#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 0.64 0.74 1.61 0.15 -1.26 -5.16 113.70 110.43 2dmm s SER 2 Ca 0.00 -1.05 -0.11 0.00 0.70 0.00 0.00 55.95 55.49 2dmm s SER 2 Cb 0.00 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.54 2dmm s SER 2 CO 0.00 -0.59 1.09 -0.94 1.20 0.00 0.00 173.24 173.99 2dmm s SER 3 N -2.99 5.00 0.29 5.45 1.04 -1.26 -4.99 113.70 116.25 2dmm s SER 3 Ca 0.12 1.33 -0.29 0.00 0.48 0.00 0.00 55.95 57.59 2dmm s SER 3 Cb 0.07 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 2dmm s SER 3 CO -0.06 -1.65 1.41 -0.83 0.98 0.00 0.00 173.24 173.09 2dmm s GLY 4 N -4.01 2.60 -0.55 7.32 0.00 -1.26 -4.98 107.32 106.44 2dmm s GLY 4 Ca 0.59 1.35 -0.08 0.00 0.00 0.00 0.00 44.72 46.58 2dmm s GLY 4 CO 0.54 2.18 0.42 -0.56 0.00 0.00 0.00 173.10 175.67 2dmm s SER 5 N 0.05 5.74 -0.04 1.64 0.01 -1.26 -5.04 113.70 114.79 2dmm s SER 5 Ca 0.55 -2.22 0.01 0.00 1.31 0.00 0.00 55.95 55.60 2dmm s SER 5 Cb -0.42 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 63.83 2dmm s SER 5 CO 0.49 -0.61 -0.03 -0.44 0.41 0.00 0.00 173.24 173.06 2dmm s SER 6 N 2.17 0.90 0.00 2.44 0.01 -1.26 -5.12 113.70 112.83 2dmm s SER 6 Ca 0.10 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2dmm s SER 6 Cb -0.23 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2dmm s SER 6 CO -0.03 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2dmm n GLY 7 N 4.19 3.40 3.53 3.44 0.00 -1.26 -5.07 105.19 113.41 2dmm n GLY 7 Ca -0.23 -0.33 -0.57 0.00 0.00 0.00 0.00 46.02 44.88 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 0.87 -1.69 1.61 3.72 -1.26 -4.86 117.46 115.85 2dmm n PHE 8 Ca 0.00 0.95 -0.28 0.00 -0.05 0.00 0.00 57.45 58.07 2dmm n PHE 8 Cb 0.00 -2.15 0.06 0.00 -0.94 0.00 0.00 39.48 36.44 2dmm n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2dmm n ASP 9 N 1.79 6.01 0.00 4.37 2.03 -1.26 -5.06 116.55 124.42 2dmm n ASP 9 Ca 0.20 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.74 2dmm n ASP 9 Cb 0.11 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 2dmm n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmm n GLY 10 N -0.82 1.62 3.22 0.27 0.00 -1.26 -4.24 105.19 103.98 2dmm n GLY 10 Ca 0.52 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.00 6.19 -1.23 1.61 3.84 -1.26 -4.99 114.94 115.10 2dmm s ASN 11 Ca 0.00 -3.03 -0.21 0.00 0.21 0.00 0.00 52.86 49.84 2dmm s ASN 11 Cb 0.00 -2.04 -0.03 0.00 -0.55 0.00 0.00 41.25 38.63 2dmm s ASN 11 CO 0.00 -0.41 1.86 -0.11 -2.79 0.00 0.00 177.10 175.66 2dmm n LEU 12 N 3.39 3.89 0.00 3.21 0.00 -1.26 -4.79 117.00 121.43 2dmm n LEU 12 Ca 0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 56.01 52.66 2dmm n LEU 12 Cb 0.41 -1.73 0.02 0.00 0.00 0.00 0.00 43.42 42.12 2dmm n LEU 12 CO 0.35 -0.97 0.72 2.29 0.00 0.00 0.00 177.39 179.78 2dmm n LYS 13 N 8.25 0.44 -3.62 1.96 -0.00 -1.26 -4.54 118.16 119.39 2dmm n LYS 13 Ca 0.47 -1.07 0.01 0.00 -0.00 0.00 0.00 58.31 57.72 2dmm n LYS 13 Cb 0.46 1.49 -0.06 0.00 -0.00 0.00 0.00 35.03 36.92 2dmm n LYS 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dmm s ARG 14 N -2.03 0.15 0.03 -1.58 6.06 -1.26 -4.77 118.95 115.55 2dmm s ARG 14 Ca 0.20 0.27 -0.23 0.00 -2.50 0.00 0.00 55.73 53.47 2dmm s ARG 14 Cb -0.02 0.04 0.05 0.00 0.06 0.00 0.00 34.95 35.08 2dmm s ARG 14 CO 0.03 -0.03 0.52 1.52 -2.50 0.00 0.00 175.30 174.84 2dmm s TYR 15 N 1.21 -0.43 -0.08 5.12 1.13 -1.26 -3.78 117.35 119.26 2dmm s TYR 15 Ca -0.08 0.52 0.02 0.00 -1.41 0.00 0.00 57.07 56.13 2dmm s TYR 15 Cb -0.03 0.33 -0.07 0.00 -1.10 0.00 0.00 41.96 41.10 2dmm s TYR 15 CO -0.12 -0.62 -0.05 1.47 -2.51 0.00 0.00 175.55 173.72 2dmm n LEU 16 N 0.52 2.07 -4.70 -3.49 -0.00 -1.26 -5.04 117.00 105.09 2dmm n LEU 16 Ca -0.19 -0.03 -0.26 0.00 -0.00 0.00 0.00 56.01 55.53 2dmm n LEU 16 Cb 0.60 -0.17 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 2dmm n LEU 16 CO 0.20 0.51 -0.30 -0.75 -0.00 0.00 0.00 177.39 177.05 2dmm s LYS 17 N -2.18 2.53 -0.22 1.47 2.20 -1.26 -4.99 119.74 117.29 2dmm s LYS 17 Ca -0.10 -1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 54.16 2dmm s LYS 17 Cb 0.03 -2.41 0.11 0.00 -1.51 0.00 0.00 37.83 34.05 2dmm s LYS 17 CO 0.24 0.45 0.95 0.45 -0.36 0.00 0.00 175.35 177.07 2dmm s SER 18 N -3.10 -0.49 0.53 1.43 0.15 -1.25 -1.85 113.70 109.13 2dmm s SER 18 Ca 0.29 0.80 -0.06 0.00 0.70 0.00 0.00 55.95 57.68 2dmm s SER 18 Cb -0.09 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2dmm s SER 18 CO 0.20 -0.26 0.84 -1.61 1.20 0.00 0.00 173.24 173.61 2dmm s GLU 19 N -0.27 3.28 0.37 5.44 0.41 -1.26 -4.93 118.70 121.74 2dmm s GLU 19 Ca -0.00 0.13 -0.27 0.00 -0.41 0.00 0.00 54.97 54.42 2dmm s GLU 19 Cb -0.03 -2.32 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 2dmm s GLU 19 CO -0.01 -0.43 1.20 -1.25 -0.49 0.00 0.00 175.26 174.28 2dmm s PRO 20 N -4.86 4.21 0.13 0.39 0.04 -1.26 -4.59 135.00 129.06 2dmm s PRO 20 Ca 0.50 1.95 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 2dmm s PRO 20 Cb -0.10 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.50 2dmm s PRO 20 CO 0.45 -0.22 1.27 0.42 0.04 0.00 0.00 177.00 178.96 2dmm s ILE 21 N -1.29 3.59 1.22 0.56 -1.09 -1.26 -5.02 121.20 117.90 2dmm s ILE 21 Ca 0.53 1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 59.96 2dmm s ILE 21 Cb -0.34 -3.77 0.29 0.00 -1.58 0.00 0.00 42.46 37.07 2dmm s ILE 21 CO 0.43 0.13 1.11 -2.16 -1.23 0.00 0.00 174.94 173.23 2dmm s PRO 22 N 0.59 -1.33 -0.19 2.79 0.04 -1.26 -5.02 135.00 130.62 2dmm s PRO 22 Ca 0.59 -0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.60 2dmm s PRO 22 Cb -0.33 -1.59 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 2dmm s PRO 22 CO 0.33 -3.78 -0.07 -0.85 0.04 0.00 0.00 177.00 172.67 2dmm n GLU 23 N -4.80 0.88 -3.69 4.56 0.28 -1.26 -4.98 120.64 111.63 2dmm n GLU 23 Ca 0.14 0.06 -0.12 0.00 -0.16 0.00 0.00 57.16 57.08 2dmm n GLU 23 Cb 0.60 -1.44 -0.12 0.00 1.43 0.00 0.00 31.44 31.90 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 -5.61 -0.09 -0.65 -1.84 1.04 -1.26 -5.05 113.70 100.24 2dmm s SER 24 Ca -0.19 0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.90 2dmm s SER 24 Cb 0.06 0.65 0.40 0.00 0.10 0.00 0.00 66.02 67.23 2dmm s SER 24 CO 0.60 -0.20 1.68 0.59 0.98 0.00 0.00 173.24 176.89 2dmm n ASN 25 N 4.73 6.48 0.24 7.02 3.02 -1.26 -4.73 115.26 130.77 2dmm n ASN 25 Ca -0.17 -3.79 0.14 0.00 -0.03 0.00 0.00 54.58 50.73 2dmm n ASN 25 Cb 0.52 -0.81 0.81 0.00 -0.61 0.00 0.00 39.78 39.69 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 2.64 0.00 -1.49 6.41 3.32 -1.96 -3.43 116.42 121.91 2dmm h ASP 26 Ca 0.48 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 57.04 2dmm h ASP 26 Cb 0.55 0.00 0.25 0.00 0.22 0.00 0.00 39.33 40.35 2dmm h ASP 26 CO 1.23 0.00 -2.18 0.61 -1.72 0.00 0.00 179.24 177.17 2dmm n GLY 27 N -1.42 -2.98 0.21 2.75 0.00 -1.26 -4.84 105.19 97.66 2dmm n GLY 27 Ca -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.30 0.00 -4.92 1.61 0.13 -1.89 -3.41 132.00 122.22 2dmm h PRO 28 Ca -0.43 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 2dmm h PRO 28 Cb 1.38 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.14 2dmm h PRO 28 CO 0.26 0.28 -0.82 0.08 -0.23 0.00 0.00 178.00 177.57 2dmm s VAL 29 N -3.82 2.12 0.18 1.56 1.01 -1.26 -3.67 120.40 116.52 2dmm s VAL 29 Ca -0.01 -1.41 -0.33 0.00 0.00 0.00 0.00 61.98 60.23 2dmm s VAL 29 Cb 0.12 -2.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.23 2dmm s VAL 29 CO 0.65 0.15 1.66 0.29 0.00 0.00 0.00 175.10 177.86 2dmm n LYS 30 N 4.49 2.48 -2.70 2.72 4.76 -0.46 -4.62 118.16 124.82 2dmm n LYS 30 Ca -0.16 0.89 -0.42 0.00 -2.87 0.00 0.00 58.31 55.75 2dmm n LYS 30 Cb 0.45 -2.71 -0.03 0.00 -1.84 0.00 0.00 35.03 30.90 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 1.17 4.80 -0.12 -0.18 1.01 -1.26 -0.52 120.40 125.31 2dmm s VAL 31 Ca 0.77 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.79 2dmm s VAL 31 Cb -0.59 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.50 2dmm s VAL 31 CO 0.35 0.03 -0.16 -0.69 0.00 0.00 0.00 175.10 174.63 2dmm s VAL 32 N 1.88 1.57 0.09 2.92 1.01 0.11 -4.90 120.40 123.08 2dmm s VAL 32 Ca 0.48 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2dmm s VAL 32 Cb -0.19 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2dmm s VAL 32 CO 0.19 0.45 -0.24 0.68 0.00 0.00 0.00 175.10 176.19 2dmm s VAL 33 N 1.04 1.95 0.23 2.92 -7.23 -1.26 -4.02 120.40 114.03 2dmm s VAL 33 Ca -0.05 -1.54 0.12 0.00 -1.81 0.00 0.00 61.98 58.70 2dmm s VAL 33 Cb -0.15 -1.73 0.23 0.00 0.56 0.00 0.00 36.38 35.30 2dmm s VAL 33 CO -0.03 0.09 1.01 0.00 -0.31 0.00 0.00 175.10 175.86 2dmm n ALA 34 N 1.24 0.63 -0.06 1.32 0.00 -1.26 0.21 120.51 122.58 2dmm n ALA 34 Ca -0.18 0.65 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 2dmm n ALA 34 Cb 0.53 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 0.05 -0.50 0.00 5.08 -1.89 -2.91 114.58 114.40 2dmm h GLU 35 Ca 0.53 -0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.55 2dmm h GLU 35 Cb 1.38 -0.01 -0.23 0.00 0.50 0.00 0.00 28.75 30.38 2dmm h GLU 35 CO -0.50 0.03 -0.36 0.27 -1.00 0.00 0.00 179.01 177.45 2dmm n ASN 36 N -5.18 3.80 0.16 1.42 6.94 0.57 -4.76 115.26 118.22 2dmm n ASN 36 Ca -0.01 -3.80 -0.10 0.00 -0.02 0.00 0.00 54.58 50.64 2dmm n ASN 36 Cb 0.14 -0.54 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 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 1.56 -0.45 0.00 -2.53 3.04 0.09 -2.65 116.94 116.00 2dmm h PHE 37 Ca 0.28 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2dmm h PHE 37 Cb 1.39 0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.05 2dmm h PHE 37 CO 0.96 -0.16 0.00 -0.25 -2.02 0.00 0.00 178.31 176.83 2dmm n ASP 38 N -5.11 0.00 -0.06 0.41 8.00 -1.26 -0.41 116.55 118.12 2dmm n ASP 38 Ca -0.08 0.14 -0.20 0.00 0.71 0.00 0.00 54.79 55.36 2dmm n ASP 38 Cb 0.25 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.94 2dmm n ASP 38 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dmm h GLU 39 N 0.00 0.09 0.00 -1.24 4.57 -1.79 -3.35 114.58 112.86 2dmm h GLU 39 Ca 0.00 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 2dmm h GLU 39 Cb 0.09 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2dmm h GLU 39 CO 0.00 1.08 -1.05 -0.89 -1.18 0.00 0.00 179.01 176.97 2dmm n ILE 40 N -4.24 1.48 0.01 2.32 5.41 -1.01 -4.65 119.36 118.68 2dmm n ILE 40 Ca -0.26 0.10 -0.13 0.00 1.00 0.00 0.00 62.75 63.45 2dmm n ILE 40 Cb 0.74 -2.30 -0.08 0.00 -0.71 0.00 0.00 39.64 37.29 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 -2.88 1.39 2.07 -0.95 -3.39 116.25 111.48 2dmm h VAL 41 Ca -0.09 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.89 2dmm h VAL 41 Cb 0.95 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2dmm h VAL 41 CO -0.06 0.00 0.84 0.20 0.02 0.00 0.00 177.57 178.57 2dmm s ASN 42 N -4.45 6.77 -0.30 0.57 0.01 -1.16 -4.69 114.94 111.70 2dmm s ASN 42 Ca -0.13 2.29 -0.17 0.00 -0.71 0.00 0.00 52.86 54.14 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 0.51 -0.74 1.13 0.21 -1.51 0.00 0.00 177.10 176.70 2dmm s ASN 43 N 1.72 -0.34 0.00 -1.22 3.84 -1.26 -4.60 114.94 113.07 2dmm s ASN 43 Ca 0.67 0.41 0.25 0.00 0.21 0.00 0.00 52.86 54.40 2dmm s ASN 43 Cb -0.36 1.36 0.56 0.00 -0.55 0.00 0.00 41.25 42.27 2dmm s ASN 43 CO 0.29 -0.06 1.47 -0.62 -2.79 0.00 0.00 177.10 175.39 2dmm n GLU 44 N 4.91 2.05 -0.07 0.43 4.71 -1.26 -4.15 120.64 127.26 2dmm n GLU 44 Ca -0.08 -1.54 -0.17 0.00 -0.01 0.00 0.00 57.16 55.37 2dmm n GLU 44 Cb 0.54 -1.47 -0.13 0.00 -1.01 0.00 0.00 31.44 29.37 2dmm n GLU 44 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2dmm n ASN 45 N 0.85 1.65 -3.88 1.62 4.13 -1.26 -4.50 115.26 113.87 2dmm n ASN 45 Ca 0.16 0.06 -0.13 0.00 1.68 0.00 0.00 54.58 56.35 2dmm n ASN 45 Cb 0.49 -0.34 -0.14 0.00 -1.54 0.00 0.00 39.78 38.24 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 -2.54 0.12 0.72 3.52 -2.85 -1.26 -5.06 119.74 112.39 2dmm s LYS 46 Ca -0.24 -0.03 -0.16 0.00 -1.00 0.00 0.00 55.97 54.54 2dmm s LYS 46 Cb 0.08 -0.14 0.02 0.00 -2.06 0.00 0.00 37.83 35.73 2dmm s LYS 46 CO 0.71 0.01 1.15 -0.40 0.10 0.00 0.00 175.35 176.93 2dmm n ASP 47 N 3.16 1.19 -3.77 0.03 5.68 -1.20 -4.67 116.55 116.97 2dmm n ASP 47 Ca -0.14 0.70 -0.13 0.00 -0.50 0.00 0.00 54.79 54.72 2dmm n ASP 47 Cb 0.58 -1.49 -0.10 0.00 -1.14 0.00 0.00 41.12 38.97 2dmm n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2dmm s VAL 48 N -1.76 0.02 -0.02 2.12 1.01 -1.10 -3.31 120.40 117.36 2dmm s VAL 48 Ca 0.77 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2dmm s VAL 48 Cb -0.34 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2dmm s VAL 48 CO 0.47 -0.08 -0.22 -0.22 0.00 0.00 0.00 175.10 175.05 2dmm s LEU 49 N -0.25 2.31 -0.04 3.92 2.96 -0.96 -0.53 118.68 126.09 2dmm s LEU 49 Ca -0.04 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2dmm s LEU 49 Cb -0.03 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 2dmm s LEU 49 CO 0.01 0.32 -0.15 -0.51 -1.32 0.00 0.00 176.35 174.71 2dmm s ILE 50 N -0.68 1.24 -0.12 6.68 1.10 -0.32 -1.62 121.20 127.48 2dmm s ILE 50 Ca 0.11 -0.61 0.00 0.00 -0.51 0.00 0.00 60.65 59.64 2dmm s ILE 50 Cb -0.10 -1.07 0.02 0.00 0.15 0.00 0.00 42.46 41.46 2dmm s ILE 50 CO -0.00 0.36 -0.12 -0.70 -2.11 0.00 0.00 174.94 172.37 2dmm s GLU 51 N 0.07 1.96 -0.29 3.50 -6.30 -1.15 -0.01 118.70 116.49 2dmm s GLU 51 Ca -0.03 -0.44 -0.15 0.00 -2.50 0.00 0.00 54.97 51.85 2dmm s GLU 51 Cb -0.10 -1.82 -0.03 0.00 0.00 0.00 0.00 34.13 32.17 2dmm s GLU 51 CO 0.02 -0.19 0.39 -0.06 0.02 0.00 0.00 175.26 175.43 2dmm s PHE 52 N 1.40 3.23 0.46 5.30 0.08 0.74 -1.59 117.98 127.60 2dmm s PHE 52 Ca 0.01 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.40 2dmm s PHE 52 Cb -0.13 -2.62 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2dmm s PHE 52 CO -0.07 -0.29 0.09 1.52 -0.10 0.00 0.00 175.22 176.36 2dmm s TYR 53 N 2.09 1.79 -0.02 0.36 -0.85 -1.19 -1.64 117.35 117.90 2dmm s TYR 53 Ca 0.15 -1.20 0.01 0.00 -0.52 0.00 0.00 57.07 55.51 2dmm s TYR 53 Cb -0.16 -1.32 0.01 0.00 0.38 0.00 0.00 41.96 40.88 2dmm s TYR 53 CO 0.11 -0.13 -0.01 0.00 -1.52 0.00 0.00 175.55 174.00 2dmm s ALA 54 N -3.07 0.23 -0.21 9.51 0.00 -1.26 -3.89 121.76 123.06 2dmm s ALA 54 Ca 0.15 0.06 0.28 0.00 0.00 0.00 0.00 51.96 52.46 2dmm s ALA 54 Cb 0.01 -0.18 1.17 0.00 0.00 0.00 0.00 23.12 24.12 2dmm s ALA 54 CO 0.10 -0.02 1.84 -1.00 0.00 0.00 0.00 175.76 176.68 2dmm h PRO 55 N 6.72 0.00 -0.35 0.00 0.13 -2.00 -2.40 132.00 134.10 2dmm h PRO 55 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2dmm h PRO 55 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2dmm h PRO 55 CO 0.49 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.59 2dmm n TRP 56 N -2.61 0.46 -3.71 1.56 4.27 -1.26 -4.89 117.44 111.27 2dmm n TRP 56 Ca 0.01 -0.33 -0.38 0.00 -3.89 0.00 0.00 57.50 52.91 2dmm n TRP 56 Cb 0.25 -0.01 -0.12 0.00 -1.36 0.00 0.00 31.31 30.07 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 8.29 -0.96 -1.10 0.00 0.00 -1.90 -2.21 103.07 105.19 2dmm h GLY 58 Ca -0.28 0.41 0.43 0.00 0.00 0.00 0.00 47.33 47.89 2dmm h GLY 58 CO 0.62 -0.34 0.73 0.45 0.00 0.00 0.00 176.54 178.00 2dmm h HIS 59 N -0.88 0.66 -0.06 5.60 3.86 -1.95 1.77 115.15 124.14 2dmm h HIS 59 Ca -0.06 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 58.99 2dmm h HIS 59 Cb 0.73 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2dmm h HIS 59 CO -0.12 -0.32 -0.75 0.00 0.86 0.00 0.00 177.93 177.61 2dmm h LYS 61 N 0.25 0.68 0.00 0.00 3.64 0.33 -0.55 116.57 120.91 2dmm h LYS 61 Ca -0.03 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 2dmm h LYS 61 Cb 1.33 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2dmm h LYS 61 CO 0.13 0.57 -0.53 -0.97 -2.27 0.00 0.00 179.45 176.37 2dmm h ASN 62 N 0.67 0.00 1.38 4.20 -0.73 -1.31 -3.04 115.58 116.75 2dmm h ASN 62 Ca 0.16 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.22 2dmm h ASN 62 Cb 0.16 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 2dmm h ASN 62 CO -0.01 0.53 -0.63 0.25 -0.37 0.00 0.00 177.43 177.20 2dmm h LEU 63 N 0.00 0.00 -0.88 0.34 5.85 -1.23 -3.35 115.31 116.04 2dmm h LEU 63 Ca -0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2dmm h LEU 63 Cb 1.10 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 2dmm h LEU 63 CO 0.07 0.52 -0.47 1.21 -0.34 0.00 0.00 178.44 179.43 2dmm n GLU 64 N -3.18 -0.34 0.12 1.25 2.13 -0.29 0.55 120.64 120.88 2dmm n GLU 64 Ca 0.01 1.33 -0.01 0.00 0.66 0.00 0.00 57.16 59.14 2dmm n GLU 64 Cb 0.75 -1.96 0.22 0.00 0.27 0.00 0.00 31.44 30.72 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 0.14 0.00 5.31 0.13 -1.76 0.99 132.00 136.81 2dmm h PRO 65 Ca 0.19 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 2dmm h PRO 65 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2dmm h PRO 65 CO -0.84 0.59 -0.41 0.87 -0.23 0.00 0.00 178.00 177.99 2dmm h LYS 66 N 0.12 0.00 0.09 0.86 1.57 -0.04 -2.96 116.57 116.20 2dmm h LYS 66 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2dmm h LYS 66 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 2dmm h LYS 66 CO 0.07 0.41 -2.08 0.98 -0.57 0.00 0.00 179.45 178.25 2dmm n TYR 67 N -4.05 0.96 0.03 -1.35 9.36 0.18 -4.31 117.16 117.98 2dmm n TYR 67 Ca -0.02 0.22 -0.14 0.00 3.32 0.00 0.00 57.90 61.27 2dmm n TYR 67 Cb 0.44 -1.13 -0.08 0.00 -0.63 0.00 0.00 39.34 37.93 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 -0.58 -0.93 2.98 3.64 -0.79 -1.72 116.57 119.22 2dmm h LYS 68 Ca -0.45 0.04 0.20 0.00 -1.27 0.00 0.00 60.65 59.17 2dmm h LYS 68 Cb 2.01 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 33.79 2dmm h LYS 68 CO 0.05 -0.38 -0.17 0.93 -2.27 0.00 0.00 179.45 177.60 2dmm h GLU 69 N -0.60 0.01 -0.95 1.90 5.08 -1.73 0.71 114.58 119.00 2dmm h GLU 69 Ca 0.04 -0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.65 2dmm h GLU 69 Cb 0.68 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.80 2dmm h GLU 69 CO -0.37 0.01 0.48 1.25 -1.00 0.00 0.00 179.01 179.38 2dmm h LEU 70 N 0.01 0.45 0.20 1.33 5.85 -1.50 0.49 115.31 122.14 2dmm h LEU 70 Ca 0.47 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.34 2dmm h LEU 70 Cb 0.78 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2dmm h LEU 70 CO -0.93 -0.02 -0.15 1.23 -0.34 0.00 0.00 178.44 178.23 2dmm h GLY 71 N 0.42 -0.73 2.00 3.75 0.00 0.54 0.27 103.07 109.31 2dmm h GLY 71 Ca 0.63 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 48.26 2dmm h GLY 71 CO -0.54 -0.25 -0.07 1.05 0.00 0.00 0.00 176.54 176.72 2dmm h GLU 72 N -0.35 0.00 -0.37 4.80 4.11 -1.41 -2.10 114.58 119.27 2dmm h GLU 72 Ca -0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.24 2dmm h GLU 72 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dmm h GLU 72 CO 0.01 0.07 -0.42 0.87 0.07 0.00 0.00 179.01 179.61 2dmm h LYS 73 N 0.00 0.93 0.00 1.06 1.79 0.25 -2.67 116.57 117.93 2dmm h LYS 73 Ca -0.00 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2dmm h LYS 73 Cb 0.15 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2dmm h LYS 73 CO 0.01 1.16 0.00 1.28 -1.08 0.00 0.00 179.45 180.82 2dmm n LEU 74 N -4.05 0.00 0.07 2.94 4.77 0.92 -3.79 117.00 117.86 2dmm n LEU 74 Ca -0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2dmm n LEU 74 Cb 0.56 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.86 2dmm n LEU 74 CO 0.49 0.00 0.63 -0.24 -1.33 0.00 0.00 177.39 176.94 2dmm n SER 75 N -0.76 0.19 0.19 -1.43 2.88 -1.01 0.21 113.62 113.90 2dmm n SER 75 Ca 0.12 0.53 0.12 0.00 -1.33 0.00 0.00 58.87 58.30 2dmm n SER 75 Cb 0.05 -0.54 0.12 0.00 -0.75 0.00 0.00 64.21 63.09 2dmm n SER 75 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2dmm h LYS 76 N 0.00 0.00 -4.31 -1.46 1.79 -1.82 -3.42 116.57 107.35 2dmm h LYS 76 Ca 0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 2dmm h LYS 76 Cb 0.18 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.61 2dmm h LYS 76 CO 0.00 0.01 -0.14 0.16 -1.08 0.00 0.00 179.45 178.40 2dmm s ASP 77 N -5.99 6.18 0.00 0.86 1.47 0.13 -4.90 116.67 114.42 2dmm s ASP 77 Ca 0.05 -1.60 0.15 0.00 1.18 0.00 0.00 52.55 52.33 2dmm s ASP 77 Cb 0.06 -2.23 0.84 0.00 -0.34 0.00 0.00 42.92 41.25 2dmm s ASP 77 CO 0.70 -0.89 1.38 -0.81 0.68 0.00 0.00 175.17 176.23 2dmm n PRO 78 N 5.55 0.35 -0.07 2.11 -0.04 -1.26 -2.61 135.00 139.03 2dmm n PRO 78 Ca -0.12 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 2dmm n PRO 78 Cb 0.41 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.15 2.18 -4.60 3.54 3.02 -1.26 -4.93 115.26 112.06 2dmm n ASN 79 Ca 0.09 -0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 2dmm n ASN 79 Cb 0.09 0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.31 5.01 -0.15 2.41 1.01 -1.07 -3.22 121.20 122.89 2dmm s ILE 80 Ca -0.11 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.29 2dmm s ILE 80 Cb 0.04 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2dmm s ILE 80 CO 0.47 -0.06 -0.19 -0.69 0.00 0.00 0.00 174.94 174.47 2dmm s VAL 81 N 2.43 2.36 -0.03 2.92 1.01 -1.21 -4.75 120.40 123.12 2dmm s VAL 81 Ca 0.22 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2dmm s VAL 81 Cb -0.15 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2dmm s VAL 81 CO 0.11 0.53 0.41 -0.63 0.00 0.00 0.00 175.10 175.53 2dmm s ILE 82 N 0.79 5.08 0.08 2.22 -1.09 -1.26 -2.26 121.20 124.77 2dmm s ILE 82 Ca -0.07 0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 59.15 2dmm s ILE 82 Cb -0.16 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 2dmm s ILE 82 CO -0.01 0.52 0.08 0.00 -1.23 0.00 0.00 174.94 174.30 2dmm s ALA 83 N -0.63 0.27 0.12 9.38 0.00 -0.64 -1.36 121.76 128.90 2dmm s ALA 83 Ca 0.24 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2dmm s ALA 83 Cb -0.16 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2dmm s ALA 83 CO 0.12 -0.45 -0.12 -1.59 0.00 0.00 0.00 175.76 173.72 2dmm s LYS 84 N -3.92 0.98 -0.16 0.00 -2.85 0.33 -2.91 119.74 111.21 2dmm s LYS 84 Ca 0.09 -1.28 -0.10 0.00 -1.00 0.00 0.00 55.97 53.68 2dmm s LYS 84 Cb 0.07 -0.71 0.05 0.00 -2.06 0.00 0.00 37.83 35.18 2dmm s LYS 84 CO -0.08 0.12 0.40 1.41 0.10 0.00 0.00 175.35 177.29 2dmm s MET 85 N -3.04 0.40 -0.75 1.78 1.75 -0.62 0.04 119.30 118.87 2dmm s MET 85 Ca 0.10 0.72 -0.20 0.00 -1.25 0.00 0.00 55.69 55.06 2dmm s MET 85 Cb -0.02 0.03 0.11 0.00 2.84 0.00 0.00 34.83 37.79 2dmm s MET 85 CO 0.01 -0.13 0.93 0.34 -0.65 0.00 0.00 175.02 175.52 2dmm s ASP 86 N 1.11 6.37 0.09 1.11 2.15 -1.26 -3.20 116.67 123.05 2dmm s ASP 86 Ca -0.07 -1.60 -0.34 0.00 0.43 0.00 0.00 52.55 50.97 2dmm s ASP 86 Cb -0.07 -2.36 -0.15 0.00 -0.30 0.00 0.00 42.92 40.04 2dmm s ASP 86 CO -0.09 -1.16 1.53 0.00 -0.17 0.00 0.00 175.17 175.28 2dmm h ALA 87 N 9.08 -1.03 -1.25 3.66 0.00 -1.69 0.79 119.26 128.82 2dmm h ALA 87 Ca -0.11 -0.13 0.36 0.00 0.00 0.00 0.00 54.91 55.03 2dmm h ALA 87 Cb 1.06 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 2dmm h ALA 87 CO 1.10 -1.13 1.13 0.00 0.00 0.00 0.00 179.25 180.36 2dmm h THR 88 N -0.80 0.10 0.00 0.00 1.03 -1.92 1.25 112.91 112.57 2dmm h THR 88 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.07 2dmm h THR 88 Cb 0.77 0.14 -0.06 0.00 -1.07 0.00 0.00 68.15 67.93 2dmm h THR 88 CO -0.21 0.00 -2.15 0.00 -0.01 0.00 0.00 175.52 173.14 2dmm n ALA 89 N -2.52 1.64 -3.76 0.00 0.00 -0.12 -4.88 120.51 110.87 2dmm n ALA 89 Ca 0.28 -1.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 2dmm n ALA 89 Cb 1.52 -0.41 -0.17 0.00 0.00 0.00 0.00 19.45 20.39 2dmm n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dmm s ASN 90 N -5.55 2.27 0.10 0.00 2.20 0.43 -3.93 114.94 110.46 2dmm s ASN 90 Ca -0.08 -0.46 -0.36 0.00 -0.94 0.00 0.00 52.86 51.02 2dmm s ASN 90 Cb 0.07 -0.53 -0.17 0.00 -2.00 0.00 0.00 41.25 38.62 2dmm s ASN 90 CO 0.83 -0.25 1.25 -0.67 -2.94 0.00 0.00 177.10 175.33 2dmm n ASP 91 N 5.09 1.34 -4.72 3.54 -0.08 -0.77 -3.99 116.55 116.96 2dmm n ASP 91 Ca -0.08 1.13 -0.41 0.00 -1.51 0.00 0.00 54.79 53.92 2dmm n ASP 91 Cb 0.49 -1.16 -0.04 0.00 2.34 0.00 0.00 41.12 42.74 2dmm n ASP 91 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dmm s VAL 92 N 0.24 4.68 0.00 5.18 1.01 -1.26 -4.73 120.40 125.52 2dmm s VAL 92 Ca 0.82 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.79 2dmm s VAL 92 Cb -0.96 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.13 2dmm s VAL 92 CO 0.49 0.27 0.00 -0.81 0.00 0.00 0.00 175.10 175.05 2dmm n PRO 93 N 3.21 -0.18 -4.40 2.72 -0.04 -1.25 -4.78 135.00 130.28 2dmm n PRO 93 Ca 0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 2dmm n PRO 93 Cb 0.50 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 2.96 0.00 3.54 0.01 -1.26 -3.18 113.70 114.26 2dmm s SER 94 Ca 0.00 -1.05 0.14 0.00 1.31 0.00 0.00 55.95 56.35 2dmm s SER 94 Cb 0.00 -0.20 0.64 0.00 0.21 0.00 0.00 66.02 66.67 2dmm s SER 94 CO 0.00 -0.13 1.44 -0.81 0.41 0.00 0.00 173.24 174.15 2dmm n PRO 95 N -0.50 0.06 -1.08 12.44 -0.04 -1.26 -4.30 135.00 140.32 2dmm n PRO 95 Ca -0.07 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 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 -1.44 0.85 -3.92 0.54 4.01 -1.19 -4.92 117.16 111.09 2dmm n TYR 96 Ca 0.04 0.73 -0.27 0.00 -0.16 0.00 0.00 57.90 58.24 2dmm n TYR 96 Cb 0.15 -1.42 -0.17 0.00 -0.31 0.00 0.00 39.34 37.59 2dmm n TYR 96 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2dmm s GLU 97 N 1.16 1.61 -0.40 -0.72 2.02 -1.26 -4.54 118.70 116.56 2dmm s GLU 97 Ca 0.65 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 55.38 2dmm s GLU 97 Cb -0.92 -1.66 0.11 0.00 0.10 0.00 0.00 34.13 31.76 2dmm s GLU 97 CO 0.47 -0.27 0.13 0.08 0.02 0.00 0.00 175.26 175.69 2dmm s VAL 98 N 1.68 2.19 -0.23 2.63 1.01 -1.26 -4.93 120.40 121.49 2dmm s VAL 98 Ca 0.05 -2.56 -0.06 0.00 0.00 0.00 0.00 61.98 59.41 2dmm s VAL 98 Cb -0.13 -2.59 -0.18 0.00 0.00 0.00 0.00 36.38 33.49 2dmm s VAL 98 CO -0.08 -0.68 -0.10 -1.14 0.00 0.00 0.00 175.10 173.09 2dmm n ARG 99 N 3.93 0.65 -4.57 2.72 0.00 -1.26 -4.95 116.66 113.18 2dmm n ARG 99 Ca 0.04 0.24 -0.26 0.00 -0.00 0.00 0.00 57.85 57.87 2dmm n ARG 99 Cb 0.39 -1.57 -0.17 0.00 0.00 0.00 0.00 32.46 31.11 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 -5.94 0.88 0.22 5.14 0.00 -1.26 -5.14 107.32 101.23 2dmm s GLY 100 Ca -0.33 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 43.88 2dmm s GLY 100 CO 0.61 0.15 0.40 -1.36 0.00 0.00 0.00 173.10 172.89 2dmm s PHE 101 N 0.76 3.48 0.87 1.90 0.40 -1.26 -4.20 117.98 119.93 2dmm s PHE 101 Ca -0.12 0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 2dmm s PHE 101 Cb -0.16 -1.79 0.11 0.00 0.51 0.00 0.00 43.02 41.70 2dmm s PHE 101 CO 0.03 0.37 1.09 -1.25 0.70 0.00 0.00 175.22 176.15 2dmm s PRO 102 N -3.58 1.47 -0.24 0.24 0.04 -1.26 -4.99 135.00 126.68 2dmm s PRO 102 Ca 0.37 0.90 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 2dmm s PRO 102 Cb -0.10 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.72 2dmm s PRO 102 CO 0.30 -2.12 0.25 0.99 0.04 0.00 0.00 177.00 176.46 2dmm s THR 103 N -2.93 -0.35 -0.10 1.26 2.01 -0.65 -5.04 115.64 109.85 2dmm s THR 103 Ca 0.63 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 2dmm s THR 103 Cb -0.18 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 2dmm s THR 103 CO 0.57 -0.33 0.28 -0.63 -0.69 0.00 0.00 174.62 173.82 2dmm s ILE 104 N 2.33 5.28 0.10 1.82 1.01 -1.26 -0.19 121.20 130.30 2dmm s ILE 104 Ca 0.08 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.29 2dmm s ILE 104 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2dmm s ILE 104 CO -0.21 0.52 -0.08 -0.31 0.00 0.00 0.00 174.94 174.87 2dmm s TYR 105 N -0.48 0.96 -0.04 3.97 2.02 0.99 -2.63 117.35 122.14 2dmm s TYR 105 Ca 0.18 -0.83 0.04 0.00 -0.37 0.00 0.00 57.07 56.08 2dmm s TYR 105 Cb -0.14 -0.54 -0.00 0.00 -0.40 0.00 0.00 41.96 40.88 2dmm s TYR 105 CO 0.07 -0.09 -0.14 0.12 -1.57 0.00 0.00 175.55 173.94 2dmm s PHE 106 N -3.31 1.47 -0.68 2.71 5.36 0.66 -1.17 117.98 123.01 2dmm s PHE 106 Ca 0.11 -0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 55.59 2dmm s PHE 106 Cb 0.03 -1.01 0.18 0.00 -0.34 0.00 0.00 43.02 41.88 2dmm s PHE 106 CO -0.03 -0.15 0.54 -1.54 -1.46 0.00 0.00 175.22 172.58 2dmm s SER 107 N 0.13 5.79 0.99 6.13 1.04 0.31 -2.92 113.70 125.17 2dmm s SER 107 Ca -0.04 -2.71 -0.12 0.00 0.48 0.00 0.00 55.95 53.55 2dmm s SER 107 Cb -0.11 -1.99 0.18 0.00 0.10 0.00 0.00 66.02 64.21 2dmm s SER 107 CO 0.02 -0.47 1.09 -2.16 0.98 0.00 0.00 173.24 172.70 2dmm s PRO 108 N 0.14 0.50 0.22 4.02 0.04 -1.26 -2.70 135.00 135.95 2dmm s PRO 108 Ca 0.16 0.55 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 2dmm s PRO 108 Cb -0.17 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2dmm s PRO 108 CO -0.05 -2.69 0.89 0.00 0.04 0.00 0.00 177.00 175.19 2dmm s ALA 109 N -2.96 3.37 -0.33 8.56 0.00 -1.26 -3.73 121.76 125.41 2dmm s ALA 109 Ca 0.65 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 2dmm s ALA 109 Cb -0.19 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2dmm s ALA 109 CO 0.58 0.23 0.09 0.09 0.00 0.00 0.00 175.76 176.75 2dmm n ASN 110 N 1.50 -1.36 -1.62 0.00 3.02 -1.26 -4.73 115.26 110.81 2dmm n ASN 110 Ca -0.03 0.24 -0.04 0.00 -0.03 0.00 0.00 54.58 54.73 2dmm n ASN 110 Cb 0.48 -1.28 0.08 0.00 -0.61 0.00 0.00 39.78 38.45 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 -2.74 1.78 0.34 3.52 5.02 -1.24 -4.87 118.16 119.97 2dmm n LYS 111 Ca 0.00 -3.27 -0.16 0.00 -2.02 0.00 0.00 58.31 52.87 2dmm n LYS 111 Cb 0.50 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.62 -0.84 -0.74 1.97 1.79 -1.85 -3.03 116.57 115.50 2dmm h LYS 112 Ca 0.02 0.06 0.29 0.00 -2.18 0.00 0.00 60.65 58.83 2dmm h LYS 112 Cb 1.40 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 32.11 2dmm h LYS 112 CO 0.26 -0.52 0.31 1.28 -1.08 0.00 0.00 179.45 179.70 2dmm n LEU 113 N -5.39 0.18 -3.60 2.94 7.99 -1.26 -2.83 117.00 115.03 2dmm n LEU 113 Ca -0.12 1.24 -0.29 0.00 -0.01 0.00 0.00 56.01 56.83 2dmm n LEU 113 Cb 0.37 -0.57 -0.13 0.00 -0.11 0.00 0.00 43.42 42.98 2dmm n LEU 113 CO 0.32 -1.36 -0.30 0.20 -1.51 0.00 0.00 177.39 174.74 2dmm s ASN 114 N -4.73 3.44 1.09 -1.43 0.01 -1.15 -4.97 114.94 107.20 2dmm s ASN 114 Ca -0.07 -2.16 -0.07 0.00 -0.71 0.00 0.00 52.86 49.84 2dmm s ASN 114 Cb 0.24 -0.70 0.11 0.00 0.41 0.00 0.00 41.25 41.32 2dmm s ASN 114 CO 0.58 -0.33 0.38 -0.81 -1.51 0.00 0.00 177.10 175.42 2dmm n PRO 115 N 4.12 -1.77 -3.80 -0.60 -0.04 -1.13 -4.87 135.00 126.92 2dmm n PRO 115 Ca 0.07 -0.61 -0.22 0.00 -0.04 0.00 0.00 63.50 62.69 2dmm n PRO 115 Cb 0.37 -0.57 -0.17 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.87 0.59 -0.20 0.54 -0.14 -1.15 -5.04 119.74 110.47 2dmm s LYS 116 Ca 0.25 0.10 -0.20 0.00 -1.36 0.00 0.00 55.97 54.76 2dmm s LYS 116 Cb -0.02 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 35.17 2dmm s LYS 116 CO 0.19 -0.28 0.58 0.21 -0.76 0.00 0.00 175.35 175.29 2dmm s LYS 117 N 1.87 4.21 -0.65 1.68 2.20 -1.26 -0.25 119.74 127.53 2dmm s LYS 117 Ca 0.03 0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 55.92 2dmm s LYS 117 Cb -0.12 -3.57 -0.12 0.00 -1.51 0.00 0.00 37.83 32.51 2dmm s LYS 117 CO -0.05 -0.19 2.43 0.98 -0.36 0.00 0.00 175.35 178.16 2dmm n TYR 118 N 4.91 1.21 -3.64 4.03 4.19 -1.08 -4.88 117.16 121.89 2dmm n TYR 118 Ca -0.03 0.09 -0.39 0.00 3.31 0.00 0.00 57.90 60.88 2dmm n TYR 118 Cb 0.50 -2.51 -0.09 0.00 0.49 0.00 0.00 39.34 37.73 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 8.50 2.54 0.00 2.98 0.41 -1.26 -4.77 118.70 127.10 2dmm s GLU 119 Ca 1.01 -2.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 2dmm s GLU 119 Cb -0.28 -3.83 0.00 0.00 -1.78 0.00 0.00 34.13 28.24 2dmm s GLU 119 CO 0.23 -1.17 0.00 0.41 -0.49 0.00 0.00 175.26 174.24 2dmm n GLY 120 N 4.16 1.24 3.75 -1.39 0.00 -1.26 -5.14 105.19 106.54 2dmm n GLY 120 Ca 0.02 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.13 2.82 -0.02 -0.02 0.00 -1.26 -4.94 107.32 103.76 2dmm s GLY 121 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 2dmm s GLY 121 CO 0.00 1.09 2.89 0.54 0.00 0.00 0.00 173.10 177.62 2dmm n ARG 122 N 2.68 1.60 -4.01 2.90 1.74 -1.26 -4.47 116.66 115.84 2dmm n ARG 122 Ca -0.02 -0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 56.05 2dmm n ARG 122 Cb 0.50 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.43 3.51 0.25 5.56 2.12 -1.26 -4.97 118.70 124.33 2dmm s GLU 123 Ca 0.38 -0.25 -0.14 0.00 0.36 0.00 0.00 54.97 55.32 2dmm s GLU 123 Cb 0.19 -3.12 0.32 0.00 0.26 0.00 0.00 34.13 31.78 2dmm s GLU 123 CO -0.01 0.62 1.56 1.25 -0.54 0.00 0.00 175.26 178.14 2dmm h LEU 124 N 5.52 -1.21 -0.16 2.70 7.12 -1.90 0.20 115.31 127.59 2dmm h LEU 124 Ca -0.49 0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.79 2dmm h LEU 124 Cb 1.20 0.69 -0.01 0.00 -0.53 0.00 0.00 40.66 42.01 2dmm h LEU 124 CO 0.61 -0.30 -0.00 0.28 -0.13 0.00 0.00 178.44 178.90 2dmm h SER 125 N -0.01 0.28 -1.11 1.25 0.02 -1.94 -2.89 113.55 109.15 2dmm h SER 125 Ca 0.39 -0.31 0.32 0.00 -0.84 0.00 0.00 61.79 61.34 2dmm h SER 125 Cb 0.64 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.00 2dmm h SER 125 CO -0.98 0.53 0.71 0.44 -1.14 0.00 0.00 176.83 176.38 2dmm h ASP 126 N 0.03 0.41 -0.18 3.07 5.19 -0.95 0.26 116.42 124.24 2dmm h ASP 126 Ca 0.05 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 56.47 2dmm h ASP 126 Cb 0.38 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 2dmm h ASP 126 CO 0.01 -0.01 -0.25 -0.26 -3.12 0.00 0.00 179.24 175.61 2dmm h PHE 127 N 0.31 0.60 0.46 4.55 0.04 -0.94 -0.98 116.94 120.98 2dmm h PHE 127 Ca 0.67 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 61.23 2dmm h PHE 127 Cb 1.80 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.82 2dmm h PHE 127 CO -0.00 0.89 -0.33 0.82 -0.60 0.00 0.00 178.31 179.08 2dmm h ILE 128 N 0.14 0.32 0.00 -0.55 2.04 -0.39 -1.89 117.51 117.18 2dmm h ILE 128 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2dmm h ILE 128 Cb 0.82 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2dmm h ILE 128 CO 0.06 0.00 -0.14 -1.28 0.00 0.00 0.00 178.15 176.79 2dmm h SER 129 N -0.78 0.00 0.05 1.72 0.87 -1.32 -1.77 113.55 112.32 2dmm h SER 129 Ca -0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2dmm h SER 129 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2dmm h SER 129 CO 0.02 0.14 -0.02 0.22 -0.53 0.00 0.00 176.83 176.65 2dmm h TYR 130 N 0.00 -0.06 -0.22 2.24 5.03 -0.54 -3.19 116.97 120.22 2dmm h TYR 130 Ca -0.00 -0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.14 2dmm h TYR 130 Cb 0.39 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2dmm h TYR 130 CO 0.00 0.14 -0.49 -0.07 -1.32 0.00 0.00 178.16 176.42 2dmm h LEU 131 N -0.26 0.82 -0.90 2.82 3.38 -1.18 -0.14 115.31 119.84 2dmm h LEU 131 Ca -0.01 -0.56 0.37 0.00 0.09 0.00 0.00 57.88 57.78 2dmm h LEU 131 Cb 0.24 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 2dmm h LEU 131 CO 0.01 1.23 0.49 0.00 0.09 0.00 0.00 178.44 180.26 2dmm n GLN 132 N -4.13 -0.05 -0.12 1.13 6.02 -0.68 0.55 117.38 120.10 2dmm n GLN 132 Ca -0.06 1.22 -0.24 0.00 -0.01 0.00 0.00 57.00 57.91 2dmm n GLN 132 Cb 0.59 -2.20 -0.08 0.00 1.02 0.00 0.00 30.24 29.57 2dmm n GLN 132 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2dmm n ARG 133 N -4.99 0.52 0.07 -1.09 1.85 -1.21 -4.58 116.66 107.24 2dmm n ARG 133 Ca 0.34 0.23 -0.13 0.00 -1.00 0.00 0.00 57.85 57.28 2dmm n ARG 133 Cb 1.15 -1.38 -0.07 0.00 -1.05 0.00 0.00 32.46 31.12 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 -0.90 -0.56 -7.05 2.89 4.39 -0.38 -3.42 114.58 109.56 2dmm h GLU 134 Ca -0.55 0.04 -0.53 0.00 0.34 0.00 0.00 59.36 58.66 2dmm h GLU 134 Cb 1.46 0.13 0.11 0.00 -0.10 0.00 0.00 28.75 30.35 2dmm h GLU 134 CO -0.33 -0.37 0.53 0.00 -1.16 0.00 0.00 179.01 177.67 2dmm s ALA 135 N -5.92 2.78 -0.07 3.43 0.00 0.19 -4.97 121.76 117.21 2dmm s ALA 135 Ca -0.16 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 2dmm s ALA 135 Cb 0.08 -3.47 -0.23 0.00 0.00 0.00 0.00 23.12 19.50 2dmm s ALA 135 CO 0.64 -1.07 1.02 1.79 0.00 0.00 0.00 175.76 178.13 2dmm h THR 136 N 1.41 1.58 -0.06 0.00 1.35 -1.83 -3.36 112.91 111.99 2dmm h THR 136 Ca -0.50 -1.83 0.01 0.00 -0.55 0.00 0.00 66.41 63.54 2dmm h THR 136 Cb 1.28 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 70.47 2dmm h THR 136 CO 0.58 0.48 -0.05 0.28 -0.25 0.00 0.00 175.52 176.56 2dmm h SER 137 N -0.65 -0.17 -4.10 5.36 0.02 -1.93 -3.48 113.55 108.60 2dmm h SER 137 Ca -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2dmm h SER 137 Cb 0.84 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2dmm h SER 137 CO 0.02 -0.03 -0.59 0.61 -1.14 0.00 0.00 176.83 175.70 2dmm n GLY 138 N -1.03 -4.20 0.08 -3.77 0.00 -1.26 -4.87 105.19 90.15 2dmm n GLY 138 Ca -0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 1.41 0.10 -2.87 1.61 0.13 -1.93 -3.45 132.00 126.99 2dmm h PRO 139 Ca 0.00 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.90 2dmm h PRO 139 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 2dmm h PRO 139 CO 0.00 0.56 -0.45 -1.12 -0.23 0.00 0.00 178.00 176.75 2dmm s SER 140 N -5.81 -0.13 -0.02 1.44 0.01 -1.26 -5.11 113.70 102.81 2dmm s SER 140 Ca -0.15 0.65 0.01 0.00 1.31 0.00 0.00 55.95 57.77 2dmm s SER 140 Cb 0.03 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.90 2dmm s SER 140 CO 0.70 -0.20 -0.04 -0.44 0.41 0.00 0.00 173.24 173.67 2dmm s SER 141 N 1.72 0.69 0.00 2.44 0.01 -1.26 -5.09 113.70 112.21 2dmm s SER 141 Ca -0.06 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dmm s SER 141 Cb -0.11 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2dmm s SER 141 CO -0.10 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.15