#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdu n THR 2 N 0.00 2.28 -4.09 0.00 -1.04 -1.26 -5.02 114.28 105.14 2jdu n THR 2 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 2jdu n THR 2 Cb 0.00 -1.43 -0.11 0.00 -1.82 0.00 0.00 70.33 66.97 2jdu n THR 2 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jdu s GLN 3 N -1.99 0.62 0.00 -2.82 -1.52 -1.26 -4.86 119.66 107.83 2jdu s GLN 3 Ca 0.59 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 53.05 2jdu s GLN 3 Cb -0.56 -0.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.99 2jdu s GLN 3 CO 0.60 0.02 0.00 0.41 -0.25 0.00 0.00 175.29 176.07 2jdu n GLY 4 N 0.96 0.44 3.21 3.09 0.00 -1.26 -4.92 105.19 106.71 2jdu n GLY 4 Ca -0.19 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2jdu n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdu s VAL 5 N -2.00 2.19 0.00 1.61 1.01 -1.26 -0.63 120.40 121.32 2jdu s VAL 5 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2jdu s VAL 5 Cb 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2jdu s VAL 5 CO 0.00 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.21 2jdu s PHE 6 N 0.63 0.70 -0.40 5.22 0.08 0.16 -5.01 117.98 119.36 2jdu s PHE 6 Ca -0.11 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 56.61 2jdu s PHE 6 Cb -0.16 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 2jdu s PHE 6 CO 0.02 -0.02 0.30 0.99 -0.10 0.00 0.00 175.22 176.42 2jdu s THR 7 N -0.36 5.25 0.47 0.64 2.01 -1.26 -1.10 115.64 121.30 2jdu s THR 7 Ca 0.01 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 2jdu s THR 7 Cb -0.04 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2jdu s THR 7 CO -0.00 -0.27 0.74 -0.76 -0.69 0.00 0.00 174.62 173.64 2jdu s LEU 8 N 1.71 3.65 0.52 4.42 1.02 0.27 -5.02 118.68 125.25 2jdu s LEU 8 Ca 0.06 0.70 -0.22 0.00 0.02 0.00 0.00 54.13 54.68 2jdu s LEU 8 Cb -0.19 -3.60 -0.06 0.00 0.02 0.00 0.00 46.19 42.36 2jdu s LEU 8 CO 0.10 -0.62 1.30 -0.81 0.02 0.00 0.00 176.35 176.35 2jdu n PRO 9 N -2.19 1.70 -1.94 1.29 -0.04 -1.26 -4.44 135.00 128.12 2jdu n PRO 9 Ca 0.00 0.62 -0.36 0.00 -0.04 0.00 0.00 63.50 63.72 2jdu n PRO 9 Cb 0.56 -2.49 0.04 0.00 -0.04 0.00 0.00 33.50 31.57 2jdu n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jdu s ALA 10 N -1.29 2.50 -1.47 0.55 0.00 -1.26 -3.81 121.76 116.99 2jdu s ALA 10 Ca 0.69 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 2jdu s ALA 10 Cb -0.44 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.26 2jdu s ALA 10 CO 0.52 -1.28 1.05 0.09 0.00 0.00 0.00 175.76 176.13 2jdu n ASN 11 N -1.69 -5.19 -4.19 0.00 3.02 0.60 -4.88 115.26 102.93 2jdu n ASN 11 Ca 0.14 -0.70 -0.31 0.00 -0.03 0.00 0.00 54.58 53.68 2jdu n ASN 11 Cb 0.49 -4.29 -0.17 0.00 -0.61 0.00 0.00 39.78 35.20 2jdu n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdu s THR 12 N -3.32 1.98 0.30 3.41 2.01 -1.25 -4.86 115.64 113.90 2jdu s THR 12 Ca 0.61 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 2jdu s THR 12 Cb -0.29 -1.72 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 2jdu s THR 12 CO 0.80 0.54 1.14 -0.13 -0.69 0.00 0.00 174.62 176.28 2jdu s ARG 13 N 0.46 4.55 0.04 4.92 0.52 -1.26 -0.41 118.95 127.77 2jdu s ARG 13 Ca -0.16 1.88 -0.01 0.00 -0.52 0.00 0.00 55.73 56.92 2jdu s ARG 13 Cb -0.17 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 2jdu s ARG 13 CO 0.07 0.10 -0.03 -0.59 0.02 0.00 0.00 175.30 174.87 2jdu s PHE 14 N -1.18 0.45 0.04 -0.53 -0.71 0.31 -4.09 117.98 112.27 2jdu s PHE 14 Ca 0.46 -0.93 -0.02 0.00 -1.04 0.00 0.00 56.93 55.41 2jdu s PHE 14 Cb -0.33 -0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 2jdu s PHE 14 CO 0.43 -0.33 0.22 0.20 -1.34 0.00 0.00 175.22 174.40 2jdu s GLY 15 N -2.54 2.20 -0.03 1.99 0.00 -0.01 -1.04 107.32 107.88 2jdu s GLY 15 Ca 0.01 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.98 2jdu s GLY 15 CO -0.08 -0.69 -0.03 0.54 0.00 0.00 0.00 173.10 172.84 2jdu s VAL 16 N -1.44 0.40 -0.03 1.40 0.11 -0.13 -1.32 120.40 119.40 2jdu s VAL 16 Ca 0.32 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2jdu s VAL 16 Cb -0.13 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2jdu s VAL 16 CO 0.23 0.18 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.28 2jdu s THR 17 N 0.71 0.22 -0.05 5.04 2.01 -0.19 -1.07 115.64 122.32 2jdu s THR 17 Ca -0.08 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.00 2jdu s THR 17 Cb -0.12 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 2jdu s THR 17 CO -0.00 0.14 -0.24 0.00 -0.69 0.00 0.00 174.62 173.83 2jdu s ALA 18 N 0.82 2.23 0.09 7.40 0.00 -0.34 -0.80 121.76 131.16 2jdu s ALA 18 Ca -0.08 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 50.91 2jdu s ALA 18 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2jdu s ALA 18 CO -0.01 0.46 -0.21 -0.06 0.00 0.00 0.00 175.76 175.93 2jdu s PHE 19 N -0.32 2.46 -0.02 0.00 0.08 0.72 -0.76 117.98 120.14 2jdu s PHE 19 Ca 0.01 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 56.84 2jdu s PHE 19 Cb -0.12 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 2jdu s PHE 19 CO 0.02 0.31 -0.26 0.00 -0.10 0.00 0.00 175.22 175.19 2jdu s ALA 20 N -1.02 2.18 -0.43 5.36 0.00 -0.77 -1.09 121.76 125.99 2jdu s ALA 20 Ca 0.15 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2jdu s ALA 20 Cb -0.10 -0.57 0.24 0.00 0.00 0.00 0.00 23.12 22.69 2jdu s ALA 20 CO 0.07 0.53 0.64 0.09 0.00 0.00 0.00 175.76 177.09 2jdu n ASN 21 N 2.42 -1.04 -3.52 0.00 3.02 -0.22 -2.05 115.26 113.87 2jdu n ASN 21 Ca -0.16 -2.89 -0.14 0.00 -0.03 0.00 0.00 54.58 51.36 2jdu n ASN 21 Cb 0.51 0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.92 2jdu n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jdu s SER 22 N -1.21 -0.53 0.50 6.41 0.15 0.38 -4.00 113.70 115.41 2jdu s SER 22 Ca 0.34 0.24 0.31 0.00 0.70 0.00 0.00 55.95 57.54 2jdu s SER 22 Cb 0.18 0.53 1.22 0.00 -1.71 0.00 0.00 66.02 66.24 2jdu s SER 22 CO -0.16 -0.77 1.92 0.77 1.20 0.00 0.00 173.24 176.20 2jdu h SER 23 N 2.59 0.00 -2.82 5.45 4.64 -1.96 -3.32 113.55 118.13 2jdu h SER 23 Ca -0.31 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.37 2jdu h SER 23 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2jdu h SER 23 CO 0.40 0.00 -0.46 0.20 -0.87 0.00 0.00 176.83 176.10 2jdu s ASN 24 N -5.57 6.40 0.18 4.97 0.01 -1.26 -4.94 114.94 114.74 2jdu s ASN 24 Ca 0.02 0.42 -0.32 0.00 -0.71 0.00 0.00 52.86 52.27 2jdu s ASN 24 Cb 0.09 -2.03 -0.11 0.00 0.41 0.00 0.00 41.25 39.60 2jdu s ASN 24 CO 0.54 0.27 1.67 -0.89 -1.51 0.00 0.00 177.10 177.19 2jdu s THR 25 N -1.29 2.31 -0.12 1.60 2.01 -1.26 -4.72 115.64 114.16 2jdu s THR 25 Ca 0.26 0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.38 2jdu s THR 25 Cb -0.13 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2jdu s THR 25 CO 0.17 0.01 0.13 -1.10 -0.69 0.00 0.00 174.62 173.14 2jdu s GLN 26 N 1.33 3.48 -0.17 4.92 -1.52 -0.11 -4.38 119.66 123.20 2jdu s GLN 26 Ca 0.74 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 54.00 2jdu s GLN 26 Cb -0.47 -3.19 0.01 0.00 -0.22 0.00 0.00 33.01 29.14 2jdu s GLN 26 CO 0.32 0.74 -0.17 0.99 -0.25 0.00 0.00 175.29 176.92 2jdu s THR 27 N -0.91 2.40 -0.19 -0.19 2.01 0.01 -1.48 115.64 117.30 2jdu s THR 27 Ca 0.14 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2jdu s THR 27 Cb -0.12 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 2jdu s THR 27 CO 0.03 0.52 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 2jdu s VAL 28 N 1.13 3.04 -0.07 3.82 1.01 0.13 -0.79 120.40 128.66 2jdu s VAL 28 Ca 0.01 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2jdu s VAL 28 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jdu s VAL 28 CO -0.07 0.47 -0.14 0.20 0.00 0.00 0.00 175.10 175.57 2jdu s ASN 29 N 1.14 4.03 -0.18 3.32 0.01 0.09 -1.34 114.94 122.00 2jdu s ASN 29 Ca 0.01 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 51.94 2jdu s ASN 29 Cb -0.14 -1.00 0.01 0.00 0.41 0.00 0.00 41.25 40.52 2jdu s ASN 29 CO -0.03 0.31 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.02 2jdu s VAL 30 N -0.52 2.45 -0.08 1.60 1.01 -0.03 -0.94 120.40 123.88 2jdu s VAL 30 Ca 0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2jdu s VAL 30 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2jdu s VAL 30 CO 0.02 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 2jdu s LEU 31 N 1.20 3.53 -0.08 3.92 1.02 0.63 -0.14 118.68 128.76 2jdu s LEU 31 Ca 0.02 0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.32 2jdu s LEU 31 Cb -0.14 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.27 2jdu s LEU 31 CO -0.08 0.37 -0.15 -0.69 0.02 0.00 0.00 176.35 175.82 2jdu s VAL 32 N -0.88 1.42 -1.59 -1.59 1.01 -0.03 -0.97 120.40 117.77 2jdu s VAL 32 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2jdu s VAL 32 Cb -0.11 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.09 2jdu s VAL 32 CO 0.02 0.42 0.63 -3.20 0.00 0.00 0.00 175.10 172.97 2jdu n ASN 33 N 3.86 -2.13 -1.15 3.32 2.85 -0.65 -1.62 115.26 119.72 2jdu n ASN 33 Ca -0.21 -1.02 -0.15 0.00 -0.11 0.00 0.00 54.58 53.10 2jdu n ASN 33 Cb 0.52 -2.83 -0.06 0.00 1.24 0.00 0.00 39.78 38.65 2jdu n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2jdu n ASN 34 N -2.78 -4.73 -4.24 1.20 5.03 -1.26 -5.00 115.26 103.48 2jdu n ASN 34 Ca -0.08 0.33 -0.30 0.00 0.87 0.00 0.00 54.58 55.40 2jdu n ASN 34 Cb 0.57 -3.54 -0.16 0.00 -1.02 0.00 0.00 39.78 35.63 2jdu n ASN 34 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2jdu s GLU 35 N -3.34 2.34 0.18 3.52 -1.05 -0.64 -5.09 118.70 114.62 2jdu s GLU 35 Ca 0.00 -0.84 -0.33 0.00 -0.15 0.00 0.00 54.97 53.66 2jdu s GLU 35 Cb 0.00 -2.01 -0.13 0.00 -0.44 0.00 0.00 34.13 31.56 2jdu s GLU 35 CO 0.00 0.36 1.67 2.41 0.95 0.00 0.00 175.26 180.65 2jdu n THR 36 N 2.96 0.02 0.00 1.83 -1.04 -1.26 -0.85 114.28 115.94 2jdu n THR 36 Ca -0.17 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2jdu n THR 36 Cb 0.52 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 2jdu n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jdu n ALA 37 N 3.81 1.64 -3.31 2.41 0.00 0.80 -4.87 120.51 120.98 2jdu n ALA 37 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2jdu n ALA 37 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 2jdu n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdu s ALA 38 N -1.63 -1.03 -0.06 0.00 0.00 -0.98 -4.99 121.76 113.06 2jdu s ALA 38 Ca 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 2jdu s ALA 38 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2jdu s ALA 38 CO 0.00 -0.26 0.15 -0.08 0.00 0.00 0.00 175.76 175.57 2jdu s THR 39 N -0.84 -0.03 0.00 0.00 -1.32 -1.26 -0.85 115.64 111.34 2jdu s THR 39 Ca -0.09 0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 2jdu s THR 39 Cb -0.04 -0.24 -0.01 0.00 -1.51 0.00 0.00 72.50 70.71 2jdu s THR 39 CO 0.04 0.04 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.03 2jdu s PHE 40 N 0.69 0.93 0.02 9.09 0.08 -0.45 -5.00 117.98 123.35 2jdu s PHE 40 Ca -0.05 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.79 2jdu s PHE 40 Cb -0.07 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.78 2jdu s PHE 40 CO -0.03 -0.01 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.91 2jdu s SER 41 N -0.44 0.41 0.00 1.36 0.01 -1.26 -0.70 113.70 113.08 2jdu s SER 41 Ca 0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2jdu s SER 41 Cb -0.05 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2jdu s SER 41 CO -0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2jdu n GLY 42 N 1.86 1.27 3.18 3.44 0.00 -0.55 -4.96 105.19 109.44 2jdu n GLY 42 Ca -0.21 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 2jdu n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdu s GLN 43 N -2.00 2.73 -0.17 1.61 -0.44 -1.26 -0.94 119.66 119.19 2jdu s GLN 43 Ca 0.00 -0.78 -0.24 0.00 -2.50 0.00 0.00 55.36 51.84 2jdu s GLN 43 Cb 0.00 -2.10 0.06 0.00 -1.64 0.00 0.00 33.01 29.33 2jdu s GLN 43 CO 0.00 0.16 0.63 0.45 0.50 0.00 0.00 175.29 177.03 2jdu s SER 44 N 0.38 -0.64 -0.18 6.67 0.15 -1.25 -5.01 113.70 113.82 2jdu s SER 44 Ca -0.17 1.05 0.17 0.00 0.70 0.00 0.00 55.95 57.70 2jdu s SER 44 Cb -0.17 1.03 0.52 0.00 -1.71 0.00 0.00 66.02 65.69 2jdu s SER 44 CO 0.08 -0.35 1.41 0.35 1.20 0.00 0.00 173.24 175.93 2jdu n THR 45 N 2.11 2.28 -2.22 6.45 -2.24 -1.26 -0.47 114.28 118.92 2jdu n THR 45 Ca -0.16 -1.92 0.03 0.00 -2.27 0.00 0.00 64.05 59.73 2jdu n THR 45 Cb 0.56 -0.26 0.08 0.00 -2.10 0.00 0.00 70.33 68.61 2jdu n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jdu n ASN 46 N -0.57 1.42 -2.07 3.42 3.02 -1.26 -4.88 115.26 114.34 2jdu n ASN 46 Ca 0.22 -2.67 -0.17 0.00 -0.03 0.00 0.00 54.58 51.93 2jdu n ASN 46 Cb 0.89 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.68 2jdu n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jdu n ASN 47 N -0.13 -4.93 -4.70 6.41 5.15 -0.87 -4.94 115.26 111.25 2jdu n ASN 47 Ca 0.12 -0.10 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 2jdu n ASN 47 Cb 0.97 -3.93 0.01 0.00 -0.53 0.00 0.00 39.78 36.30 2jdu n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdu n ALA 48 N -2.36 1.27 -2.55 5.20 0.00 -1.22 -4.64 120.51 116.21 2jdu n ALA 48 Ca -0.15 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 2jdu n ALA 48 Cb 0.62 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 2jdu n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jdu s VAL 49 N -1.20 3.86 -0.94 0.00 1.01 -1.26 -1.85 120.40 120.03 2jdu s VAL 49 Ca 0.61 -0.45 0.19 0.00 0.00 0.00 0.00 61.98 62.32 2jdu s VAL 49 Cb -0.51 -5.01 0.16 0.00 0.00 0.00 0.00 36.38 31.02 2jdu s VAL 49 CO 0.58 -1.91 1.59 2.30 0.00 0.00 0.00 175.10 177.67 2jdu n ILE 50 N 6.77 0.77 -3.64 2.22 -5.35 0.06 -4.81 119.36 115.38 2jdu n ILE 50 Ca 0.25 0.18 -0.03 0.00 -0.27 0.00 0.00 62.75 62.89 2jdu n ILE 50 Cb 0.50 -0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 37.47 2jdu n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jdu s GLY 51 N -3.08 -0.05 -0.02 3.28 0.00 -1.22 -4.39 107.32 101.85 2jdu s GLY 51 Ca 0.08 2.42 -0.04 0.00 0.00 0.00 0.00 44.72 47.18 2jdu s GLY 51 CO 0.34 0.91 0.09 -1.08 0.00 0.00 0.00 173.10 173.36 2jdu s THR 52 N -1.46 0.04 0.03 0.90 -1.32 -1.26 -1.20 115.64 111.38 2jdu s THR 52 Ca 0.09 -0.31 -0.17 0.00 -1.21 0.00 0.00 61.69 60.09 2jdu s THR 52 Cb -0.01 -0.23 0.03 0.00 -1.51 0.00 0.00 72.50 70.78 2jdu s THR 52 CO -0.06 -0.17 0.37 -1.58 -2.21 0.00 0.00 174.62 170.97 2jdu s GLN 53 N -0.54 0.86 -0.20 7.08 2.00 -0.23 -5.00 119.66 123.62 2jdu s GLN 53 Ca -0.06 -0.37 -0.07 0.00 -2.00 0.00 0.00 55.36 52.86 2jdu s GLN 53 Cb -0.04 0.38 -0.03 0.00 0.80 0.00 0.00 33.01 34.12 2jdu s GLN 53 CO 0.00 -0.28 0.05 0.08 -0.50 0.00 0.00 175.29 174.64 2jdu s VAL 54 N -2.31 4.44 0.26 1.34 1.01 -1.26 -0.95 120.40 122.92 2jdu s VAL 54 Ca -0.06 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2jdu s VAL 54 Cb -0.01 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2jdu s VAL 54 CO -0.01 0.42 -0.04 -0.76 0.00 0.00 0.00 175.10 174.70 2jdu s LEU 55 N 0.87 2.39 -0.12 3.92 1.43 -0.21 -4.97 118.68 121.99 2jdu s LEU 55 Ca 0.03 -1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 2jdu s LEU 55 Cb -0.14 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 2jdu s LEU 55 CO 0.02 -0.40 -0.05 0.21 0.23 0.00 0.00 176.35 176.36 2jdu s ASN 56 N -3.39 4.74 0.40 2.29 3.84 -1.26 -0.53 114.94 121.02 2jdu s ASN 56 Ca 0.29 -0.08 0.28 0.00 0.21 0.00 0.00 52.86 53.56 2jdu s ASN 56 Cb 0.04 -1.55 1.16 0.00 -0.55 0.00 0.00 41.25 40.35 2jdu s ASN 56 CO 0.11 0.25 1.84 0.77 -2.79 0.00 0.00 177.10 177.28 2jdu h SER 57 N 6.10 0.00 -3.13 -4.21 4.64 -1.04 -3.47 113.55 112.45 2jdu h SER 57 Ca -0.38 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 2jdu h SER 57 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2jdu h SER 57 CO 0.58 0.00 -0.06 0.61 -0.87 0.00 0.00 176.83 177.09 2jdu n GLY 58 N 0.04 -1.80 0.24 -0.77 0.00 -1.26 -2.39 105.19 99.25 2jdu n GLY 58 Ca 0.01 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.81 2jdu n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdu h SER 59 N -0.16 0.00 0.72 1.61 4.64 -1.94 0.18 113.55 118.59 2jdu h SER 59 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2jdu h SER 59 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2jdu h SER 59 CO 0.00 0.12 -1.38 -1.54 -0.87 0.00 0.00 176.83 173.15 2jdu n SER 60 N -4.24 0.83 0.00 4.97 3.41 -1.26 -4.78 113.62 112.55 2jdu n SER 60 Ca -0.03 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2jdu n SER 60 Cb 0.20 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2jdu n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdu n GLY 61 N 1.37 0.99 3.65 5.00 0.00 -1.00 -4.86 105.19 110.33 2jdu n GLY 61 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2jdu n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdu s LYS 62 N -0.23 4.19 -0.11 1.61 2.20 -1.26 -0.57 119.74 125.59 2jdu s LYS 62 Ca 0.00 0.90 0.04 0.00 -0.36 0.00 0.00 55.97 56.54 2jdu s LYS 62 Cb 0.00 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2jdu s LYS 62 CO 0.00 -0.46 -0.23 0.08 -0.36 0.00 0.00 175.35 174.37 2jdu s VAL 63 N 2.65 2.05 -0.04 4.02 1.01 -0.26 -1.64 120.40 128.18 2jdu s VAL 63 Ca 0.34 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2jdu s VAL 63 Cb -0.16 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2jdu s VAL 63 CO 0.08 0.56 -0.18 -1.58 0.00 0.00 0.00 175.10 173.98 2jdu s GLN 64 N 0.44 1.76 -0.15 2.72 0.74 -0.14 -0.67 119.66 124.37 2jdu s GLN 64 Ca -0.17 -0.63 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 2jdu s GLN 64 Cb -0.17 -1.55 -0.03 0.00 1.10 0.00 0.00 33.01 32.35 2jdu s GLN 64 CO 0.07 0.27 0.02 0.08 -0.55 0.00 0.00 175.29 175.18 2jdu s VAL 65 N -0.04 4.45 0.04 1.34 1.01 0.19 -0.27 120.40 127.12 2jdu s VAL 65 Ca -0.02 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2jdu s VAL 65 Cb -0.11 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2jdu s VAL 65 CO 0.02 0.51 -0.20 -1.10 0.00 0.00 0.00 175.10 174.33 2jdu s GLN 66 N -0.00 1.35 -0.03 2.72 -0.21 -0.12 -4.76 119.66 118.60 2jdu s GLN 66 Ca 0.04 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.54 2jdu s GLN 66 Cb -0.13 -1.44 0.01 0.00 1.00 0.00 0.00 33.01 32.45 2jdu s GLN 66 CO 0.02 0.37 -0.09 0.08 -2.12 0.00 0.00 175.29 173.55 2jdu s VAL 67 N -0.78 0.76 0.06 1.09 1.01 -1.26 -0.74 120.40 120.55 2jdu s VAL 67 Ca 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2jdu s VAL 67 Cb -0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2jdu s VAL 67 CO 0.02 0.24 -0.04 -0.94 0.00 0.00 0.00 175.10 174.38 2jdu s SER 68 N 0.29 0.63 -0.18 3.32 1.04 0.03 0.03 113.70 118.84 2jdu s SER 68 Ca -0.05 -1.01 -0.00 0.00 0.48 0.00 0.00 55.95 55.37 2jdu s SER 68 Cb -0.09 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.25 2jdu s SER 68 CO 0.01 -0.57 -0.05 -0.69 0.98 0.00 0.00 173.24 172.91 2jdu s VAL 69 N -3.86 1.19 -1.50 5.02 1.01 -0.34 -0.81 120.40 121.12 2jdu s VAL 69 Ca 0.08 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 2jdu s VAL 69 Cb 0.07 -1.41 0.08 0.00 0.00 0.00 0.00 36.38 35.12 2jdu s VAL 69 CO -0.09 0.06 0.89 0.59 0.00 0.00 0.00 175.10 176.55 2jdu n ASN 70 N 4.83 -4.83 0.00 3.32 3.02 -1.26 -1.20 115.26 119.14 2jdu n ASN 70 Ca -0.12 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2jdu n ASN 70 Cb 0.47 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 2jdu n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jdu n GLY 71 N -1.61 1.63 3.59 7.41 0.00 -1.26 -5.03 105.19 109.92 2jdu n GLY 71 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2jdu n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jdu s ARG 72 N -0.28 3.89 0.33 1.61 3.52 -0.34 -5.05 118.95 122.63 2jdu s ARG 72 Ca 0.00 0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.36 2jdu s ARG 72 Cb 0.00 -3.71 -0.11 0.00 -1.56 0.00 0.00 34.95 29.57 2jdu s ARG 72 CO 0.00 -0.42 1.55 -2.30 -0.81 0.00 0.00 175.30 173.32 2jdu n PRO 73 N 5.53 2.69 -3.26 5.12 -0.02 -1.26 -1.20 135.00 142.60 2jdu n PRO 73 Ca -0.06 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 2jdu n PRO 73 Cb 0.50 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 2jdu n PRO 73 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jdu s SER 74 N 0.25 6.55 0.29 2.55 0.01 0.10 -4.89 113.70 118.57 2jdu s SER 74 Ca 0.60 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 2jdu s SER 74 Cb -0.49 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 2jdu s SER 74 CO 0.54 -0.19 1.05 -1.81 0.41 0.00 0.00 173.24 173.25 2jdu s ASP 75 N -2.80 7.27 0.26 2.44 1.01 -1.15 -4.71 116.67 118.99 2jdu s ASP 75 Ca 0.47 2.15 0.11 0.00 0.71 0.00 0.00 52.55 55.99 2jdu s ASP 75 Cb -0.11 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 2jdu s ASP 75 CO 0.26 -0.13 -0.14 -0.76 0.21 0.00 0.00 175.17 174.61 2jdu s LEU 76 N -1.60 2.77 -0.00 1.23 1.43 -1.26 -1.42 118.68 119.83 2jdu s LEU 76 Ca 0.46 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2jdu s LEU 76 Cb -0.29 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2jdu s LEU 76 CO 0.36 0.04 -0.08 0.54 0.23 0.00 0.00 176.35 177.44 2jdu s VAL 77 N -2.30 0.65 0.16 -1.59 0.11 -0.39 -4.85 120.40 112.19 2jdu s VAL 77 Ca 0.29 -0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 2jdu s VAL 77 Cb -0.06 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2jdu s VAL 77 CO 0.16 0.14 0.40 -0.94 -3.33 0.00 0.00 175.10 171.53 2jdu s SER 78 N -0.31 -0.14 -0.00 3.54 1.04 -1.26 -0.43 113.70 116.13 2jdu s SER 78 Ca 0.02 -0.58 -0.28 0.00 0.48 0.00 0.00 55.95 55.59 2jdu s SER 78 Cb -0.04 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.68 2jdu s SER 78 CO -0.00 -0.94 0.87 0.00 0.98 0.00 0.00 173.24 174.15 2jdu s ALA 79 N -3.89 -1.81 0.01 5.32 0.00 -0.85 -4.93 121.76 115.60 2jdu s ALA 79 Ca 0.10 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.14 2jdu s ALA 79 Cb 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2jdu s ALA 79 CO -0.04 -0.67 -0.20 -1.14 0.00 0.00 0.00 175.76 173.70 2jdu s GLN 80 N -3.03 2.14 0.02 0.00 0.74 -1.26 -0.58 119.66 117.68 2jdu s GLN 80 Ca 0.04 -0.92 0.05 0.00 0.05 0.00 0.00 55.36 54.58 2jdu s GLN 80 Cb -0.01 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.92 2jdu s GLN 80 CO -0.08 0.56 -0.14 0.14 -0.55 0.00 0.00 175.29 175.22 2jdu s VAL 81 N -0.78 1.11 -0.08 1.34 -7.23 0.29 -5.00 120.40 110.05 2jdu s VAL 81 Ca 0.12 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2jdu s VAL 81 Cb -0.10 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.88 2jdu s VAL 81 CO 0.02 0.12 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.19 2jdu s ILE 82 N -0.64 1.13 -0.07 -0.62 1.01 -1.26 -0.99 121.20 119.76 2jdu s ILE 82 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2jdu s ILE 82 Cb -0.07 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2jdu s ILE 82 CO 0.01 0.36 0.01 -0.76 0.00 0.00 0.00 174.94 174.56 2jdu s LEU 83 N 0.97 3.61 -1.08 2.97 1.43 0.17 -4.55 118.68 122.20 2jdu s LEU 83 Ca -0.09 0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 2jdu s LEU 83 Cb -0.15 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.27 2jdu s LEU 83 CO 0.00 0.36 0.36 1.07 0.23 0.00 0.00 176.35 178.37 2jdu n THR 84 N 1.95 -0.50 -1.59 5.49 5.66 -1.26 -0.92 114.28 123.11 2jdu n THR 84 Ca -0.18 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.64 2jdu n THR 84 Cb 0.53 -1.06 -0.07 0.00 -1.55 0.00 0.00 70.33 68.18 2jdu n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdu n ASN 85 N -2.10 -4.82 0.00 1.09 5.15 -1.26 -4.64 115.26 108.68 2jdu n ASN 85 Ca 0.01 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 2jdu n ASN 85 Cb 0.51 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.47 2jdu n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jdu n GLU 86 N -2.26 0.00 -3.52 1.20 -0.58 -0.34 -5.08 120.64 110.06 2jdu n GLU 86 Ca -0.18 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.17 2jdu n GLU 86 Cb 0.60 -0.38 -0.10 0.00 -0.57 0.00 0.00 31.44 30.99 2jdu n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jdu s LEU 87 N -2.03 4.05 -0.08 -4.62 2.96 -0.10 -4.38 118.68 114.49 2jdu s LEU 87 Ca 0.00 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2jdu s LEU 87 Cb 0.00 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2jdu s LEU 87 CO 0.00 -0.08 -0.13 0.20 -1.32 0.00 0.00 176.35 175.02 2jdu s ASN 88 N 1.59 4.14 -0.08 3.68 -0.87 0.01 -0.66 114.94 122.76 2jdu s ASN 88 Ca 0.10 -0.20 0.02 0.00 -1.57 0.00 0.00 52.86 51.22 2jdu s ASN 88 Cb -0.16 -1.12 0.01 0.00 -0.02 0.00 0.00 41.25 39.97 2jdu s ASN 88 CO 0.10 0.30 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.41 2jdu s PHE 89 N -0.44 1.79 -0.18 2.20 0.40 -0.16 -1.93 117.98 119.66 2jdu s PHE 89 Ca 0.05 -0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 55.62 2jdu s PHE 89 Cb -0.12 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 2jdu s PHE 89 CO 0.02 -0.36 -0.05 0.00 0.70 0.00 0.00 175.22 175.53 2jdu s ALA 90 N 0.71 2.88 -0.07 5.36 0.00 0.16 -0.54 121.76 130.26 2jdu s ALA 90 Ca -0.13 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2jdu s ALA 90 Cb -0.16 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 2jdu s ALA 90 CO 0.03 -0.07 -0.20 -0.51 0.00 0.00 0.00 175.76 175.01 2jdu s LEU 91 N 0.86 2.35 -0.02 0.00 1.43 0.25 -0.50 118.68 123.06 2jdu s LEU 91 Ca -0.01 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2jdu s LEU 91 Cb -0.15 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.62 2jdu s LEU 91 CO 0.01 0.25 -0.04 -0.69 0.23 0.00 0.00 176.35 176.11 2jdu s VAL 92 N -0.20 0.42 0.24 -1.59 1.01 0.02 -2.01 120.40 118.29 2jdu s VAL 92 Ca -0.01 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 61.93 2jdu s VAL 92 Cb -0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2jdu s VAL 92 CO 0.03 0.16 -0.21 -0.83 0.00 0.00 0.00 175.10 174.25 2jdu s GLY 93 N 0.37 1.77 0.01 4.51 0.00 0.43 -0.67 107.32 113.73 2jdu s GLY 93 Ca -0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 2jdu s GLY 93 CO -0.00 -1.82 0.05 -1.35 0.00 0.00 0.00 173.10 169.98 2jdu s SER 94 N -3.14 0.13 -0.09 1.64 1.04 -0.57 -1.26 113.70 111.45 2jdu s SER 94 Ca 0.25 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2jdu s SER 94 Cb -0.06 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.22 2jdu s SER 94 CO 0.12 -0.32 -0.17 -0.70 0.98 0.00 0.00 173.24 173.14 2jdu s GLU 95 N -1.37 2.34 0.00 4.02 2.56 -0.51 -1.89 118.70 123.84 2jdu s GLU 95 Ca -0.15 -0.63 0.16 0.00 0.00 0.00 0.00 54.97 54.36 2jdu s GLU 95 Cb -0.09 -1.86 -0.17 0.00 2.00 0.00 0.00 34.13 34.01 2jdu s GLU 95 CO 0.00 0.06 0.70 -0.40 -0.56 0.00 0.00 175.26 175.06 2jdu n ASP 96 N 3.81 0.81 0.00 -1.70 5.68 -1.26 -2.94 116.55 120.95 2jdu n ASP 96 Ca -0.21 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 2jdu n ASP 96 Cb 0.52 0.97 0.00 0.00 -1.14 0.00 0.00 41.12 41.47 2jdu n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdu n GLY 97 N 1.37 4.92 0.02 6.12 0.00 -1.26 -5.05 105.19 111.31 2jdu n GLY 97 Ca 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 2jdu n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdu n THR 98 N 0.00 0.25 0.26 2.61 -2.24 -1.26 -4.83 114.28 109.08 2jdu n THR 98 Ca 0.00 -0.14 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2jdu n THR 98 Cb 0.00 -0.83 0.76 0.00 -2.10 0.00 0.00 70.33 68.16 2jdu n THR 98 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jdu h ASP 99 N 0.00 0.00 -4.86 3.42 2.03 -2.02 -3.47 116.42 111.52 2jdu h ASP 99 Ca -0.10 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.92 2jdu h ASP 99 Cb 1.20 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 39.83 2jdu h ASP 99 CO -0.00 0.00 -0.59 0.59 -1.03 0.00 0.00 179.24 178.21 2jdu n ASN 100 N -2.56 -3.08 -0.00 4.15 3.02 -1.26 -4.93 115.26 110.60 2jdu n ASN 100 Ca -0.01 -0.47 0.08 0.00 -0.03 0.00 0.00 54.58 54.15 2jdu n ASN 100 Cb 0.10 -4.13 -0.11 0.00 -0.61 0.00 0.00 39.78 35.04 2jdu n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jdu n ASP 101 N -2.49 0.83 -3.20 6.41 8.00 -1.26 -5.01 116.55 119.83 2jdu n ASP 101 Ca -0.16 -0.79 -0.23 0.00 0.71 0.00 0.00 54.79 54.32 2jdu n ASP 101 Cb 0.61 1.11 0.03 0.00 -0.02 0.00 0.00 41.12 42.85 2jdu n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2jdu n TYR 102 N -1.51 -2.09 -0.02 1.24 4.01 -1.26 -4.87 117.16 112.66 2jdu n TYR 102 Ca 0.02 0.60 0.02 0.00 -0.16 0.00 0.00 57.90 58.39 2jdu n TYR 102 Cb 0.30 -4.29 0.05 0.00 -0.31 0.00 0.00 39.34 35.09 2jdu n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jdu n ASN 103 N -2.57 2.18 -0.20 7.72 6.94 -1.13 -1.51 115.26 126.69 2jdu n ASN 103 Ca -0.07 -1.83 -0.06 0.00 -0.02 0.00 0.00 54.58 52.59 2jdu n ASN 103 Cb 0.59 -0.08 0.04 0.00 -2.36 0.00 0.00 39.78 37.97 2jdu n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jdu h ASP 104 N 0.86 0.66 -3.91 0.53 3.32 -1.51 -3.28 116.42 113.09 2jdu h ASP 104 Ca 0.00 -0.02 -0.41 0.00 0.02 0.00 0.00 57.03 56.62 2jdu h ASP 104 Cb 0.51 -0.16 -0.30 0.00 0.22 0.00 0.00 39.33 39.60 2jdu h ASP 104 CO 0.00 0.48 -0.78 0.00 -1.72 0.00 0.00 179.24 177.22 2jdu s ALA 105 N -6.15 0.82 -0.05 3.45 0.00 -1.25 -1.06 121.76 117.52 2jdu s ALA 105 Ca -0.13 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2jdu s ALA 105 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2jdu s ALA 105 CO 0.75 0.16 -0.19 0.08 0.00 0.00 0.00 175.76 176.56 2jdu s VAL 106 N 0.03 1.58 -0.04 0.00 1.01 -0.25 -1.54 120.40 121.19 2jdu s VAL 106 Ca -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2jdu s VAL 106 Cb -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2jdu s VAL 106 CO 0.00 0.45 -0.13 -0.69 0.00 0.00 0.00 175.10 174.73 2jdu s VAL 107 N 0.06 1.08 -0.10 2.92 1.01 0.15 -0.20 120.40 125.33 2jdu s VAL 107 Ca -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2jdu s VAL 107 Cb -0.13 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2jdu s VAL 107 CO 0.03 0.32 -0.20 -0.69 0.00 0.00 0.00 175.10 174.57 2jdu s VAL 108 N 0.15 1.74 -0.13 2.92 1.01 0.02 -0.80 120.40 125.32 2jdu s VAL 108 Ca -0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2jdu s VAL 108 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2jdu s VAL 108 CO 0.01 0.49 -0.08 -0.63 0.00 0.00 0.00 175.10 174.90 2jdu s ILE 109 N 0.55 3.57 0.02 2.22 1.01 0.35 -1.02 121.20 127.90 2jdu s ILE 109 Ca -0.15 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.05 2jdu s ILE 109 Cb -0.17 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2jdu s ILE 109 CO 0.05 0.53 -0.12 0.54 0.00 0.00 0.00 174.94 175.94 2jdu s ASN 110 N 0.09 1.43 0.17 3.58 4.22 -0.43 -0.67 114.94 123.32 2jdu s ASN 110 Ca -0.03 -0.36 -0.18 0.00 -2.14 0.00 0.00 52.86 50.15 2jdu s ASN 110 Cb -0.14 -0.11 0.04 0.00 1.28 0.00 0.00 41.25 42.32 2jdu s ASN 110 CO 0.03 0.05 0.51 -1.66 -2.04 0.00 0.00 177.10 173.99 2jdu s TRP 111 N -0.66 -0.23 0.73 1.54 -2.14 -0.81 -0.83 118.94 116.54 2jdu s TRP 111 Ca 0.02 -0.08 -0.09 0.00 2.66 0.00 0.00 56.10 58.61 2jdu s TRP 111 Cb -0.07 0.39 0.06 0.00 -3.10 0.00 0.00 33.47 30.75 2jdu s TRP 111 CO 0.01 -0.84 1.07 -1.25 -2.66 0.00 0.00 176.95 173.27 2jdu s PRO 112 N -3.83 2.28 0.53 3.25 0.04 -1.26 -0.81 135.00 135.20 2jdu s PRO 112 Ca 0.06 -0.00 0.05 0.00 0.04 0.00 0.00 61.00 61.14 2jdu s PRO 112 Cb -0.00 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2jdu s PRO 112 CO -0.07 -1.28 0.34 -0.51 0.04 0.00 0.00 177.00 175.51 2jdu s LEU 113 N -5.35 2.69 0.00 -3.56 1.43 -1.26 -5.00 118.68 107.63 2jdu s LEU 113 Ca 0.60 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2jdu s LEU 113 Cb -0.11 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.94 2jdu s LEU 113 CO 0.47 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.63