#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmm n SER 2 N 0.00 5.19 -3.47 1.61 7.64 -1.26 -5.02 113.62 118.32 2dmm n SER 2 Ca 0.00 -3.75 -0.13 0.00 1.01 0.00 0.00 58.87 56.00 2dmm n SER 2 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 2dmm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmm s SER 3 N -3.37 -0.55 -0.03 6.43 0.15 -1.26 -5.17 113.70 109.90 2dmm s SER 3 Ca 0.52 0.21 0.04 0.00 0.70 0.00 0.00 55.95 57.42 2dmm s SER 3 Cb 0.42 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 65.25 2dmm s SER 3 CO -0.03 -0.78 -0.15 -0.83 1.20 0.00 0.00 173.24 172.65 2dmm s GLY 4 N -2.20 0.82 -0.04 9.45 0.00 -1.26 -5.13 107.32 108.95 2dmm s GLY 4 Ca -0.02 -0.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 2dmm s GLY 4 CO -0.06 -0.36 0.87 -1.35 0.00 0.00 0.00 173.10 172.20 2dmm s SER 5 N -0.04 -0.42 -0.16 1.64 1.04 -1.26 -5.15 113.70 109.34 2dmm s SER 5 Ca -0.01 0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 2dmm s SER 5 Cb -0.10 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.46 2dmm s SER 5 CO 0.01 -0.56 -0.04 -0.44 0.98 0.00 0.00 173.24 173.19 2dmm s SER 6 N -1.92 2.71 0.00 7.02 0.01 -1.26 -5.09 113.70 115.17 2dmm s SER 6 Ca 0.00 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2dmm s SER 6 Cb -0.01 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.38 2dmm s SER 6 CO -0.04 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2dmm n GLY 7 N 4.92 0.39 1.18 3.44 0.00 -1.26 -5.09 105.19 108.77 2dmm n GLY 7 Ca -0.11 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2dmm n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dmm n PHE 8 N 0.00 -0.33 -0.10 1.61 3.01 -1.26 -4.97 117.46 115.43 2dmm n PHE 8 Ca 0.00 0.06 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 2dmm n PHE 8 Cb 0.00 0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.51 2dmm n PHE 8 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2dmm n ASP 9 N -3.44 1.90 -1.35 4.37 8.00 -1.26 -5.11 116.55 119.67 2dmm n ASP 9 Ca 0.00 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2dmm n ASP 9 Cb 0.05 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 2dmm n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmm n GLY 10 N 1.46 -2.60 3.50 0.44 0.00 -1.26 -4.98 105.19 101.75 2dmm n GLY 10 Ca -0.21 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2dmm n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmm s ASN 11 N 0.00 6.31 -0.26 1.61 3.84 -1.26 -4.88 114.94 120.29 2dmm s ASN 11 Ca 0.00 -0.51 0.09 0.00 0.21 0.00 0.00 52.86 52.65 2dmm s ASN 11 Cb 0.00 -2.37 0.45 0.00 -0.55 0.00 0.00 41.25 38.78 2dmm s ASN 11 CO 0.00 -1.03 1.28 0.00 -2.79 0.00 0.00 177.10 174.56 2dmm n LEU 12 N 6.82 3.76 -4.85 3.21 -0.00 -1.26 -5.03 117.00 119.65 2dmm n LEU 12 Ca -0.01 -4.14 -0.37 0.00 -0.00 0.00 0.00 56.01 51.49 2dmm n LEU 12 Cb 0.47 -0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 43.32 2dmm n LEU 12 CO 0.59 1.58 -0.07 -1.59 -0.00 0.00 0.00 177.39 177.90 2dmm s LYS 13 N -3.36 3.66 -0.29 1.47 0.00 -1.26 -3.33 119.74 116.63 2dmm s LYS 13 Ca 0.44 0.05 -0.16 0.00 0.00 0.00 0.00 55.97 56.30 2dmm s LYS 13 Cb 0.39 -3.22 0.15 0.00 0.00 0.00 0.00 37.83 35.15 2dmm s LYS 13 CO -0.03 0.70 0.97 0.50 0.00 0.00 0.00 175.35 177.50 2dmm s ARG 14 N -0.91 0.37 -0.08 1.78 6.06 -1.26 -4.98 118.95 119.94 2dmm s ARG 14 Ca 0.18 0.67 -0.28 0.00 -2.50 0.00 0.00 55.73 53.80 2dmm s ARG 14 Cb -0.14 0.10 0.06 0.00 0.06 0.00 0.00 34.95 35.04 2dmm s ARG 14 CO 0.07 -0.08 0.63 1.52 -2.50 0.00 0.00 175.30 174.93 2dmm s TYR 15 N 1.42 -0.61 -0.14 5.12 1.13 -1.26 -3.98 117.35 119.03 2dmm s TYR 15 Ca -0.09 1.12 -0.01 0.00 -1.41 0.00 0.00 57.07 56.68 2dmm s TYR 15 Cb -0.04 0.34 -0.24 0.00 -1.10 0.00 0.00 41.96 40.92 2dmm s TYR 15 CO -0.15 -0.54 0.28 1.47 -2.51 0.00 0.00 175.55 174.10 2dmm n LEU 16 N 1.26 2.36 -4.75 -3.49 -0.00 -1.26 -4.99 117.00 106.13 2dmm n LEU 16 Ca -0.18 0.16 -0.28 0.00 -0.00 0.00 0.00 56.01 55.70 2dmm n LEU 16 Cb 0.57 -0.84 -0.07 0.00 -0.00 0.00 0.00 43.42 43.08 2dmm n LEU 16 CO 0.21 0.80 -0.18 -1.59 -0.00 0.00 0.00 177.39 176.62 2dmm s LYS 17 N -2.55 2.17 -0.00 1.47 -2.85 -1.26 -5.05 119.74 111.67 2dmm s LYS 17 Ca -0.22 -2.11 -0.29 0.00 -1.00 0.00 0.00 55.97 52.34 2dmm s LYS 17 Cb 0.07 -1.79 0.10 0.00 -2.06 0.00 0.00 37.83 34.16 2dmm s LYS 17 CO 0.75 -0.28 1.08 -1.54 0.10 0.00 0.00 175.35 175.46 2dmm s SER 18 N -3.93 -0.18 0.27 0.03 1.04 -1.25 -3.64 113.70 106.04 2dmm s SER 18 Ca 0.27 -0.15 0.10 0.00 0.48 0.00 0.00 55.95 56.64 2dmm s SER 18 Cb 0.03 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2dmm s SER 18 CO 0.15 -0.54 -0.02 -1.61 0.98 0.00 0.00 173.24 172.21 2dmm s GLU 19 N -2.83 2.25 0.44 4.02 0.41 -1.26 -4.81 118.70 116.91 2dmm s GLU 19 Ca 0.10 -1.45 -0.24 0.00 -0.41 0.00 0.00 54.97 52.98 2dmm s GLU 19 Cb 0.00 -2.13 -0.08 0.00 -1.78 0.00 0.00 34.13 30.15 2dmm s GLU 19 CO -0.03 0.35 1.17 -1.25 -0.49 0.00 0.00 175.26 175.01 2dmm s PRO 20 N -3.67 3.83 0.21 0.39 0.04 -1.26 -4.50 135.00 130.05 2dmm s PRO 20 Ca 0.31 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 2dmm s PRO 20 Cb -0.06 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 2dmm s PRO 20 CO 0.20 -0.50 1.31 0.42 0.04 0.00 0.00 177.00 178.47 2dmm s ILE 21 N -1.51 3.16 0.27 0.56 -1.09 -1.26 -4.97 121.20 116.37 2dmm s ILE 21 Ca 0.62 0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 59.72 2dmm s ILE 21 Cb -0.29 -3.62 -0.10 0.00 -1.58 0.00 0.00 42.46 36.87 2dmm s ILE 21 CO 0.36 0.15 1.25 -2.16 -1.23 0.00 0.00 174.94 173.32 2dmm s PRO 22 N -0.28 4.44 0.20 2.79 0.04 -1.26 -4.95 135.00 135.99 2dmm s PRO 22 Ca 0.56 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.70 2dmm s PRO 22 Cb -0.37 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.15 2dmm s PRO 22 CO 0.39 -0.11 1.47 1.05 0.04 0.00 0.00 177.00 179.84 2dmm h GLU 23 N 4.20 0.17 -4.03 4.56 4.11 -2.02 -3.41 114.58 118.17 2dmm h GLU 23 Ca -0.47 -0.16 -0.59 0.00 0.07 0.00 0.00 59.36 58.22 2dmm h GLU 23 Cb 1.22 0.04 -0.39 0.00 0.50 0.00 0.00 28.75 30.11 2dmm h GLU 23 CO 0.70 0.85 -0.77 0.45 0.07 0.00 0.00 179.01 180.31 2dmm s SER 24 N -6.89 3.80 -0.56 3.06 0.15 -1.26 -5.00 113.70 106.99 2dmm s SER 24 Ca -0.03 -1.32 0.02 0.00 0.70 0.00 0.00 55.95 55.33 2dmm s SER 24 Cb 0.11 -1.03 0.41 0.00 -1.71 0.00 0.00 66.02 63.81 2dmm s SER 24 CO 0.81 -0.31 1.53 -3.20 1.20 0.00 0.00 173.24 173.26 2dmm n ASN 25 N 4.75 6.01 -2.65 5.45 2.85 -1.26 -4.76 115.26 125.64 2dmm n ASN 25 Ca -0.07 -3.77 -0.33 0.00 -0.11 0.00 0.00 54.58 50.30 2dmm n ASN 25 Cb 0.44 -0.69 0.02 0.00 1.24 0.00 0.00 39.78 40.79 2dmm n ASN 25 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2dmm n ASP 26 N -0.61 6.00 -0.47 1.20 8.00 -1.26 -4.88 116.55 124.53 2dmm n ASP 26 Ca 0.48 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 52.20 2dmm n ASP 26 Cb 0.60 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.52 5.55 0.09 0.44 0.00 -1.26 -5.06 105.19 104.42 2dmm n GLY 27 Ca 0.46 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 0.17 -4.93 1.61 0.13 -1.89 -3.43 132.00 123.65 2dmm h PRO 28 Ca 0.00 -0.09 -0.67 0.00 -0.87 0.00 0.00 66.00 64.37 2dmm h PRO 28 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2dmm h PRO 28 CO 0.00 0.61 -0.76 0.08 -0.23 0.00 0.00 178.00 177.69 2dmm s VAL 29 N -4.28 2.76 0.05 1.56 1.01 -1.26 -3.77 120.40 116.47 2dmm s VAL 29 Ca -0.15 -1.00 -0.33 0.00 0.00 0.00 0.00 61.98 60.51 2dmm s VAL 29 Cb 0.03 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.93 2dmm s VAL 29 CO 0.71 0.26 1.82 0.29 0.00 0.00 0.00 175.10 178.18 2dmm n LYS 30 N 4.66 2.49 -2.44 2.72 4.76 -0.21 -4.54 118.16 125.59 2dmm n LYS 30 Ca -0.17 0.91 -0.43 0.00 -2.87 0.00 0.00 58.31 55.75 2dmm n LYS 30 Cb 0.47 -2.77 -0.02 0.00 -1.84 0.00 0.00 35.03 30.87 2dmm n LYS 30 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dmm s VAL 31 N 3.04 4.00 -0.21 -0.18 1.01 -1.26 -0.07 120.40 126.73 2dmm s VAL 31 Ca 0.86 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.78 2dmm s VAL 31 Cb -0.58 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 2dmm s VAL 31 CO 0.43 -0.89 0.03 -0.69 0.00 0.00 0.00 175.10 173.98 2dmm s VAL 32 N 5.14 4.15 0.08 2.92 1.01 0.93 -4.85 120.40 129.78 2dmm s VAL 32 Ca 0.56 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.39 2dmm s VAL 32 Cb -0.11 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2dmm s VAL 32 CO 0.32 0.41 -0.25 0.68 0.00 0.00 0.00 175.10 176.26 2dmm s VAL 33 N 1.10 2.35 0.20 2.92 -7.23 -1.26 -4.19 120.40 114.28 2dmm s VAL 33 Ca 0.03 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2dmm s VAL 33 Cb -0.14 -1.99 0.25 0.00 0.56 0.00 0.00 36.38 35.06 2dmm s VAL 33 CO 0.02 0.23 0.97 0.00 -0.31 0.00 0.00 175.10 176.02 2dmm n ALA 34 N 1.32 0.38 -0.11 1.32 0.00 -1.26 0.21 120.51 122.37 2dmm n ALA 34 Ca -0.17 0.66 -0.05 0.00 0.00 0.00 0.00 53.44 53.88 2dmm n ALA 34 Cb 0.52 -0.52 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 0.02 -0.63 0.00 5.08 -1.90 -2.52 114.58 114.63 2dmm h GLU 35 Ca 0.41 -0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.34 2dmm h GLU 35 Cb 0.90 -0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.88 2dmm h GLU 35 CO -0.56 0.01 -0.19 0.27 -1.00 0.00 0.00 179.01 177.54 2dmm n ASN 36 N -5.27 4.44 0.11 1.42 6.94 0.55 -4.74 115.26 118.71 2dmm n ASN 36 Ca 0.02 -3.78 -0.07 0.00 -0.02 0.00 0.00 54.58 50.72 2dmm n ASN 36 Cb 0.20 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 37.00 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 1.66 -0.35 0.00 -2.53 3.04 0.40 -2.87 116.94 116.30 2dmm h PHE 37 Ca 0.35 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.30 2dmm h PHE 37 Cb 1.43 0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.06 2dmm h PHE 37 CO 1.05 -0.16 0.00 -3.47 -2.02 0.00 0.00 178.31 173.71 2dmm n ASP 38 N -5.02 0.00 -0.01 0.41 -0.08 -1.26 -0.04 116.55 110.55 2dmm n ASP 38 Ca -0.05 0.13 -0.22 0.00 -1.51 0.00 0.00 54.79 53.14 2dmm n ASP 38 Cb 0.18 -0.26 -0.14 0.00 2.34 0.00 0.00 41.12 43.24 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2dmm h GLU 39 N 0.00 0.22 0.00 -0.67 4.57 -1.79 -3.34 114.58 113.57 2dmm h GLU 39 Ca 0.00 -0.37 -0.26 0.00 -1.18 0.00 0.00 59.36 57.55 2dmm h GLU 39 Cb 0.07 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2dmm h GLU 39 CO 0.00 1.18 -1.83 -0.89 -1.18 0.00 0.00 179.01 176.29 2dmm n ILE 40 N -3.86 1.51 0.24 2.32 5.41 -0.94 -4.68 119.36 119.36 2dmm n ILE 40 Ca -0.28 -0.15 -0.15 0.00 1.00 0.00 0.00 62.75 63.17 2dmm n ILE 40 Cb 0.92 -2.08 -0.08 0.00 -0.71 0.00 0.00 39.64 37.68 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 -2.77 1.39 2.07 -0.68 -3.40 116.25 111.85 2dmm h VAL 41 Ca -0.40 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.57 2dmm h VAL 41 Cb 1.33 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2dmm h VAL 41 CO -0.24 0.00 0.96 0.20 0.02 0.00 0.00 177.57 178.51 2dmm s ASN 42 N -3.93 6.78 -0.30 0.57 0.01 -1.19 -4.79 114.94 112.08 2dmm s ASN 42 Ca -0.14 2.10 -0.12 0.00 -0.71 0.00 0.00 52.86 53.99 2dmm s ASN 42 Cb 0.03 -2.55 0.18 0.00 0.41 0.00 0.00 41.25 39.33 2dmm s ASN 42 CO 0.48 -0.82 1.04 0.21 -1.51 0.00 0.00 177.10 176.50 2dmm s ASN 43 N 2.52 -0.46 -0.23 -1.22 3.84 -1.26 -4.56 114.94 113.57 2dmm s ASN 43 Ca 0.66 0.17 -0.00 0.00 0.21 0.00 0.00 52.86 53.90 2dmm s ASN 43 Cb -0.31 1.34 0.17 0.00 -0.55 0.00 0.00 41.25 41.91 2dmm s ASN 43 CO 0.26 -0.09 1.93 -0.62 -2.79 0.00 0.00 177.10 175.79 2dmm n GLU 44 N 5.32 1.59 0.00 0.43 1.02 -1.26 -3.75 120.64 123.99 2dmm n GLU 44 Ca 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.96 2dmm n GLU 44 Cb 0.55 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2dmm n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2dmm n ASN 45 N 0.53 1.60 -4.20 1.62 5.15 -1.26 -4.27 115.26 114.43 2dmm n ASN 45 Ca 0.23 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 54.02 2dmm n ASN 45 Cb 0.60 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.74 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 -1.48 0.91 -0.01 1.20 -2.85 -1.25 -5.02 119.74 111.24 2dmm s LYS 46 Ca 0.00 -1.07 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 2dmm s LYS 46 Cb 0.00 -0.89 -0.04 0.00 -2.06 0.00 0.00 37.83 34.84 2dmm s LYS 46 CO 0.00 0.19 1.18 -0.51 0.10 0.00 0.00 175.35 176.31 2dmm s ASP 47 N -1.99 7.09 0.02 0.03 1.01 -1.01 -4.66 116.67 117.16 2dmm s ASP 47 Ca 0.02 1.86 0.06 0.00 0.71 0.00 0.00 52.55 55.20 2dmm s ASP 47 Cb -0.08 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2dmm s ASP 47 CO 0.03 -0.51 -0.19 -0.69 0.21 0.00 0.00 175.17 174.02 2dmm s VAL 48 N 1.73 1.48 -0.13 -1.27 1.01 -0.92 -1.11 120.40 121.19 2dmm s VAL 48 Ca 0.56 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2dmm s VAL 48 Cb -0.26 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2dmm s VAL 48 CO 0.25 0.24 -0.21 -0.22 0.00 0.00 0.00 175.10 175.16 2dmm s LEU 49 N -0.89 2.18 -0.09 3.92 2.96 -1.02 0.24 118.68 125.97 2dmm s LEU 49 Ca 0.06 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2dmm s LEU 49 Cb -0.08 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2dmm s LEU 49 CO 0.01 0.11 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.52 2dmm s ILE 50 N 0.66 3.24 -0.16 6.68 1.10 0.94 -1.46 121.20 132.21 2dmm s ILE 50 Ca -0.10 -0.63 0.00 0.00 -0.51 0.00 0.00 60.65 59.41 2dmm s ILE 50 Cb -0.16 -2.32 0.03 0.00 0.15 0.00 0.00 42.46 40.15 2dmm s ILE 50 CO 0.02 0.56 -0.12 -0.70 -2.11 0.00 0.00 174.94 172.59 2dmm s GLU 51 N -0.27 2.11 -0.15 3.50 -6.30 -1.13 -0.03 118.70 116.45 2dmm s GLU 51 Ca 0.02 -0.59 -0.17 0.00 -2.50 0.00 0.00 54.97 51.73 2dmm s GLU 51 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 34.13 31.84 2dmm s GLU 51 CO 0.03 -0.29 0.43 -0.06 0.02 0.00 0.00 175.26 175.39 2dmm s PHE 52 N 1.50 3.47 0.30 5.30 0.08 0.20 -1.32 117.98 127.51 2dmm s PHE 52 Ca 0.03 0.78 0.03 0.00 0.12 0.00 0.00 56.93 57.89 2dmm s PHE 52 Cb -0.14 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 2dmm s PHE 52 CO -0.10 0.13 0.16 1.52 -0.10 0.00 0.00 175.22 176.83 2dmm s TYR 53 N 0.79 1.57 -0.03 0.36 -0.85 -1.12 -2.13 117.35 115.95 2dmm s TYR 53 Ca 0.23 -1.37 0.02 0.00 -0.52 0.00 0.00 57.07 55.43 2dmm s TYR 53 Cb -0.15 -0.84 0.01 0.00 0.38 0.00 0.00 41.96 41.36 2dmm s TYR 53 CO 0.09 -0.53 -0.09 0.00 -1.52 0.00 0.00 175.55 173.50 2dmm s ALA 54 N -3.64 0.87 -1.21 9.51 0.00 -1.26 -3.57 121.76 122.45 2dmm s ALA 54 Ca 0.36 -0.31 0.14 0.00 0.00 0.00 0.00 51.96 52.15 2dmm s ALA 54 Cb 0.05 -0.34 0.67 0.00 0.00 0.00 0.00 23.12 23.50 2dmm s ALA 54 CO 0.17 0.13 1.43 -0.35 0.00 0.00 0.00 175.76 177.14 2dmm n PRO 55 N 3.38 0.10 -0.55 0.00 -0.04 -1.26 -2.34 135.00 134.29 2dmm n PRO 55 Ca -0.19 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2dmm n PRO 55 Cb 0.54 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.39 0.00 -3.93 0.54 4.27 -1.26 -4.97 117.44 110.70 2dmm n TRP 56 Ca 0.05 -1.14 -0.30 0.00 -3.89 0.00 0.00 57.50 52.22 2dmm n TRP 56 Cb 0.14 -0.20 -0.15 0.00 -1.36 0.00 0.00 31.31 29.74 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 7.89 -1.56 -0.77 0.00 0.00 -1.93 -0.60 103.07 106.11 2dmm h GLY 58 Ca -0.14 0.78 0.23 0.00 0.00 0.00 0.00 47.33 48.19 2dmm h GLY 58 CO 0.45 -0.49 0.08 1.42 0.00 0.00 0.00 176.54 178.00 2dmm n HIS 59 N -3.75 0.55 0.03 5.60 8.25 -1.26 0.13 115.22 124.78 2dmm n HIS 59 Ca -0.02 0.92 -0.12 0.00 -0.26 0.00 0.00 57.72 58.24 2dmm n HIS 59 Cb 0.14 -1.12 -0.08 0.00 1.12 0.00 0.00 29.99 30.05 2dmm n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dmm h LYS 61 N -0.21 0.58 0.00 0.00 1.79 0.22 0.41 116.57 119.35 2dmm h LYS 61 Ca -0.00 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 2dmm h LYS 61 Cb 0.20 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2dmm h LYS 61 CO 0.00 0.38 -0.44 -0.97 -1.08 0.00 0.00 179.45 177.34 2dmm h ASN 62 N 0.59 0.00 0.70 0.86 -0.73 -0.95 -3.07 115.58 112.99 2dmm h ASN 62 Ca 0.50 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 58.41 2dmm h ASN 62 Cb 0.97 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 2dmm h ASN 62 CO -0.24 0.44 -1.29 0.25 -0.37 0.00 0.00 177.43 176.22 2dmm h LEU 63 N 0.00 0.20 -0.70 0.34 5.85 0.14 -3.34 115.31 117.81 2dmm h LEU 63 Ca -0.00 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.54 2dmm h LEU 63 Cb 0.91 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.78 2dmm h LEU 63 CO 0.06 1.20 -0.37 1.21 -0.34 0.00 0.00 178.44 180.20 2dmm n GLU 64 N -3.38 -0.26 0.01 1.25 2.13 0.56 0.10 120.64 121.05 2dmm n GLU 64 Ca -0.09 1.06 -0.07 0.00 0.66 0.00 0.00 57.16 58.72 2dmm n GLU 64 Cb 1.00 -1.56 0.11 0.00 0.27 0.00 0.00 31.44 31.26 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 0.52 0.00 5.31 0.13 -1.74 0.13 132.00 136.35 2dmm h PRO 65 Ca 0.15 -0.28 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 2dmm h PRO 65 Cb 0.33 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2dmm h PRO 65 CO -0.67 0.86 -0.21 0.87 -0.23 0.00 0.00 178.00 178.62 2dmm h LYS 66 N 0.42 0.00 0.07 0.86 1.57 0.56 -2.93 116.57 117.12 2dmm h LYS 66 Ca 0.03 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.44 2dmm h LYS 66 Cb 0.93 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2dmm h LYS 66 CO 0.08 0.21 -2.11 0.98 -0.57 0.00 0.00 179.45 178.04 2dmm n TYR 67 N -3.98 0.78 -0.13 -1.35 9.36 0.19 -3.99 117.16 118.04 2dmm n TYR 67 Ca -0.02 0.19 -0.10 0.00 3.32 0.00 0.00 57.90 61.29 2dmm n TYR 67 Cb 0.29 -1.10 -0.05 0.00 -0.63 0.00 0.00 39.34 37.85 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 -0.12 -0.31 -0.98 2.98 3.64 -0.68 -0.42 116.57 120.68 2dmm h LYS 68 Ca -0.48 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2dmm h LYS 68 Cb 1.90 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 33.60 2dmm h LYS 68 CO -0.03 -0.21 -0.12 0.93 -2.27 0.00 0.00 179.45 177.75 2dmm h GLU 69 N -0.32 0.01 -1.00 1.90 5.08 -1.73 1.10 114.58 119.61 2dmm h GLU 69 Ca 0.14 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.67 2dmm h GLU 69 Cb 0.58 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 2dmm h GLU 69 CO -0.59 0.00 0.62 1.25 -1.00 0.00 0.00 179.01 179.29 2dmm h LEU 70 N 0.01 0.81 -0.10 1.33 5.85 -1.28 0.80 115.31 122.73 2dmm h LEU 70 Ca 0.52 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 2dmm h LEU 70 Cb 0.94 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2dmm h LEU 70 CO -0.97 0.33 0.02 1.23 -0.34 0.00 0.00 178.44 178.71 2dmm h GLY 71 N 0.81 0.17 2.00 3.75 0.00 0.14 0.19 103.07 110.13 2dmm h GLY 71 Ca 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 2dmm h GLY 71 CO -0.34 0.10 -0.15 1.05 0.00 0.00 0.00 176.54 177.21 2dmm h GLU 72 N -0.06 0.00 0.00 4.80 4.11 -0.87 -2.14 114.58 120.42 2dmm h GLU 72 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 2dmm h GLU 72 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dmm h GLU 72 CO 0.00 0.15 -0.00 0.87 0.07 0.00 0.00 179.01 180.10 2dmm h LYS 73 N 0.00 -0.00 0.00 1.06 1.79 0.78 -3.28 116.57 116.92 2dmm h LYS 73 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2dmm h LYS 73 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2dmm h LYS 73 CO 0.02 0.92 0.00 1.28 -1.08 0.00 0.00 179.45 180.59 2dmm n LEU 74 N -4.63 0.00 -0.62 2.94 4.77 0.64 -3.99 117.00 116.11 2dmm n LEU 74 Ca -0.09 0.10 0.47 0.00 -0.03 0.00 0.00 56.01 56.46 2dmm n LEU 74 Cb 0.44 -0.10 0.72 0.00 -2.33 0.00 0.00 43.42 42.16 2dmm n LEU 74 CO 0.32 -0.01 1.34 -0.24 -1.33 0.00 0.00 177.39 177.46 2dmm n SER 75 N -1.10 0.00 -1.42 -1.43 2.88 -0.80 0.27 113.62 112.02 2dmm n SER 75 Ca 0.18 0.89 -0.08 0.00 -1.33 0.00 0.00 58.87 58.52 2dmm n SER 75 Cb 0.14 -0.44 0.07 0.00 -0.75 0.00 0.00 64.21 63.23 2dmm n SER 75 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dmm n LYS 76 N -3.69 1.49 -3.41 -1.46 5.02 -1.26 -4.75 118.16 110.09 2dmm n LYS 76 Ca 0.39 -1.07 -0.44 0.00 -2.02 0.00 0.00 58.31 55.17 2dmm n LYS 76 Cb 1.81 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 2dmm n LYS 76 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2dmm s ASP 77 N 0.16 6.20 0.00 4.39 1.47 0.78 -4.90 116.67 124.77 2dmm s ASP 77 Ca 0.20 -2.27 0.15 0.00 1.18 0.00 0.00 52.55 51.82 2dmm s ASP 77 Cb 0.17 -2.13 0.84 0.00 -0.34 0.00 0.00 42.92 41.46 2dmm s ASP 77 CO 0.04 -0.67 1.38 -0.81 0.68 0.00 0.00 175.17 175.79 2dmm n PRO 78 N 4.51 0.35 0.00 2.11 -0.04 -1.26 -3.42 135.00 137.25 2dmm n PRO 78 Ca -0.00 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2dmm n PRO 78 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.14 1.77 -4.83 3.54 3.02 -1.26 -5.05 115.26 111.30 2dmm n ASN 79 Ca 0.09 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 2dmm n ASN 79 Cb 0.09 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.99 4.67 -0.24 2.41 1.01 -1.22 -2.41 121.20 123.43 2dmm s ILE 80 Ca 0.00 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.72 2dmm s ILE 80 Cb 0.00 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.76 2dmm s ILE 80 CO 0.00 0.16 0.08 -0.69 0.00 0.00 0.00 174.94 174.49 2dmm s VAL 81 N -1.57 0.47 0.09 2.92 1.01 -0.27 -4.60 120.40 118.46 2dmm s VAL 81 Ca 0.43 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 2dmm s VAL 81 Cb -0.15 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 2dmm s VAL 81 CO 0.20 -0.45 1.21 -0.63 0.00 0.00 0.00 175.10 175.43 2dmm s ILE 82 N 1.85 3.89 0.09 2.22 -1.09 -1.26 -2.44 121.20 124.45 2dmm s ILE 82 Ca 0.04 1.40 -0.07 0.00 -2.23 0.00 0.00 60.65 59.78 2dmm s ILE 82 Cb -0.17 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2dmm s ILE 82 CO -0.19 0.13 0.17 0.00 -1.23 0.00 0.00 174.94 173.82 2dmm s ALA 83 N 0.84 -0.08 0.14 9.38 0.00 -0.54 -1.04 121.76 130.46 2dmm s ALA 83 Ca 0.58 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2dmm s ALA 83 Cb -0.31 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2dmm s ALA 83 CO 0.31 -0.50 -0.09 -1.59 0.00 0.00 0.00 175.76 173.89 2dmm s LYS 84 N -3.88 1.03 -0.16 0.00 -2.85 0.90 -2.82 119.74 111.94 2dmm s LYS 84 Ca 0.07 -1.44 -0.10 0.00 -1.00 0.00 0.00 55.97 53.50 2dmm s LYS 84 Cb 0.05 -0.53 0.05 0.00 -2.06 0.00 0.00 37.83 35.35 2dmm s LYS 84 CO -0.10 0.04 0.41 1.41 0.10 0.00 0.00 175.35 177.21 2dmm s MET 85 N -3.77 0.41 -1.03 1.78 1.75 -0.43 -0.05 119.30 117.95 2dmm s MET 85 Ca 0.16 0.73 -0.16 0.00 -1.25 0.00 0.00 55.69 55.18 2dmm s MET 85 Cb 0.03 0.03 0.16 0.00 2.84 0.00 0.00 34.83 37.90 2dmm s MET 85 CO -0.00 -0.13 1.19 0.34 -0.65 0.00 0.00 175.02 175.77 2dmm s ASP 86 N 1.12 6.84 0.06 1.11 2.15 -1.26 -2.79 116.67 123.90 2dmm s ASP 86 Ca -0.07 -2.55 -0.13 0.00 0.43 0.00 0.00 52.55 50.22 2dmm s ASP 86 Cb -0.07 -2.37 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2dmm s ASP 86 CO -0.09 -0.85 1.23 0.00 -0.17 0.00 0.00 175.17 175.29 2dmm h ALA 87 N 7.99 -0.31 -1.15 3.66 0.00 -1.69 0.58 119.26 128.35 2dmm h ALA 87 Ca 0.21 0.04 0.40 0.00 0.00 0.00 0.00 54.91 55.55 2dmm h ALA 87 Cb 0.96 1.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.73 2dmm h ALA 87 CO 1.11 -0.47 0.74 0.25 0.00 0.00 0.00 179.25 180.88 2dmm n THR 88 N -3.93 -0.20 0.03 0.00 -2.24 -1.26 0.23 114.28 106.91 2dmm n THR 88 Ca 0.00 1.48 -0.17 0.00 -2.27 0.00 0.00 64.05 63.09 2dmm n THR 88 Cb 0.12 -2.43 -0.14 0.00 -2.10 0.00 0.00 70.33 65.78 2dmm n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmm h ALA 89 N 1.30 0.40 -3.41 6.98 0.00 -0.45 -3.45 119.26 120.63 2dmm h ALA 89 Ca 0.73 -1.26 -0.56 0.00 0.00 0.00 0.00 54.91 53.81 2dmm h ALA 89 Cb 2.37 0.46 -0.38 0.00 0.00 0.00 0.00 17.79 20.24 2dmm h ALA 89 CO -0.37 1.26 -0.79 0.54 0.00 0.00 0.00 179.25 179.89 2dmm s ASN 90 N -6.87 3.16 0.78 0.00 2.20 0.64 -3.91 114.94 110.94 2dmm s ASN 90 Ca -0.13 -0.85 -0.17 0.00 -0.94 0.00 0.00 52.86 50.77 2dmm s ASN 90 Cb 0.07 -0.94 -0.14 0.00 -2.00 0.00 0.00 41.25 38.25 2dmm s ASN 90 CO 0.82 -0.22 -0.40 -0.67 -2.94 0.00 0.00 177.10 173.69 2dmm n ASP 91 N 4.84 -4.63 -4.59 3.54 2.03 -1.19 -3.97 116.55 112.59 2dmm n ASP 91 Ca -0.11 0.40 -0.36 0.00 0.52 0.00 0.00 54.79 55.24 2dmm n ASP 91 Cb 0.46 -0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 39.92 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 -2.01 4.83 0.00 5.18 1.01 -1.26 -4.76 120.40 123.40 2dmm s VAL 92 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2dmm s VAL 92 Cb -0.32 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2dmm s VAL 92 CO 0.74 0.39 0.00 -0.81 0.00 0.00 0.00 175.10 175.42 2dmm n PRO 93 N 4.17 0.00 -4.45 2.72 -0.04 -1.26 -4.91 135.00 131.24 2dmm n PRO 93 Ca -0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.07 2dmm n PRO 93 Cb 0.52 0.00 -0.10 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 3.28 0.10 3.54 0.01 -1.21 -3.24 113.70 114.66 2dmm s SER 94 Ca 0.00 -1.07 0.18 0.00 1.31 0.00 0.00 55.95 56.37 2dmm s SER 94 Cb 0.00 -0.25 0.75 0.00 0.21 0.00 0.00 66.02 66.72 2dmm s SER 94 CO 0.00 -0.09 1.55 -0.81 0.41 0.00 0.00 173.24 174.30 2dmm n PRO 95 N -0.58 0.07 -1.06 12.44 -0.04 -1.26 -4.65 135.00 139.92 2dmm n PRO 95 Ca -0.06 0.32 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 2dmm n PRO 95 Cb 0.61 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.78 0.77 -3.79 0.54 4.02 -1.20 -4.93 117.16 110.80 2dmm n TYR 96 Ca 0.03 0.72 -0.25 0.00 -0.01 0.00 0.00 57.90 58.39 2dmm n TYR 96 Cb 0.19 -1.41 -0.17 0.00 -0.02 0.00 0.00 39.34 37.93 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2dmm s GLU 97 N 0.95 0.80 -0.27 -0.72 -1.05 -1.26 -4.53 118.70 112.61 2dmm s GLU 97 Ca 0.64 -0.12 0.03 0.00 -0.15 0.00 0.00 54.97 55.36 2dmm s GLU 97 Cb -0.90 -1.43 0.06 0.00 -0.44 0.00 0.00 34.13 31.43 2dmm s GLU 97 CO 0.45 -0.40 -0.08 0.08 0.95 0.00 0.00 175.26 176.26 2dmm s VAL 98 N 1.88 2.26 -0.18 1.83 1.01 -1.26 -4.95 120.40 121.00 2dmm s VAL 98 Ca 0.03 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.30 2dmm s VAL 98 Cb -0.14 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 2dmm s VAL 98 CO -0.07 -0.11 -0.17 -1.14 0.00 0.00 0.00 175.10 173.62 2dmm n ARG 99 N 4.43 0.44 -4.72 2.72 3.00 -1.26 -4.99 116.66 116.28 2dmm n ARG 99 Ca -0.12 0.11 -0.26 0.00 -0.00 0.00 0.00 57.85 57.59 2dmm n ARG 99 Cb 0.42 -1.33 -0.16 0.00 0.00 0.00 0.00 32.46 31.38 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 -5.68 0.88 0.21 5.14 0.00 -1.26 -5.14 107.32 101.47 2dmm s GLY 100 Ca -0.24 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2dmm s GLY 100 CO 0.40 -0.05 0.39 -1.36 0.00 0.00 0.00 173.10 172.48 2dmm s PHE 101 N 0.47 3.48 0.82 1.90 0.40 -1.26 -4.15 117.98 119.65 2dmm s PHE 101 Ca -0.13 0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.37 2dmm s PHE 101 Cb -0.15 -1.81 0.09 0.00 0.51 0.00 0.00 43.02 41.66 2dmm s PHE 101 CO 0.04 0.38 1.09 -1.25 0.70 0.00 0.00 175.22 176.18 2dmm s PRO 102 N -3.47 1.83 -0.11 0.24 0.04 -1.26 -4.93 135.00 127.34 2dmm s PRO 102 Ca 0.38 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 2dmm s PRO 102 Cb -0.11 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.63 2dmm s PRO 102 CO 0.30 -1.90 0.13 0.99 0.04 0.00 0.00 177.00 176.56 2dmm s THR 103 N -2.92 -0.20 -0.06 1.26 2.01 -0.90 -5.06 115.64 109.76 2dmm s THR 103 Ca 0.62 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.81 2dmm s THR 103 Cb -0.17 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2dmm s THR 103 CO 0.56 -0.00 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.80 2dmm s ILE 104 N 2.24 3.75 0.01 1.82 1.01 -1.26 0.62 121.20 129.38 2dmm s ILE 104 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2dmm s ILE 104 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2dmm s ILE 104 CO -0.07 0.57 -0.02 -0.31 0.00 0.00 0.00 174.94 175.11 2dmm s TYR 105 N -0.85 0.14 -0.00 3.97 1.51 0.96 -2.80 117.35 120.28 2dmm s TYR 105 Ca 0.13 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2dmm s TYR 105 Cb -0.11 -0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.61 2dmm s TYR 105 CO 0.02 -0.05 -0.08 0.12 -1.11 0.00 0.00 175.55 174.46 2dmm s PHE 106 N -0.41 2.86 -0.53 2.71 5.36 0.11 -0.04 117.98 128.05 2dmm s PHE 106 Ca -0.04 -0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 55.86 2dmm s PHE 106 Cb -0.03 -1.61 0.14 0.00 -0.34 0.00 0.00 43.02 41.18 2dmm s PHE 106 CO -0.00 0.35 0.31 -1.12 -1.46 0.00 0.00 175.22 173.30 2dmm s SER 107 N -1.32 5.06 0.96 6.13 0.01 0.14 -2.96 113.70 121.72 2dmm s SER 107 Ca 0.16 -2.60 -0.12 0.00 1.31 0.00 0.00 55.95 54.70 2dmm s SER 107 Cb -0.11 -1.80 0.17 0.00 0.21 0.00 0.00 66.02 64.49 2dmm s SER 107 CO 0.06 -0.40 1.09 -2.16 0.41 0.00 0.00 173.24 172.25 2dmm s PRO 108 N 0.31 0.72 0.10 12.44 0.04 -1.26 -2.15 135.00 145.19 2dmm s PRO 108 Ca 0.14 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 2dmm s PRO 108 Cb -0.22 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2dmm s PRO 108 CO -0.03 -2.56 0.78 0.00 0.04 0.00 0.00 177.00 175.22 2dmm s ALA 109 N -2.95 3.40 -0.97 8.56 0.00 -1.26 -3.74 121.76 124.79 2dmm s ALA 109 Ca 0.65 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2dmm s ALA 109 Cb -0.18 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2dmm s ALA 109 CO 0.57 0.16 0.00 0.27 0.00 0.00 0.00 175.76 176.76 2dmm n ASN 110 N 2.31 -3.25 -2.28 0.00 0.23 -1.26 -4.79 115.26 106.22 2dmm n ASN 110 Ca -0.04 0.25 -0.12 0.00 -0.53 0.00 0.00 54.58 54.14 2dmm n ASN 110 Cb 0.50 -2.88 0.04 0.00 -2.08 0.00 0.00 39.78 35.35 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 -2.42 2.63 -0.08 -3.83 5.02 -1.25 -4.84 118.16 113.40 2dmm n LYS 111 Ca -0.12 -3.79 -0.12 0.00 -2.02 0.00 0.00 58.31 52.26 2dmm n LYS 111 Cb 0.51 -1.90 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 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 2.27 0.45 -0.99 1.97 1.79 -1.87 -2.93 116.57 117.26 2dmm h LYS 112 Ca 0.12 -0.19 0.21 0.00 -2.18 0.00 0.00 60.65 58.62 2dmm h LYS 112 Cb 1.42 -0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.95 2dmm h LYS 112 CO 0.47 0.71 0.62 -0.07 -1.08 0.00 0.00 179.45 180.10 2dmm h LEU 113 N 0.17 0.64 -6.75 2.94 4.07 -1.97 -3.28 115.31 111.12 2dmm h LEU 113 Ca 0.05 0.08 -0.60 0.00 0.08 0.00 0.00 57.88 57.50 2dmm h LEU 113 Cb 0.56 -0.03 -0.39 0.00 1.08 0.00 0.00 40.66 41.88 2dmm h LEU 113 CO 0.03 0.21 -0.81 0.20 -1.08 0.00 0.00 178.44 176.99 2dmm s ASN 114 N -5.43 3.14 1.05 -0.43 -0.87 -1.15 -4.99 114.94 106.26 2dmm s ASN 114 Ca -0.10 -2.54 -0.04 0.00 -1.57 0.00 0.00 52.86 48.61 2dmm s ASN 114 Cb 0.25 -0.71 0.05 0.00 -0.02 0.00 0.00 41.25 40.82 2dmm s ASN 114 CO 0.80 -0.27 0.20 -0.81 -2.57 0.00 0.00 177.10 174.45 2dmm n PRO 115 N 3.61 -1.41 -3.71 -0.60 -0.04 -1.12 -4.87 135.00 126.87 2dmm n PRO 115 Ca 0.13 -0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 2dmm n PRO 115 Cb 0.37 -0.29 -0.18 0.00 -0.04 0.00 0.00 33.50 33.36 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 -3.45 0.25 -0.26 0.54 -0.14 -1.16 -5.03 119.74 110.51 2dmm s LYS 116 Ca 0.13 0.20 -0.19 0.00 -1.36 0.00 0.00 55.97 54.75 2dmm s LYS 116 Cb -0.01 -0.86 -0.02 0.00 -1.68 0.00 0.00 37.83 35.25 2dmm s LYS 116 CO 0.10 -0.35 0.55 0.21 -0.76 0.00 0.00 175.35 175.09 2dmm s LYS 117 N 2.07 4.09 -0.24 1.68 2.20 -1.26 0.09 119.74 128.37 2dmm s LYS 117 Ca 0.05 0.40 -0.33 0.00 -0.36 0.00 0.00 55.97 55.73 2dmm s LYS 117 Cb -0.13 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 2dmm s LYS 117 CO -0.05 -0.36 2.12 0.98 -0.36 0.00 0.00 175.35 177.69 2dmm n TYR 118 N 5.55 1.91 -3.94 4.03 4.19 -1.12 -4.92 117.16 122.87 2dmm n TYR 118 Ca -0.03 0.07 -0.31 0.00 3.31 0.00 0.00 57.90 60.94 2dmm n TYR 118 Cb 0.49 -2.63 -0.15 0.00 0.49 0.00 0.00 39.34 37.54 2dmm n TYR 118 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 2dmm s GLU 119 N 5.73 1.30 0.00 2.98 2.02 -1.26 -4.69 118.70 124.78 2dmm s GLU 119 Ca 1.02 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2dmm s GLU 119 Cb -0.64 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2dmm s GLU 119 CO 0.45 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 175.22 2dmm n GLY 120 N 4.45 -1.01 3.83 -1.39 0.00 -1.26 -5.14 105.19 104.67 2dmm n GLY 120 Ca 0.01 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 2.47 -0.14 -0.02 0.00 -1.26 -4.97 107.32 103.40 2dmm s GLY 121 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 2dmm s GLY 121 CO 0.00 0.16 2.50 0.54 0.00 0.00 0.00 173.10 176.30 2dmm n ARG 122 N 1.87 1.64 -3.87 2.90 1.74 -1.26 -4.59 116.66 115.08 2dmm n ARG 122 Ca -0.14 -0.96 -0.35 0.00 -0.77 0.00 0.00 57.85 55.63 2dmm n ARG 122 Cb 0.52 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.46 4.07 0.15 5.56 2.56 -1.26 -4.93 118.70 124.39 2dmm s GLU 123 Ca 0.32 -0.29 -0.14 0.00 0.00 0.00 0.00 54.97 54.86 2dmm s GLU 123 Cb 0.19 -3.31 0.12 0.00 2.00 0.00 0.00 34.13 33.13 2dmm s GLU 123 CO -0.03 0.27 1.09 -0.11 -0.56 0.00 0.00 175.26 175.91 2dmm n LEU 124 N 3.57 -0.52 0.04 2.70 -0.00 -1.26 0.97 117.00 122.50 2dmm n LEU 124 Ca -0.16 1.23 -0.12 0.00 -0.00 0.00 0.00 56.01 56.96 2dmm n LEU 124 Cb 0.52 -0.25 -0.06 0.00 -0.00 0.00 0.00 43.42 43.62 2dmm n LEU 124 CO 0.36 -1.08 0.86 -1.28 -0.00 0.00 0.00 177.39 176.25 2dmm h SER 125 N 0.00 -0.04 -1.26 1.96 0.87 -1.94 -2.14 113.55 111.00 2dmm h SER 125 Ca 0.21 0.01 0.39 0.00 -1.23 0.00 0.00 61.79 61.17 2dmm h SER 125 Cb 0.39 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.26 2dmm h SER 125 CO -0.69 -0.02 0.82 -0.78 -0.53 0.00 0.00 176.83 175.63 2dmm h ASP 126 N -0.02 0.28 0.00 6.23 1.82 0.32 0.94 116.42 125.99 2dmm h ASP 126 Ca 0.01 0.12 -0.21 0.00 -0.39 0.00 0.00 57.03 56.56 2dmm h ASP 126 Cb 0.04 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2dmm h ASP 126 CO -0.03 -0.10 -0.75 -0.26 -1.61 0.00 0.00 179.24 176.49 2dmm h PHE 127 N 0.16 0.87 0.74 0.28 0.04 -0.67 -1.73 116.94 116.63 2dmm h PHE 127 Ca 0.75 -0.38 -0.04 0.00 2.80 0.00 0.00 57.97 61.11 2dmm h PHE 127 Cb 2.31 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 40.33 2dmm h PHE 127 CO -0.00 1.18 -0.36 0.82 -0.60 0.00 0.00 178.31 179.35 2dmm h ILE 128 N 0.45 0.00 -0.50 -0.55 2.04 0.11 -2.19 117.51 116.87 2dmm h ILE 128 Ca -0.04 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2dmm h ILE 128 Cb 1.35 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2dmm h ILE 128 CO 0.14 0.00 0.33 0.28 0.00 0.00 0.00 178.15 178.91 2dmm h SER 129 N -1.13 0.56 -0.23 1.72 0.02 -1.41 0.63 113.55 113.71 2dmm h SER 129 Ca -0.10 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2dmm h SER 129 Cb 0.76 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2dmm h SER 129 CO 0.17 0.40 0.05 0.22 -1.14 0.00 0.00 176.83 176.53 2dmm h TYR 130 N 0.66 0.09 -0.01 3.45 5.03 -1.24 -2.66 116.97 122.29 2dmm h TYR 130 Ca 0.19 0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.30 2dmm h TYR 130 Cb -0.05 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 2dmm h TYR 130 CO -0.00 0.03 -0.89 -0.07 -1.32 0.00 0.00 178.16 175.91 2dmm h LEU 131 N 0.14 0.41 -1.12 2.82 3.38 -0.94 -1.54 115.31 118.46 2dmm h LEU 131 Ca 0.11 -0.32 0.36 0.00 0.09 0.00 0.00 57.88 58.12 2dmm h LEU 131 Cb 0.10 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.58 2dmm h LEU 131 CO -0.14 1.11 0.63 1.56 0.09 0.00 0.00 178.44 181.70 2dmm h GLN 132 N 0.18 0.21 0.00 1.13 4.20 -0.52 0.34 115.11 120.65 2dmm h GLN 132 Ca -0.06 -0.01 -0.42 0.00 0.06 0.00 0.00 58.65 58.22 2dmm h GLN 132 Cb 1.51 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 29.18 2dmm h GLN 132 CO 0.15 0.14 -2.46 2.89 -0.67 0.00 0.00 178.83 178.87 2dmm n ARG 133 N -4.98 0.58 0.12 1.46 1.85 -1.18 -4.59 116.66 109.92 2dmm n ARG 133 Ca 0.34 0.22 -0.15 0.00 -1.00 0.00 0.00 57.85 57.26 2dmm n ARG 133 Cb 1.14 -1.46 -0.08 0.00 -1.05 0.00 0.00 32.46 31.02 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 -0.67 -0.65 -6.01 2.89 4.39 -0.83 -3.40 114.58 110.30 2dmm h GLU 134 Ca -0.64 0.04 -0.69 0.00 0.34 0.00 0.00 59.36 58.41 2dmm h GLU 134 Cb 1.67 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.44 2dmm h GLU 134 CO -0.31 -0.43 1.36 0.00 -1.16 0.00 0.00 179.01 178.46 2dmm n ALA 135 N -2.84 0.82 -0.13 3.43 0.00 0.12 -4.84 120.51 117.07 2dmm n ALA 135 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2dmm n ALA 135 Cb 0.39 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 6.85 0.00 0.37 0.00 -2.24 -1.26 -1.99 114.28 116.01 2dmm n THR 136 Ca 0.43 1.16 -0.18 0.00 -2.27 0.00 0.00 64.05 63.19 2dmm n THR 136 Cb 0.17 -1.57 -0.09 0.00 -2.10 0.00 0.00 70.33 66.74 2dmm n THR 136 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2dmm h SER 137 N 0.00 -0.85 -4.70 3.42 0.87 -1.93 -3.50 113.55 106.86 2dmm h SER 137 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2dmm h SER 137 Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2dmm h SER 137 CO 0.00 -0.58 0.00 0.61 -0.53 0.00 0.00 176.83 176.33 2dmm n GLY 138 N -1.50 0.77 0.23 5.77 0.00 -0.84 -4.71 105.19 104.91 2dmm n GLY 138 Ca -0.14 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.23 2dmm n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmm h PRO 139 N 0.00 0.00 -6.17 1.61 0.13 -1.87 -3.47 132.00 122.23 2dmm h PRO 139 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2dmm h PRO 139 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 2dmm h PRO 139 CO 0.00 0.20 -0.67 0.43 -0.23 0.00 0.00 178.00 177.73 2dmm n SER 140 N -3.46 -0.96 -0.04 1.44 7.64 -1.26 -4.72 113.62 112.27 2dmm n SER 140 Ca -0.00 -0.92 -0.09 0.00 1.01 0.00 0.00 58.87 58.87 2dmm n SER 140 Cb 0.38 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 2dmm n SER 140 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dmm n SER 141 N -1.67 0.91 0.00 6.43 2.88 -1.26 -5.25 113.62 115.66 2dmm n SER 141 Ca 0.03 0.15 0.15 0.00 -1.33 0.00 0.00 58.87 57.86 2dmm n SER 141 Cb 0.36 -0.35 0.88 0.00 -0.75 0.00 0.00 64.21 64.35 2dmm n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42