.94 2dmm h ASN 62 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2dmm h ASN 62 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2dmm h ASN 62 CO -0.17 0.11 -1.23 -0.11 -1.29 0.00 0.00 177.43 174.74 2dmm n LEU 63 N -3.25 0.66 -0.27 0.34 7.94 0.26 -4.17 117.00 118.52 2dmm n LEU 63 Ca 0.00 0.25 -0.09 0.00 -1.11 0.00 0.00 56.01 55.06 2dmm n LEU 63 Cb 0.36 -0.05 -0.06 0.00 0.53 0.00 0.00 43.42 44.21 2dmm n LEU 63 CO 0.30 -0.15 0.53 -0.08 -1.11 0.00 0.00 177.39 176.89 2dmm h GLU 64 N 0.00 -0.17 -0.13 1.96 4.81 0.25 0.56 114.58 121.86 2dmm h GLU 64 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2dmm h GLU 64 Cb 1.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2dmm h GLU 64 CO 0.00 -0.12 -0.45 -1.00 -0.73 0.00 0.00 179.01 176.71 2dmm h PRO 65 N -0.18 0.32 -0.13 0.92 0.13 -1.76 0.10 132.00 131.39 2dmm h PRO 65 Ca 0.17 -0.17 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2dmm h PRO 65 Cb 0.54 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2dmm h PRO 65 CO -0.77 0.72 -0.25 0.87 -0.23 0.00 0.00 178.00 178.33 2dmm h LYS 66 N 0.26 0.24 0.03 0.86 1.57 -1.17 -3.14 116.57 115.22 2dmm h LYS 66 Ca 0.02 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 2dmm h LYS 66 Cb 0.91 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 2dmm h LYS 66 CO 0.07 0.48 -1.35 -0.92 -0.57 0.00 0.00 179.45 177.17 2dmm h TYR 67 N 0.22 0.12 -0.87 -1.35 3.20 0.17 -3.39 116.97 115.06 2dmm h TYR 67 Ca 0.04 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 61.90 2dmm h TYR 67 Cb 0.57 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 2dmm h TYR 67 CO 0.01 1.53 -0.52 1.17 -1.64 0.00 0.00 178.16 178.71 2dmm n LYS 68 N -4.23 -0.38 -0.39 1.82 4.81 0.34 -0.59 118.16 119.53 2dmm n LYS 68 Ca -0.31 1.33 -0.09 0.00 -0.87 0.00 0.00 58.31 58.37 2dmm n LYS 68 Cb 0.76 -1.96 -0.08 0.00 0.02 0.00 0.00 35.03 33.77 2dmm n LYS 68 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2dmm n GLU 69 N -5.08 -0.39 -0.42 1.64 -0.58 -1.19 0.14 120.64 114.77 2dmm n GLU 69 Ca 0.02 1.42 0.35 0.00 -0.42 0.00 0.00 57.16 58.53 2dmm n GLU 69 Cb 0.23 -2.09 0.62 0.00 -0.57 0.00 0.00 31.44 29.63 2dmm n GLU 69 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dmm h LEU 70 N 0.00 0.28 0.07 -4.62 5.85 -1.05 0.44 115.31 116.29 2dmm h LEU 70 Ca 0.17 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2dmm h LEU 70 Cb 0.40 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2dmm h LEU 70 CO -0.89 -0.22 -0.04 1.23 -0.34 0.00 0.00 178.44 178.18 2dmm h GLY 71 N 0.10 -0.35 2.00 3.75 0.00 0.14 0.19 103.07 108.89 2dmm h GLY 71 Ca 0.82 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 48.28 2dmm h GLY 71 CO -0.49 -0.13 -0.07 1.05 0.00 0.00 0.00 176.54 176.90 2dmm h GLU 72 N -0.11 0.00 -0.28 4.80 4.11 -1.26 -2.11 114.58 119.73 2dmm h GLU 72 Ca -0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 2dmm h GLU 72 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2dmm h GLU 72 CO 0.01 0.07 -0.57 0.87 0.07 0.00 0.00 179.01 179.46 2dmm h LYS 73 N 0.00 0.88 -0.11 1.06 1.79 0.00 -2.96 116.57 117.23 2dmm h LYS 73 Ca -0.00 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2dmm h LYS 73 Cb 0.28 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2dmm h LYS 73 CO 0.01 1.21 0.00 1.28 -1.08 0.00 0.00 179.45 180.87 2dmm n LEU 74 N -4.00 1.42 -0.04 2.94 4.77 0.64 -4.09 117.00 118.63 2dmm n LEU 74 Ca -0.05 -0.56 0.17 0.00 -0.03 0.00 0.00 56.01 55.54 2dmm n LEU 74 Cb 0.64 -0.07 0.61 0.00 -2.33 0.00 0.00 43.42 42.27 2dmm n LEU 74 CO 0.51 0.28 1.19 -1.28 -1.33 0.00 0.00 177.39 176.76 2dmm h SER 75 N 1.98 0.17 0.00 -1.43 0.87 -1.22 0.47 113.55 114.38 2dmm h SER 75 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dmm h SER 75 Cb 0.43 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2dmm h SER 75 CO 0.00 0.09 0.00 1.17 -0.53 0.00 0.00 176.83 177.56 2dmm n LYS 76 N -4.43 0.65 -3.40 2.24 4.81 -1.26 -4.49 118.16 112.29 2dmm n LYS 76 Ca 0.10 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.10 2dmm n LYS 76 Cb 0.52 -1.43 -0.06 0.00 0.02 0.00 0.00 35.03 34.08 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 -1.90 6.01 0.00 3.14 -1.08 0.16 -4.91 116.67 118.09 2dmm s ASP 77 Ca 0.27 -1.83 0.15 0.00 -0.52 0.00 0.00 52.55 50.62 2dmm s ASP 77 Cb 0.12 -2.14 0.89 0.00 -1.46 0.00 0.00 42.92 40.34 2dmm s ASP 77 CO 0.21 -0.80 1.31 -0.81 0.52 0.00 0.00 175.17 175.60 2dmm n PRO 78 N 5.12 0.49 -0.05 4.34 -0.04 -1.26 -2.92 135.00 140.68 2dmm n PRO 78 Ca -0.12 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.26 2dmm n PRO 78 Cb 0.40 -1.48 -0.05 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 -0.98 2.84 -4.80 3.54 5.03 -1.26 -4.98 115.26 114.65 2dmm n ASN 79 Ca 0.11 -0.03 -0.38 0.00 0.87 0.00 0.00 54.58 55.15 2dmm n ASN 79 Cb 0.05 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 38.56 2dmm n ASN 79 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2dmm s ILE 80 N -2.22 4.90 -0.16 2.41 1.01 -1.15 -1.12 121.20 124.89 2dmm s ILE 80 Ca -0.15 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 2dmm s ILE 80 Cb 0.04 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.72 2dmm s ILE 80 CO 0.24 0.52 0.01 -0.69 0.00 0.00 0.00 174.94 175.02 2dmm s VAL 81 N -0.76 0.58 0.02 2.92 1.01 -0.97 -4.69 120.40 118.50 2dmm s VAL 81 Ca 0.27 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2dmm s VAL 81 Cb -0.18 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2dmm s VAL 81 CO 0.16 -0.03 0.87 -0.63 0.00 0.00 0.00 175.10 175.47 2dmm s ILE 82 N 1.85 4.80 0.23 2.22 -1.09 -1.26 -1.94 121.20 126.00 2dmm s ILE 82 Ca 0.01 1.84 -0.04 0.00 -2.23 0.00 0.00 60.65 60.23 2dmm s ILE 82 Cb -0.15 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 2dmm s ILE 82 CO -0.07 0.26 0.25 0.00 -1.23 0.00 0.00 174.94 174.15 2dmm s ALA 83 N 0.52 0.81 0.03 9.38 0.00 -0.83 -1.70 121.76 129.96 2dmm s ALA 83 Ca 0.45 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 2dmm s ALA 83 Cb -0.21 1.30 -0.01 0.00 0.00 0.00 0.00 23.12 24.20 2dmm s ALA 83 CO 0.25 -0.68 0.07 -1.59 0.00 0.00 0.00 175.76 173.82 2dmm s LYS 84 N -4.02 0.55 -0.15 0.00 -2.85 0.39 -2.77 119.74 110.90 2dmm s LYS 84 Ca 0.34 -0.75 -0.10 0.00 -1.00 0.00 0.00 55.97 54.46 2dmm s LYS 84 Cb 0.04 0.21 0.05 0.00 -2.06 0.00 0.00 37.83 36.07 2dmm s LYS 84 CO 0.13 -0.13 0.36 1.41 0.10 0.00 0.00 175.35 177.22 2dmm s MET 85 N -2.50 0.37 -1.29 1.78 1.75 -0.71 -0.22 119.30 118.48 2dmm s MET 85 Ca -0.06 0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 54.88 2dmm s MET 85 Cb -0.02 0.03 0.12 0.00 2.84 0.00 0.00 34.83 37.81 2dmm s MET 85 CO -0.04 -0.12 1.74 -0.40 -0.65 0.00 0.00 175.02 175.54 2dmm n ASP 86 N 3.79 4.91 -0.27 1.11 5.75 -1.26 -2.64 116.55 127.94 2dmm n ASP 86 Ca -0.20 -2.97 -0.07 0.00 -0.01 0.00 0.00 54.79 51.54 2dmm n ASP 86 Cb 0.56 -1.62 -0.06 0.00 -1.03 0.00 0.00 41.12 38.96 2dmm n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dmm n ALA 87 N 6.17 -0.41 -0.20 2.12 0.00 -1.23 0.94 120.51 127.90 2dmm n ALA 87 Ca 0.43 0.55 0.18 0.00 0.00 0.00 0.00 53.44 54.60 2dmm n ALA 87 Cb 0.42 -0.02 0.33 0.00 0.00 0.00 0.00 19.45 20.18 2dmm n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dmm n THR 88 N -4.59 -0.26 -0.06 0.00 -2.24 -1.26 0.23 114.28 106.10 2dmm n THR 88 Ca 0.01 1.26 -0.10 0.00 -2.27 0.00 0.00 64.05 62.95 2dmm n THR 88 Cb 0.17 -2.01 -0.15 0.00 -2.10 0.00 0.00 70.33 66.24 2dmm n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmm n ALA 89 N -2.69 1.46 -3.65 6.98 0.00 0.27 -4.77 120.51 118.10 2dmm n ALA 89 Ca 0.22 -1.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.28 2dmm n ALA 89 Cb 0.73 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 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 -5.93 5.37 -0.24 0.00 0.01 0.64 -3.90 114.94 110.89 2dmm s ASN 90 Ca -0.09 -1.87 -0.42 0.00 -0.71 0.00 0.00 52.86 49.77 2dmm s ASN 90 Cb 0.07 -1.88 -0.18 0.00 0.41 0.00 0.00 41.25 39.67 2dmm s ASN 90 CO 0.81 -0.55 1.49 -0.67 -1.51 0.00 0.00 177.10 176.67 2dmm n ASP 91 N 4.70 1.35 -4.71 -1.22 2.03 -0.98 -4.07 116.55 113.66 2dmm n ASP 91 Ca -0.05 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.98 2dmm n ASP 91 Cb 0.42 -1.01 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 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 2.10 3.00 0.00 5.18 1.01 -1.26 -4.80 120.40 125.64 2dmm s VAL 92 Ca 0.97 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2dmm s VAL 92 Cb -1.24 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 31.70 2dmm s VAL 92 CO 0.66 0.04 0.00 -0.81 0.00 0.00 0.00 175.10 175.00 2dmm n PRO 93 N 4.22 0.28 -4.26 2.72 -0.04 -1.26 -4.95 135.00 131.70 2dmm n PRO 93 Ca 0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 2dmm n PRO 93 Cb 0.41 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.76 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 1.81 0.00 3.54 0.01 -1.26 -3.35 113.70 112.94 2dmm s SER 94 Ca 0.00 -1.04 0.15 0.00 1.31 0.00 0.00 55.95 56.37 2dmm s SER 94 Cb 0.00 -0.01 0.79 0.00 0.21 0.00 0.00 66.02 67.01 2dmm s SER 94 CO 0.00 -0.35 1.40 -0.81 0.41 0.00 0.00 173.24 173.88 2dmm n PRO 95 N -0.23 0.27 -1.14 12.44 -0.04 -1.26 -5.03 135.00 140.00 2dmm n PRO 95 Ca -0.09 0.12 -0.45 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 -1.23 0.67 -3.88 0.54 4.02 -1.21 -4.93 117.16 111.14 2dmm n TYR 96 Ca 0.08 0.79 -0.28 0.00 -0.01 0.00 0.00 57.90 58.48 2dmm n TYR 96 Cb 0.11 -1.55 -0.17 0.00 -0.02 0.00 0.00 39.34 37.71 2dmm n TYR 96 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2dmm s GLU 97 N 0.56 1.39 -0.19 -0.72 2.56 -1.26 -4.58 118.70 116.45 2dmm s GLU 97 Ca 0.69 -0.44 0.01 0.00 0.00 0.00 0.00 54.97 55.23 2dmm s GLU 97 Cb -0.97 -1.89 0.04 0.00 2.00 0.00 0.00 34.13 33.31 2dmm s GLU 97 CO 0.46 -0.41 -0.12 0.08 -0.56 0.00 0.00 175.26 174.72 2dmm s VAL 98 N 1.67 1.70 -0.14 3.70 1.01 -1.26 -4.98 120.40 122.11 2dmm s VAL 98 Ca 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2dmm s VAL 98 Cb -0.15 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 2dmm s VAL 98 CO -0.08 0.25 -0.16 -1.14 0.00 0.00 0.00 175.10 173.97 2dmm n ARG 99 N 4.68 0.31 -5.09 2.72 0.00 -1.26 -5.01 116.66 113.01 2dmm n ARG 99 Ca -0.16 0.11 -0.32 0.00 -0.00 0.00 0.00 57.85 57.49 2dmm n ARG 99 Cb 0.47 -1.08 -0.16 0.00 0.00 0.00 0.00 32.46 31.69 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 -5.26 1.39 0.18 5.14 0.00 -1.26 -5.13 107.32 102.38 2dmm s GLY 100 Ca -0.19 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.60 2dmm s GLY 100 CO 0.26 -0.31 0.33 -1.36 0.00 0.00 0.00 173.10 172.02 2dmm s PHE 101 N 0.30 3.48 0.85 1.90 0.40 -1.26 -4.16 117.98 119.49 2dmm s PHE 101 Ca -0.15 0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.22 2dmm s PHE 101 Cb -0.17 -1.70 0.10 0.00 0.51 0.00 0.00 43.02 41.76 2dmm s PHE 101 CO 0.08 0.46 1.09 -1.25 0.70 0.00 0.00 175.22 176.30 2dmm s PRO 102 N -3.41 1.62 -0.22 0.24 0.04 -1.26 -5.02 135.00 126.98 2dmm s PRO 102 Ca 0.36 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 2dmm s PRO 102 Cb -0.11 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.68 2dmm s PRO 102 CO 0.29 -2.03 0.16 0.99 0.04 0.00 0.00 177.00 176.46 2dmm s THR 103 N -2.92 -0.19 0.01 1.26 2.01 -0.29 -5.02 115.64 110.50 2dmm s THR 103 Ca 0.63 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 2dmm s THR 103 Cb -0.18 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 2dmm s THR 103 CO 0.57 -0.39 0.34 -0.63 -0.69 0.00 0.00 174.62 173.81 2dmm s ILE 104 N 2.21 5.18 0.38 1.82 1.01 -1.26 0.27 121.20 130.81 2dmm s ILE 104 Ca 0.06 0.47 0.05 0.00 0.00 0.00 0.00 60.65 61.23 2dmm s ILE 104 Cb -0.16 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2dmm s ILE 104 CO -0.20 0.44 0.20 -0.31 0.00 0.00 0.00 174.94 175.07 2dmm s TYR 105 N -1.23 1.77 -0.11 3.97 1.51 0.12 -2.50 117.35 120.87 2dmm s TYR 105 Ca 0.27 -1.48 -0.08 0.00 -1.01 0.00 0.00 57.07 54.77 2dmm s TYR 105 Cb -0.14 -0.96 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 2dmm s TYR 105 CO 0.14 -0.57 0.28 0.12 -1.11 0.00 0.00 175.55 174.41 2dmm s PHE 106 N -3.30 -0.35 -0.63 2.71 5.36 0.48 -2.81 117.98 119.43 2dmm s PHE 106 Ca 0.30 0.82 -0.10 0.00 -0.96 0.00 0.00 56.93 56.99 2dmm s PHE 106 Cb 0.02 0.10 0.16 0.00 -0.34 0.00 0.00 43.02 42.97 2dmm s PHE 106 CO 0.20 -0.20 0.53 0.45 -1.46 0.00 0.00 175.22 174.75 2dmm s SER 107 N 0.67 6.03 0.77 6.13 0.15 0.59 -1.63 113.70 126.40 2dmm s SER 107 Ca -0.04 -2.36 -0.11 0.00 0.70 0.00 0.00 55.95 54.14 2dmm s SER 107 Cb -0.06 -2.07 0.05 0.00 -1.71 0.00 0.00 66.02 62.23 2dmm s SER 107 CO -0.04 -0.61 1.09 -2.16 1.20 0.00 0.00 173.24 172.72 2dmm s PRO 108 N 0.69 2.28 -0.03 5.44 0.04 -1.26 -2.77 135.00 139.39 2dmm s PRO 108 Ca 0.12 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 2dmm s PRO 108 Cb -0.20 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2dmm s PRO 108 CO -0.04 -1.63 0.79 0.00 0.04 0.00 0.00 177.00 176.17 2dmm s ALA 109 N -2.87 3.29 -1.54 8.56 0.00 -1.26 -3.59 121.76 124.35 2dmm s ALA 109 Ca 0.62 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2dmm s ALA 109 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2dmm s ALA 109 CO 0.55 -0.11 0.00 0.09 0.00 0.00 0.00 175.76 176.29 2dmm n ASN 110 N 3.64 -4.86 -0.27 0.00 3.02 -1.26 -4.84 115.26 110.68 2dmm n ASN 110 Ca 0.01 0.19 0.03 0.00 -0.03 0.00 0.00 54.58 54.78 2dmm n ASN 110 Cb 0.51 -3.88 0.05 0.00 -0.61 0.00 0.00 39.78 35.85 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 -2.54 0.65 -0.15 3.52 5.02 -1.24 -4.90 118.16 118.53 2dmm n LYS 111 Ca -0.18 -1.53 -0.09 0.00 -2.02 0.00 0.00 58.31 54.50 2dmm n LYS 111 Cb 0.59 -0.88 -0.07 0.00 -0.02 0.00 0.00 35.03 34.65 2dmm n LYS 111 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2dmm h LYS 112 N 0.00 -0.19 -1.67 1.97 6.56 -1.89 0.43 116.57 121.78 2dmm h LYS 112 Ca 0.00 0.01 0.52 0.00 -1.06 0.00 0.00 60.65 60.12 2dmm h LYS 112 Cb 1.16 0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 32.76 2dmm h LYS 112 CO 0.00 -0.13 1.16 1.28 -2.06 0.00 0.00 179.45 179.70 2dmm n LEU 113 N -4.53 0.09 -3.67 2.94 7.99 -1.26 -3.10 117.00 115.45 2dmm n LEU 113 Ca -0.01 1.13 -0.30 0.00 -0.01 0.00 0.00 56.01 56.82 2dmm n LEU 113 Cb 0.22 -0.56 -0.15 0.00 -0.11 0.00 0.00 43.42 42.82 2dmm n LEU 113 CO -0.03 -1.19 -0.32 0.21 -1.51 0.00 0.00 177.39 174.56 2dmm s ASN 114 N -4.04 3.82 1.24 -1.43 2.47 0.15 -4.77 114.94 112.37 2dmm s ASN 114 Ca -0.06 -1.70 -0.20 0.00 0.42 0.00 0.00 52.86 51.32 2dmm s ASN 114 Cb 0.28 -0.74 0.30 0.00 -1.45 0.00 0.00 41.25 39.64 2dmm s ASN 114 CO 0.84 -0.40 1.11 -2.16 -3.72 0.00 0.00 177.10 172.77 2dmm s PRO 115 N 1.56 -1.51 -0.06 0.43 0.04 -1.17 -4.75 135.00 129.54 2dmm s PRO 115 Ca 0.11 -0.17 -0.00 0.00 0.04 0.00 0.00 61.00 60.98 2dmm s PRO 115 Cb -0.18 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.81 2dmm s PRO 115 CO -0.23 -3.89 -0.02 0.21 0.04 0.00 0.00 177.00 173.11 2dmm s LYS 116 N -5.49 0.75 0.16 4.56 2.47 -0.65 -4.99 119.74 116.56 2dmm s LYS 116 Ca 0.72 -0.02 -0.13 0.00 -1.56 0.00 0.00 55.97 54.98 2dmm s LYS 116 Cb -0.08 -0.91 -0.07 0.00 -1.46 0.00 0.00 37.83 35.31 2dmm s LYS 116 CO 0.56 -0.18 0.54 0.21 0.16 0.00 0.00 175.35 176.63 2dmm s LYS 117 N 1.39 3.92 -0.20 4.03 2.20 -1.26 0.18 119.74 130.00 2dmm s LYS 117 Ca -0.04 0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 55.74 2dmm s LYS 117 Cb -0.13 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 2dmm s LYS 117 CO -0.03 0.44 0.86 -0.47 -0.36 0.00 0.00 175.35 175.80 2dmm s TYR 118 N -1.55 3.37 -0.30 4.03 5.04 -1.04 -4.82 117.35 122.08 2dmm s TYR 118 Ca 0.40 1.25 0.03 0.00 -2.44 0.00 0.00 57.07 56.30 2dmm s TYR 118 Cb -0.14 -3.06 0.08 0.00 0.35 0.00 0.00 41.96 39.19 2dmm s TYR 118 CO 0.20 -0.33 -0.00 -1.21 -1.34 0.00 0.00 175.55 172.86 2dmm s GLU 119 N 2.54 1.61 0.00 4.97 2.02 -1.26 -4.75 118.70 123.82 2dmm s GLU 119 Ca 0.38 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2dmm s GLU 119 Cb -0.16 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2dmm s GLU 119 CO 0.10 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.99 2dmm n GLY 120 N 4.43 -1.33 3.76 -1.39 0.00 -1.26 -5.14 105.19 104.26 2dmm n GLY 120 Ca -0.04 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 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 3.01 0.00 -0.02 0.00 -1.26 -4.91 107.32 104.14 2dmm s GLY 121 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 2dmm s GLY 121 CO 0.00 1.30 2.75 0.54 0.00 0.00 0.00 173.10 177.69 2dmm n ARG 122 N 1.04 1.46 -3.87 2.90 3.00 -1.26 -4.59 116.66 115.34 2dmm n ARG 122 Ca -0.00 -0.62 -0.35 0.00 -0.01 0.00 0.00 57.85 56.87 2dmm n ARG 122 Cb 0.47 -1.70 -0.09 0.00 0.00 0.00 0.00 32.46 31.14 2dmm n ARG 122 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2dmm s GLU 123 N 1.04 4.06 0.16 5.56 2.12 -1.26 -4.92 118.70 125.46 2dmm s GLU 123 Ca 0.41 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.33 2dmm s GLU 123 Cb 0.20 -3.32 0.16 0.00 0.26 0.00 0.00 34.13 31.43 2dmm s GLU 123 CO 0.00 0.26 1.07 -0.11 -0.54 0.00 0.00 175.26 175.94 2dmm n LEU 124 N 3.60 -0.45 -0.08 2.70 -0.00 -1.26 0.15 117.00 121.66 2dmm n LEU 124 Ca -0.16 1.20 -0.09 0.00 -0.00 0.00 0.00 56.01 56.95 2dmm n LEU 124 Cb 0.52 -0.27 -0.02 0.00 -0.00 0.00 0.00 43.42 43.64 2dmm n LEU 124 CO 0.36 -1.08 0.97 -1.28 -0.00 0.00 0.00 177.39 176.36 2dmm h SER 125 N 0.00 0.33 -0.96 1.96 0.87 -1.94 -2.54 113.55 111.28 2dmm h SER 125 Ca 0.24 -0.04 0.30 0.00 -1.23 0.00 0.00 61.79 61.05 2dmm h SER 125 Cb 0.41 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 62.13 2dmm h SER 125 CO -0.68 0.28 0.41 -0.78 -0.53 0.00 0.00 176.83 175.53 2dmm h ASP 126 N 0.36 0.25 -0.26 6.23 1.82 0.11 0.37 116.42 125.30 2dmm h ASP 126 Ca 0.10 0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.87 2dmm h ASP 126 Cb 0.00 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2dmm h ASP 126 CO -0.02 -0.18 -0.12 -0.26 -1.61 0.00 0.00 179.24 177.04 2dmm h PHE 127 N 0.24 0.63 0.26 0.28 0.04 -0.97 0.44 116.94 117.86 2dmm h PHE 127 Ca 0.67 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 61.28 2dmm h PHE 127 Cb 1.49 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 39.49 2dmm h PHE 127 CO -0.13 0.80 -0.16 0.82 -0.60 0.00 0.00 178.31 179.04 2dmm h ILE 128 N 0.28 0.66 -0.64 -0.55 2.04 -0.14 -0.95 117.51 118.21 2dmm h ILE 128 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2dmm h ILE 128 Cb 0.63 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2dmm h ILE 128 CO 0.04 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.99 2dmm h SER 129 N -0.41 1.03 0.10 1.72 0.87 -0.95 -0.23 113.55 115.68 2dmm h SER 129 Ca -0.02 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2dmm h SER 129 Cb 0.34 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2dmm h SER 129 CO 0.02 1.03 -0.18 0.22 -0.53 0.00 0.00 176.83 177.39 2dmm h TYR 130 N 0.99 -0.48 -0.39 2.24 3.20 -0.68 -2.86 116.97 118.99 2dmm h TYR 130 Ca 0.19 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2dmm h TYR 130 Cb 0.46 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2dmm h TYR 130 CO 0.03 -0.27 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.13 2dmm h LEU 131 N -0.35 0.75 -0.85 2.82 3.38 -1.11 -1.00 115.31 118.94 2dmm h LEU 131 Ca 0.03 -0.35 0.36 0.00 0.09 0.00 0.00 57.88 58.00 2dmm h LEU 131 Cb 0.37 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 2dmm h LEU 131 CO -0.11 0.93 0.45 0.00 0.09 0.00 0.00 178.44 179.81 2dmm n GLN 132 N -4.37 -0.05 -0.07 1.13 6.02 -0.10 0.28 117.38 120.22 2dmm n GLN 132 Ca -0.01 1.17 -0.07 0.00 -0.01 0.00 0.00 57.00 58.08 2dmm n GLN 132 Cb 0.34 -2.10 -0.02 0.00 1.02 0.00 0.00 30.24 29.48 2dmm n GLN 132 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dmm n ARG 133 N -4.92 0.44 -0.32 -1.09 1.74 -1.16 -4.57 116.66 106.78 2dmm n ARG 133 Ca 0.32 0.20 -0.03 0.00 -0.77 0.00 0.00 57.85 57.58 2dmm n ARG 133 Cb 1.09 -1.30 0.03 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.83 -0.06 -6.42 5.56 4.39 -0.82 -3.40 114.58 112.99 2dmm h GLU 134 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 2dmm h GLU 134 Cb 0.80 0.01 0.07 0.00 -0.10 0.00 0.00 28.75 29.53 2dmm h GLU 134 CO 0.00 -0.04 0.55 0.00 -1.16 0.00 0.00 179.01 178.36 2dmm n ALA 135 N -3.35 0.19 -0.54 3.43 0.00 0.14 -4.93 120.51 115.46 2dmm n ALA 135 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2dmm n ALA 135 Cb 0.38 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 2.42 0.00 -0.00 0.00 -2.24 -1.26 -3.82 114.28 109.38 2dmm n THR 136 Ca 0.16 1.23 -0.12 0.00 -2.27 0.00 0.00 64.05 63.05 2dmm n THR 136 Cb 0.26 -2.17 -0.08 0.00 -2.10 0.00 0.00 70.33 66.24 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 -1.37 -2.37 3.42 0.87 -1.94 -3.49 113.55 108.67 2dmm h SER 137 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 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 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 176.52 2dmm n GLY 138 N -1.35 1.29 0.00 5.77 0.00 -1.25 -4.71 105.19 104.94 2dmm n GLY 138 Ca -0.05 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 1.46 0.49 -0.99 1.61 -0.04 -1.26 -4.87 135.00 131.39 2dmm n PRO 139 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2dmm n PRO 139 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.86 0.64 -3.96 3.54 3.41 -1.26 -4.89 113.62 110.25 2dmm n SER 140 Ca 0.08 0.61 -0.31 0.00 -0.26 0.00 0.00 58.87 58.99 2dmm n SER 140 Cb 0.04 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 63.24 2dmm n SER 140 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmm s SER 141 N 3.17 4.26 0.00 4.04 1.04 -1.26 -5.21 113.70 119.74 2dmm s SER 141 Ca 0.77 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2dmm s SER 141 Cb -1.01 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2dmm s SER 141 CO 0.49 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.02