#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdy s THR 2 N 0.00 2.16 0.12 0.00 2.01 -1.26 -5.03 115.64 113.65 2jdy s THR 2 Ca 0.00 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.19 2jdy s THR 2 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2jdy s THR 2 CO 0.00 0.02 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.73 2jdy s GLN 3 N -0.57 0.99 -0.00 4.92 -1.52 -1.26 -4.82 119.66 117.39 2jdy s GLN 3 Ca 0.62 -1.27 0.00 0.00 -1.95 0.00 0.00 55.36 52.76 2jdy s GLN 3 Cb -0.47 -0.74 0.00 0.00 -0.22 0.00 0.00 33.01 31.58 2jdy s GLN 3 CO 0.48 0.13 0.00 0.41 -0.25 0.00 0.00 175.29 176.06 2jdy n GLY 4 N 0.37 0.48 3.38 3.09 0.00 -1.26 -4.91 105.19 106.35 2jdy n GLY 4 Ca -0.14 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2jdy n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdy s VAL 5 N -1.97 3.17 -0.01 1.61 1.01 -1.26 -0.40 120.40 122.54 2jdy s VAL 5 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2jdy s VAL 5 Cb 0.00 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 2jdy s VAL 5 CO 0.00 0.52 -0.05 -0.36 0.00 0.00 0.00 175.10 175.20 2jdy s PHE 6 N 0.40 0.52 -0.48 5.22 0.08 0.45 -5.00 117.98 119.18 2jdy s PHE 6 Ca -0.09 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 56.68 2jdy s PHE 6 Cb -0.16 -0.36 0.06 0.00 -0.57 0.00 0.00 43.02 41.99 2jdy s PHE 6 CO 0.05 -0.03 0.51 0.99 -0.10 0.00 0.00 175.22 176.63 2jdy s THR 7 N 0.01 5.05 0.52 0.64 2.01 -1.26 -0.65 115.64 121.95 2jdy s THR 7 Ca 0.00 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 2jdy s THR 7 Cb -0.04 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 2jdy s THR 7 CO -0.00 -0.66 0.80 -0.76 -0.69 0.00 0.00 174.62 173.31 2jdy s LEU 8 N 2.17 3.48 0.40 4.42 1.02 0.64 -5.00 118.68 125.81 2jdy s LEU 8 Ca 0.10 0.67 -0.26 0.00 0.02 0.00 0.00 54.13 54.66 2jdy s LEU 8 Cb -0.21 -3.55 -0.10 0.00 0.02 0.00 0.00 46.19 42.35 2jdy s LEU 8 CO 0.10 -0.80 1.31 -0.81 0.02 0.00 0.00 176.35 176.17 2jdy n PRO 9 N -2.34 2.09 -2.07 1.29 -0.04 -1.26 -4.36 135.00 128.31 2jdy n PRO 9 Ca 0.02 0.74 -0.35 0.00 -0.04 0.00 0.00 63.50 63.87 2jdy n PRO 9 Cb 0.57 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.63 2jdy n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jdy s ALA 10 N -1.16 2.58 -1.47 0.55 0.00 -1.26 -3.84 121.76 117.16 2jdy s ALA 10 Ca 0.59 0.92 -0.08 0.00 0.00 0.00 0.00 51.96 53.38 2jdy s ALA 10 Cb -0.51 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.25 2jdy s ALA 10 CO 0.60 -1.05 0.81 0.09 0.00 0.00 0.00 175.76 176.21 2jdy n ASN 11 N -1.55 -3.03 -4.11 0.00 3.02 0.21 -4.89 115.26 104.90 2jdy n ASN 11 Ca 0.13 -0.84 -0.26 0.00 -0.03 0.00 0.00 54.58 53.57 2jdy n ASN 11 Cb 0.50 -3.73 -0.16 0.00 -0.61 0.00 0.00 39.78 35.78 2jdy n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdy s THR 12 N -3.49 1.41 0.25 3.41 2.01 -1.25 -4.86 115.64 113.12 2jdy s THR 12 Ca 0.39 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2jdy s THR 12 Cb -0.20 -1.23 -0.09 0.00 0.01 0.00 0.00 72.50 70.99 2jdy s THR 12 CO 0.84 0.41 1.24 -0.13 -0.69 0.00 0.00 174.62 176.29 2jdy s ARG 13 N 0.22 4.45 0.04 4.92 0.52 -1.26 -1.08 118.95 126.76 2jdy s ARG 13 Ca -0.08 2.01 -0.01 0.00 -0.52 0.00 0.00 55.73 57.13 2jdy s ARG 13 Cb -0.13 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2jdy s ARG 13 CO 0.03 -0.10 -0.02 -0.59 0.02 0.00 0.00 175.30 174.64 2jdy s PHE 14 N -0.52 0.40 0.06 -0.53 -0.71 -0.10 -4.18 117.98 112.40 2jdy s PHE 14 Ca 0.51 -0.84 -0.09 0.00 -1.04 0.00 0.00 56.93 55.47 2jdy s PHE 14 Cb -0.36 -0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 41.10 2jdy s PHE 14 CO 0.42 -0.32 0.37 0.20 -1.34 0.00 0.00 175.22 174.56 2jdy s GLY 15 N -2.39 2.33 -0.04 1.99 0.00 0.03 -1.02 107.32 108.22 2jdy s GLY 15 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.30 2jdy s GLY 15 CO -0.07 -0.20 -0.05 0.54 0.00 0.00 0.00 173.10 173.32 2jdy s VAL 16 N -1.37 0.58 -0.01 1.40 0.11 -0.01 -1.16 120.40 119.93 2jdy s VAL 16 Ca 0.32 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2jdy s VAL 16 Cb -0.14 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 2jdy s VAL 16 CO 0.18 0.23 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.27 2jdy s THR 17 N 0.82 0.20 0.02 5.04 2.01 -0.45 -1.23 115.64 122.06 2jdy s THR 17 Ca -0.12 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 61.93 2jdy s THR 17 Cb -0.14 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2jdy s THR 17 CO 0.01 0.10 -0.25 0.00 -0.69 0.00 0.00 174.62 173.78 2jdy s ALA 18 N 0.37 2.08 0.05 7.40 0.00 -0.18 -0.71 121.76 130.78 2jdy s ALA 18 Ca -0.04 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2jdy s ALA 18 Cb -0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2jdy s ALA 18 CO -0.01 0.50 -0.20 -0.06 0.00 0.00 0.00 175.76 175.99 2jdy s PHE 19 N -0.72 1.75 -0.07 0.00 0.40 0.75 -1.36 117.98 118.74 2jdy s PHE 19 Ca 0.10 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2jdy s PHE 19 Cb -0.10 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 2jdy s PHE 19 CO 0.01 0.09 -0.18 0.00 0.70 0.00 0.00 175.22 175.84 2jdy s ALA 20 N -0.83 2.46 -0.41 5.36 0.00 -0.60 -0.68 121.76 127.05 2jdy s ALA 20 Ca 0.07 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.12 2jdy s ALA 20 Cb -0.09 -0.91 0.26 0.00 0.00 0.00 0.00 23.12 22.38 2jdy s ALA 20 CO 0.02 0.44 0.64 0.09 0.00 0.00 0.00 175.76 176.94 2jdy n ASN 21 N 2.82 -0.53 -3.49 0.00 3.02 -0.48 -1.46 115.26 115.15 2jdy n ASN 21 Ca -0.17 -2.88 -0.14 0.00 -0.03 0.00 0.00 54.58 51.35 2jdy n ASN 21 Cb 0.52 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 2jdy n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jdy s SER 22 N -1.41 -0.55 0.46 6.41 0.15 0.30 -4.01 113.70 115.05 2jdy s SER 22 Ca 0.34 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.48 2jdy s SER 22 Cb 0.20 0.56 0.78 0.00 -1.71 0.00 0.00 66.02 65.85 2jdy s SER 22 CO -0.14 -0.81 1.77 0.77 1.20 0.00 0.00 173.24 176.02 2jdy h SER 23 N 2.45 0.00 -3.65 5.45 4.64 -1.96 -3.30 113.55 117.18 2jdy h SER 23 Ca -0.31 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.50 2jdy h SER 23 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 2jdy h SER 23 CO 0.39 0.09 0.20 0.20 -0.87 0.00 0.00 176.83 176.84 2jdy s ASN 24 N -6.05 7.23 0.12 4.97 0.01 -1.26 -4.95 114.94 115.01 2jdy s ASN 24 Ca 0.03 1.60 -0.31 0.00 -0.71 0.00 0.00 52.86 53.48 2jdy s ASN 24 Cb 0.08 -2.49 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 2jdy s ASN 24 CO 0.63 0.05 1.64 -0.89 -1.51 0.00 0.00 177.10 177.02 2jdy s THR 25 N -1.45 2.78 0.09 1.60 2.01 -1.26 -4.71 115.64 114.70 2jdy s THR 25 Ca 0.43 0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.73 2jdy s THR 25 Cb -0.19 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 2jdy s THR 25 CO 0.23 0.01 0.43 -1.10 -0.69 0.00 0.00 174.62 173.50 2jdy s GLN 26 N 2.01 3.81 -0.17 4.92 -1.52 0.02 -4.41 119.66 124.31 2jdy s GLN 26 Ca 0.73 0.25 0.01 0.00 -1.95 0.00 0.00 55.36 54.39 2jdy s GLN 26 Cb -0.42 -3.00 0.03 0.00 -0.22 0.00 0.00 33.01 29.40 2jdy s GLN 26 CO 0.32 0.55 -0.13 0.99 -0.25 0.00 0.00 175.29 176.77 2jdy s THR 27 N -1.39 1.66 -0.22 -0.19 2.01 0.02 -2.66 115.64 114.88 2jdy s THR 27 Ca 0.33 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 2jdy s THR 27 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 2jdy s THR 27 CO 0.18 0.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 2jdy s VAL 28 N 1.43 3.67 -0.14 3.82 1.01 0.43 -0.90 120.40 129.72 2jdy s VAL 28 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2jdy s VAL 28 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2jdy s VAL 28 CO -0.10 0.41 -0.02 0.20 0.00 0.00 0.00 175.10 175.59 2jdy s ASN 29 N 1.36 4.96 -0.24 3.32 0.01 0.65 -0.74 114.94 124.26 2jdy s ASN 29 Ca 0.04 -0.04 -0.03 0.00 -0.71 0.00 0.00 52.86 52.11 2jdy s ASN 29 Cb -0.14 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 39.83 2jdy s ASN 29 CO -0.01 0.23 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.09 2jdy s VAL 30 N 0.03 3.28 -0.15 1.60 1.01 0.06 -0.84 120.40 125.40 2jdy s VAL 30 Ca 0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2jdy s VAL 30 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2jdy s VAL 30 CO 0.02 0.30 0.07 -0.76 0.00 0.00 0.00 175.10 174.74 2jdy s LEU 31 N 1.43 3.90 -0.14 3.92 1.02 0.94 0.29 118.68 130.04 2jdy s LEU 31 Ca 0.04 0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.38 2jdy s LEU 31 Cb -0.15 -1.96 0.02 0.00 0.02 0.00 0.00 46.19 44.11 2jdy s LEU 31 CO -0.03 0.27 -0.18 -0.69 0.02 0.00 0.00 176.35 175.74 2jdy s VAL 32 N -0.21 1.78 -1.31 -1.59 1.01 0.35 -1.37 120.40 119.06 2jdy s VAL 32 Ca 0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2jdy s VAL 32 Cb -0.12 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 2jdy s VAL 32 CO 0.01 0.49 0.64 -3.20 0.00 0.00 0.00 175.10 173.05 2jdy n ASN 33 N 4.41 -1.29 -1.33 3.32 2.85 -1.07 -2.21 115.26 119.95 2jdy n ASN 33 Ca -0.19 -0.87 -0.17 0.00 -0.11 0.00 0.00 54.58 53.23 2jdy n ASN 33 Cb 0.51 -3.82 -0.07 0.00 1.24 0.00 0.00 39.78 37.64 2jdy n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2jdy n ASN 34 N -3.02 -5.55 -4.19 1.20 3.02 -1.26 -4.98 115.26 100.47 2jdy n ASN 34 Ca -0.29 0.43 -0.26 0.00 -0.03 0.00 0.00 54.58 54.43 2jdy n ASN 34 Cb 0.67 -4.57 -0.15 0.00 -0.61 0.00 0.00 39.78 35.12 2jdy n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jdy s GLU 35 N -3.46 1.54 0.05 3.52 0.41 -0.94 -5.08 118.70 114.75 2jdy s GLU 35 Ca 0.00 -0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 53.56 2jdy s GLU 35 Cb 0.00 -1.49 -0.08 0.00 -1.78 0.00 0.00 34.13 30.78 2jdy s GLU 35 CO 0.00 0.41 1.69 0.99 -0.49 0.00 0.00 175.26 177.86 2jdy s THR 36 N -0.46 3.06 -0.07 3.63 2.01 -1.26 -0.49 115.64 122.06 2jdy s THR 36 Ca 0.07 0.44 0.09 0.00 0.31 0.00 0.00 61.69 62.60 2jdy s THR 36 Cb -0.07 -3.28 -0.13 0.00 0.01 0.00 0.00 72.50 69.03 2jdy s THR 36 CO -0.01 -0.01 0.08 0.00 -0.69 0.00 0.00 174.62 174.00 2jdy n ALA 37 N 5.96 1.93 -3.26 7.40 0.00 0.15 -4.87 120.51 127.83 2jdy n ALA 37 Ca 0.17 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 2jdy n ALA 37 Cb 0.41 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 2jdy n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdy s ALA 38 N -2.35 -0.87 -0.03 0.00 0.00 -0.98 -5.01 121.76 112.52 2jdy s ALA 38 Ca -0.04 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2jdy s ALA 38 Cb 0.04 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.27 2jdy s ALA 38 CO 0.39 -0.28 0.04 0.99 0.00 0.00 0.00 175.76 176.91 2jdy s THR 39 N -1.36 -0.04 0.17 0.00 2.01 -1.26 -0.76 115.64 114.40 2jdy s THR 39 Ca -0.13 0.32 0.10 0.00 0.31 0.00 0.00 61.69 62.29 2jdy s THR 39 Cb -0.05 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2jdy s THR 39 CO 0.05 0.15 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.58 2jdy s PHE 40 N 1.71 2.44 -0.02 4.92 0.08 0.08 -4.97 117.98 122.21 2jdy s PHE 40 Ca -0.01 -0.30 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 2jdy s PHE 40 Cb -0.12 -1.23 0.05 0.00 -0.57 0.00 0.00 43.02 41.15 2jdy s PHE 40 CO -0.03 0.47 0.52 0.45 -0.10 0.00 0.00 175.22 176.53 2jdy s SER 41 N -2.57 -0.45 0.00 1.36 0.15 -1.26 -0.43 113.70 110.50 2jdy s SER 41 Ca 0.21 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2jdy s SER 41 Cb -0.09 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2jdy s SER 41 CO 0.11 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2jdy n GLY 42 N 0.97 -0.13 2.72 9.45 0.00 -1.09 -4.83 105.19 112.28 2jdy n GLY 42 Ca -0.20 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 2jdy n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdy s GLN 43 N -2.00 0.04 -0.08 1.61 -0.44 -1.26 -0.80 119.66 116.73 2jdy s GLN 43 Ca 0.00 0.29 -0.22 0.00 -2.50 0.00 0.00 55.36 52.93 2jdy s GLN 43 Cb 0.00 -0.90 0.05 0.00 -1.64 0.00 0.00 33.01 30.52 2jdy s GLN 43 CO 0.00 -0.47 0.52 0.45 0.50 0.00 0.00 175.29 176.29 2jdy s SER 44 N 2.23 -0.47 -0.08 6.67 0.15 -1.24 -5.01 113.70 115.95 2jdy s SER 44 Ca 0.04 0.59 0.18 0.00 0.70 0.00 0.00 55.95 57.46 2jdy s SER 44 Cb -0.14 0.60 0.62 0.00 -1.71 0.00 0.00 66.02 65.40 2jdy s SER 44 CO -0.07 -0.45 1.54 0.35 1.20 0.00 0.00 173.24 175.81 2jdy n THR 45 N 1.51 1.59 -2.17 6.45 -2.24 -1.25 -0.54 114.28 117.63 2jdy n THR 45 Ca -0.19 -1.20 -0.02 0.00 -2.27 0.00 0.00 64.05 60.38 2jdy n THR 45 Cb 0.56 0.22 0.09 0.00 -2.10 0.00 0.00 70.33 69.10 2jdy n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jdy n ASN 46 N 0.97 2.18 -1.66 3.42 5.15 -1.26 -4.80 115.26 119.27 2jdy n ASN 46 Ca 0.23 -2.99 -0.13 0.00 -0.60 0.00 0.00 54.58 51.08 2jdy n ASN 46 Cb 0.77 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 2jdy n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2jdy n ASN 47 N -0.49 -4.18 -4.69 1.20 5.15 -0.53 -4.97 115.26 106.74 2jdy n ASN 47 Ca 0.19 -0.07 -0.44 0.00 -0.60 0.00 0.00 54.58 53.65 2jdy n ASN 47 Cb 0.90 -3.26 -0.02 0.00 -0.53 0.00 0.00 39.78 36.87 2jdy n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdy n ALA 48 N -2.10 1.49 -2.64 5.20 0.00 -1.21 -4.58 120.51 116.67 2jdy n ALA 48 Ca -0.12 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 2jdy n ALA 48 Cb 0.60 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 2jdy n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jdy s VAL 49 N -0.15 4.12 -0.40 0.00 1.01 -1.26 -1.56 120.40 122.16 2jdy s VAL 49 Ca 0.66 -1.04 0.26 0.00 0.00 0.00 0.00 61.98 61.86 2jdy s VAL 49 Cb -0.60 -5.01 0.29 0.00 0.00 0.00 0.00 36.38 31.06 2jdy s VAL 49 CO 0.51 -1.85 1.77 0.16 0.00 0.00 0.00 175.10 175.69 2jdy h ILE 50 N 6.48 0.00 -1.34 2.22 3.07 -1.55 -3.45 117.51 122.94 2jdy h ILE 50 Ca 0.21 -0.37 0.19 0.00 1.55 0.00 0.00 64.86 66.44 2jdy h ILE 50 Cb 1.00 1.21 -0.24 0.00 -0.27 0.00 0.00 36.82 38.52 2jdy h ILE 50 CO 1.36 0.00 0.77 -0.83 -1.05 0.00 0.00 178.15 178.40 2jdy s GLY 51 N -3.71 -0.12 -0.15 0.16 0.00 -1.23 -4.26 107.32 97.99 2jdy s GLY 51 Ca 0.05 2.27 -0.17 0.00 0.00 0.00 0.00 44.72 46.86 2jdy s GLY 51 CO 0.47 0.95 0.47 -1.08 0.00 0.00 0.00 173.10 173.91 2jdy s THR 52 N -1.37 0.01 -0.06 0.90 -1.32 -1.26 -1.01 115.64 111.52 2jdy s THR 52 Ca 0.05 -0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2jdy s THR 52 Cb -0.01 -0.68 0.07 0.00 -1.51 0.00 0.00 72.50 70.37 2jdy s THR 52 CO -0.04 -0.03 0.66 -1.58 -2.21 0.00 0.00 174.62 171.42 2jdy s GLN 53 N -0.00 1.02 -0.19 7.08 0.74 -0.36 -5.00 119.66 122.94 2jdy s GLN 53 Ca -0.02 0.28 -0.11 0.00 0.05 0.00 0.00 55.36 55.56 2jdy s GLN 53 Cb -0.03 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.51 2jdy s GLN 53 CO 0.02 -0.30 0.18 0.08 -0.55 0.00 0.00 175.29 174.71 2jdy s VAL 54 N -1.08 5.38 0.24 1.34 1.01 -1.26 -0.83 120.40 125.19 2jdy s VAL 54 Ca -0.10 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2jdy s VAL 54 Cb -0.01 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2jdy s VAL 54 CO 0.09 0.41 -0.02 -0.76 0.00 0.00 0.00 175.10 174.82 2jdy s LEU 55 N 0.47 2.29 -0.11 3.92 1.43 -0.18 -4.96 118.68 121.53 2jdy s LEU 55 Ca 0.10 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2jdy s LEU 55 Cb -0.12 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 2jdy s LEU 55 CO 0.00 -0.46 0.01 0.21 0.23 0.00 0.00 176.35 176.35 2jdy s ASN 56 N -3.34 5.31 0.18 2.29 3.84 -1.26 -0.93 114.94 121.03 2jdy s ASN 56 Ca 0.28 0.12 0.22 0.00 0.21 0.00 0.00 52.86 53.68 2jdy s ASN 56 Cb 0.05 -1.63 0.88 0.00 -0.55 0.00 0.00 41.25 40.00 2jdy s ASN 56 CO 0.09 0.32 1.66 -1.54 -2.79 0.00 0.00 177.10 174.84 2jdy n SER 57 N 2.54 0.48 -0.17 -4.21 3.41 -0.24 -4.90 113.62 110.54 2jdy n SER 57 Ca -0.18 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2jdy n SER 57 Cb 0.53 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2jdy n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdy n GLY 58 N 0.17 -1.59 0.23 5.00 0.00 -1.26 -2.80 105.19 104.95 2jdy n GLY 58 Ca 0.03 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 2jdy n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdy h SER 59 N 0.00 0.76 1.01 1.61 4.64 -1.95 0.59 113.55 120.22 2jdy h SER 59 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2jdy h SER 59 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2jdy h SER 59 CO 0.00 1.14 -0.94 0.77 -0.87 0.00 0.00 176.83 176.93 2jdy h SER 60 N 0.53 0.00 0.00 4.97 4.64 -1.96 -3.44 113.55 118.29 2jdy h SER 60 Ca 0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jdy h SER 60 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2jdy h SER 60 CO 0.11 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 2jdy n GLY 61 N 1.19 0.51 3.65 -0.77 0.00 -1.12 -4.76 105.19 103.89 2jdy n GLY 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2jdy n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdy s LYS 62 N -0.50 4.10 -0.11 1.61 2.20 -1.26 -0.26 119.74 125.53 2jdy s LYS 62 Ca 0.00 1.35 0.04 0.00 -0.36 0.00 0.00 55.97 57.00 2jdy s LYS 62 Cb 0.00 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2jdy s LYS 62 CO 0.00 -0.86 -0.24 0.08 -0.36 0.00 0.00 175.35 173.97 2jdy s VAL 63 N 3.74 2.05 -0.06 4.02 1.01 0.17 -2.58 120.40 128.76 2jdy s VAL 63 Ca 0.51 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2jdy s VAL 63 Cb -0.17 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2jdy s VAL 63 CO 0.16 0.56 -0.16 -1.58 0.00 0.00 0.00 175.10 174.07 2jdy s GLN 64 N 0.42 1.88 -0.18 2.72 0.74 -0.47 -0.41 119.66 124.36 2jdy s GLN 64 Ca -0.17 -0.58 -0.06 0.00 0.05 0.00 0.00 55.36 54.60 2jdy s GLN 64 Cb -0.18 -1.58 -0.04 0.00 1.10 0.00 0.00 33.01 32.32 2jdy s GLN 64 CO 0.07 0.17 0.04 0.08 -0.55 0.00 0.00 175.29 175.10 2jdy s VAL 65 N 0.25 4.48 -0.02 1.34 1.01 0.46 -0.04 120.40 127.88 2jdy s VAL 65 Ca -0.08 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2jdy s VAL 65 Cb -0.13 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2jdy s VAL 65 CO 0.03 0.45 -0.19 -1.10 0.00 0.00 0.00 175.10 174.30 2jdy s GLN 66 N 0.54 1.56 -0.05 2.72 -0.21 -0.02 -4.71 119.66 119.49 2jdy s GLN 66 Ca 0.01 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 54.77 2jdy s GLN 66 Cb -0.13 -1.48 -0.00 0.00 1.00 0.00 0.00 33.01 32.39 2jdy s GLN 66 CO 0.02 0.39 -0.18 0.08 -2.12 0.00 0.00 175.29 173.48 2jdy s VAL 67 N -0.39 1.48 0.06 1.09 1.01 -1.26 -0.26 120.40 122.13 2jdy s VAL 67 Ca 0.06 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2jdy s VAL 67 Cb -0.08 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2jdy s VAL 67 CO -0.00 0.43 0.08 -0.94 0.00 0.00 0.00 175.10 174.66 2jdy s SER 68 N 0.09 0.28 -0.27 3.32 1.04 -0.07 -0.44 113.70 117.64 2jdy s SER 68 Ca -0.05 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2jdy s SER 68 Cb -0.12 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.33 2jdy s SER 68 CO 0.03 -0.63 -0.06 -0.69 0.98 0.00 0.00 173.24 172.86 2jdy s VAL 69 N -3.63 2.01 -1.26 5.02 1.01 -0.27 -0.80 120.40 122.48 2jdy s VAL 69 Ca 0.04 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 2jdy s VAL 69 Cb 0.05 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2jdy s VAL 69 CO -0.09 -0.17 0.60 0.59 0.00 0.00 0.00 175.10 176.03 2jdy n ASN 70 N 4.46 -3.43 0.00 3.32 3.02 -1.26 -1.85 115.26 119.52 2jdy n ASN 70 Ca -0.10 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2jdy n ASN 70 Cb 0.42 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 2jdy n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jdy n GLY 71 N -2.02 3.05 3.60 7.41 0.00 -1.26 -5.00 105.19 110.97 2jdy n GLY 71 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2jdy n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jdy s ARG 72 N -0.21 3.85 0.28 1.61 3.52 -0.77 -5.02 118.95 122.20 2jdy s ARG 72 Ca 0.00 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.86 2jdy s ARG 72 Cb 0.00 -3.80 -0.10 0.00 -1.56 0.00 0.00 34.95 29.49 2jdy s ARG 72 CO 0.00 -0.91 1.46 -1.25 -0.81 0.00 0.00 175.30 173.79 2jdy s PRO 73 N 3.38 4.23 0.47 5.12 0.04 -1.26 -1.12 135.00 145.87 2jdy s PRO 73 Ca 0.37 2.37 -0.09 0.00 0.04 0.00 0.00 61.00 63.69 2jdy s PRO 73 Cb -0.12 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2jdy s PRO 73 CO 0.18 -0.44 0.83 -1.12 0.04 0.00 0.00 177.00 176.49 2jdy s SER 74 N 0.23 6.39 0.07 6.66 0.01 0.42 -4.91 113.70 122.57 2jdy s SER 74 Ca 0.58 1.14 -0.30 0.00 1.31 0.00 0.00 55.95 58.68 2jdy s SER 74 Cb -0.43 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 2jdy s SER 74 CO 0.47 -0.55 0.98 -0.62 0.41 0.00 0.00 173.24 173.93 2jdy s ASP 75 N -3.65 7.43 0.07 2.44 2.15 -0.75 -4.79 116.67 119.58 2jdy s ASP 75 Ca 0.51 1.77 0.03 0.00 0.43 0.00 0.00 52.55 55.29 2jdy s ASP 75 Cb -0.10 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2jdy s ASP 75 CO 0.40 -0.15 0.04 -0.76 -0.17 0.00 0.00 175.17 174.52 2jdy s LEU 76 N 0.36 3.63 0.02 -1.34 1.43 -1.26 -0.94 118.68 120.58 2jdy s LEU 76 Ca 0.49 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2jdy s LEU 76 Cb -0.23 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2jdy s LEU 76 CO 0.29 0.19 -0.12 0.68 0.23 0.00 0.00 176.35 177.63 2jdy s VAL 77 N -1.31 0.93 0.15 -1.59 -7.23 -0.12 -4.86 120.40 106.38 2jdy s VAL 77 Ca 0.26 -0.77 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 2jdy s VAL 77 Cb -0.12 -0.83 0.04 0.00 0.56 0.00 0.00 36.38 36.03 2jdy s VAL 77 CO 0.19 0.07 0.46 -0.94 -0.31 0.00 0.00 175.10 174.57 2jdy s SER 78 N -0.79 -0.29 0.04 4.85 1.04 -1.26 -0.47 113.70 116.83 2jdy s SER 78 Ca 0.02 -0.33 -0.27 0.00 0.48 0.00 0.00 55.95 55.85 2jdy s SER 78 Cb -0.06 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.66 2jdy s SER 78 CO 0.00 -0.93 0.75 0.00 0.98 0.00 0.00 173.24 174.05 2jdy s ALA 79 N -3.82 -1.73 -0.05 5.32 0.00 -0.79 -4.92 121.76 115.77 2jdy s ALA 79 Ca 0.05 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.92 2jdy s ALA 79 Cb 0.01 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2jdy s ALA 79 CO -0.09 -0.65 -0.14 -1.14 0.00 0.00 0.00 175.76 173.74 2jdy s GLN 80 N -2.99 2.51 -0.03 0.00 0.74 -1.26 -0.52 119.66 118.11 2jdy s GLN 80 Ca 0.01 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.76 2jdy s GLN 80 Cb -0.01 -2.39 -0.00 0.00 1.10 0.00 0.00 33.01 31.71 2jdy s GLN 80 CO -0.08 0.62 -0.13 0.08 -0.55 0.00 0.00 175.29 175.24 2jdy s VAL 81 N -0.76 1.08 -0.15 1.34 1.01 0.11 -4.99 120.40 118.05 2jdy s VAL 81 Ca 0.12 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2jdy s VAL 81 Cb -0.11 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2jdy s VAL 81 CO 0.01 0.32 -0.20 -0.63 0.00 0.00 0.00 175.10 174.60 2jdy s ILE 82 N 0.01 1.97 -0.09 2.22 1.01 -1.26 -0.95 121.20 124.11 2jdy s ILE 82 Ca -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 2jdy s ILE 82 Cb -0.09 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2jdy s ILE 82 CO 0.01 0.53 0.10 -0.76 0.00 0.00 0.00 174.94 174.82 2jdy s LEU 83 N 1.03 4.11 -1.23 2.97 1.43 0.13 -4.53 118.68 122.59 2jdy s LEU 83 Ca -0.02 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 2jdy s LEU 83 Cb -0.14 -2.08 0.15 0.00 0.03 0.00 0.00 46.19 44.14 2jdy s LEU 83 CO -0.06 0.37 0.40 1.07 0.23 0.00 0.00 176.35 178.36 2jdy n THR 84 N 1.82 -0.11 -1.70 5.49 5.66 -1.26 -1.30 114.28 122.87 2jdy n THR 84 Ca -0.18 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.64 2jdy n THR 84 Cb 0.54 -0.48 -0.07 0.00 -1.55 0.00 0.00 70.33 68.77 2jdy n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdy n ASN 85 N -2.14 -4.99 0.00 1.09 5.15 -1.26 -4.70 115.26 108.40 2jdy n ASN 85 Ca 0.07 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 2jdy n ASN 85 Cb 0.47 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.32 2jdy n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jdy n GLU 86 N -2.37 0.00 -3.54 1.20 -0.58 -0.42 -5.08 120.64 109.85 2jdy n GLU 86 Ca -0.19 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.17 2jdy n GLU 86 Cb 0.62 -0.36 -0.10 0.00 -0.57 0.00 0.00 31.44 31.04 2jdy n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jdy s LEU 87 N -3.77 4.06 -0.08 -4.62 2.96 -0.63 -4.42 118.68 112.19 2jdy s LEU 87 Ca 0.00 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2jdy s LEU 87 Cb 0.00 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2jdy s LEU 87 CO 0.00 -0.05 -0.06 0.20 -1.32 0.00 0.00 176.35 175.12 2jdy s ASN 88 N 1.46 4.73 -0.08 3.68 -0.87 0.40 -0.69 114.94 123.57 2jdy s ASN 88 Ca 0.10 -0.02 0.02 0.00 -1.57 0.00 0.00 52.86 51.40 2jdy s ASN 88 Cb -0.15 -1.28 0.01 0.00 -0.02 0.00 0.00 41.25 39.82 2jdy s ASN 88 CO 0.09 0.34 -0.12 -0.36 -2.57 0.00 0.00 177.10 174.48 2jdy s PHE 89 N -0.68 1.51 -0.19 2.20 0.08 -0.13 -2.30 117.98 118.47 2jdy s PHE 89 Ca 0.10 -0.60 -0.04 0.00 0.12 0.00 0.00 56.93 56.51 2jdy s PHE 89 Cb -0.11 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2jdy s PHE 89 CO 0.02 -0.33 -0.02 0.00 -0.10 0.00 0.00 175.22 174.79 2jdy s ALA 90 N 0.84 2.95 -0.04 5.36 0.00 0.45 -0.71 121.76 130.62 2jdy s ALA 90 Ca -0.11 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.91 2jdy s ALA 90 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2jdy s ALA 90 CO 0.02 -0.13 -0.21 -0.51 0.00 0.00 0.00 175.76 174.93 2jdy s LEU 91 N 0.97 2.34 -0.03 0.00 1.43 0.32 -0.47 118.68 123.24 2jdy s LEU 91 Ca 0.01 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2jdy s LEU 91 Cb -0.14 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2jdy s LEU 91 CO 0.01 0.31 -0.05 -0.69 0.23 0.00 0.00 176.35 176.16 2jdy s VAL 92 N -0.55 0.55 0.25 -1.59 1.01 0.02 -1.89 120.40 118.19 2jdy s VAL 92 Ca 0.08 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.98 2jdy s VAL 92 Cb -0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2jdy s VAL 92 CO 0.00 0.20 -0.15 -0.83 0.00 0.00 0.00 175.10 174.33 2jdy s GLY 93 N 0.54 1.80 -0.00 4.51 0.00 0.38 -0.99 107.32 113.56 2jdy s GLY 93 Ca -0.07 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 42.78 2jdy s GLY 93 CO 0.00 -1.83 0.24 -1.35 0.00 0.00 0.00 173.10 170.16 2jdy s SER 94 N -3.36 -0.09 -0.11 1.64 1.04 -0.84 -0.94 113.70 111.03 2jdy s SER 94 Ca 0.28 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2jdy s SER 94 Cb -0.06 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2jdy s SER 94 CO 0.15 -0.43 -0.16 -0.70 0.98 0.00 0.00 173.24 173.09 2jdy s GLU 95 N -1.45 2.29 0.00 4.02 2.56 -0.11 -2.05 118.70 123.96 2jdy s GLU 95 Ca -0.13 -0.59 0.14 0.00 0.00 0.00 0.00 54.97 54.39 2jdy s GLU 95 Cb -0.06 -1.95 0.14 0.00 2.00 0.00 0.00 34.13 34.26 2jdy s GLU 95 CO 0.03 -0.07 0.99 -0.40 -0.56 0.00 0.00 175.26 175.24 2jdy n ASP 96 N 4.23 2.28 0.00 -1.70 5.68 -1.26 -1.80 116.55 123.98 2jdy n ASP 96 Ca -0.19 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 2jdy n ASP 96 Cb 0.51 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2jdy n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdy n GLY 97 N 0.80 4.97 0.00 6.12 0.00 -1.26 -5.06 105.19 110.77 2jdy n GLY 97 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2jdy n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdy n THR 98 N 0.00 0.00 0.84 2.61 -2.24 -1.26 -4.69 114.28 109.53 2jdy n THR 98 Ca 0.00 -0.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2jdy n THR 98 Cb 0.00 1.07 0.31 0.00 -2.10 0.00 0.00 70.33 69.61 2jdy n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jdy n ASP 99 N -0.32 0.49 -3.83 3.42 5.75 -1.26 -4.96 116.55 115.84 2jdy n ASP 99 Ca 0.00 0.08 -0.28 0.00 -0.01 0.00 0.00 54.79 54.59 2jdy n ASP 99 Cb 0.02 -0.01 0.03 0.00 -1.03 0.00 0.00 41.12 40.13 2jdy n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jdy n ASN 100 N -1.75 -4.34 0.10 -1.12 3.02 -1.26 -4.88 115.26 105.02 2jdy n ASN 100 Ca 0.05 -0.76 0.12 0.00 -0.03 0.00 0.00 54.58 53.97 2jdy n ASN 100 Cb 0.38 -4.07 0.23 0.00 -0.61 0.00 0.00 39.78 35.70 2jdy n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2jdy h ASP 101 N -2.13 0.00 -2.98 6.41 2.03 -1.92 -3.48 116.42 114.34 2jdy h ASP 101 Ca -0.58 -0.10 -0.30 0.00 -0.73 0.00 0.00 57.03 55.32 2jdy h ASP 101 Cb 1.37 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.83 2jdy h ASP 101 CO 0.64 0.05 -0.35 -1.22 -1.03 0.00 0.00 179.24 177.33 2jdy n TYR 102 N -2.33 -1.03 0.04 4.15 4.02 -1.26 -4.81 117.16 115.94 2jdy n TYR 102 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.94 2jdy n TYR 102 Cb 0.46 -3.02 0.03 0.00 -0.02 0.00 0.00 39.34 36.79 2jdy n TYR 102 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2jdy n ASN 103 N -1.55 1.81 -0.30 7.72 0.23 -1.13 -1.98 115.26 120.06 2jdy n ASN 103 Ca -0.17 -1.59 -0.04 0.00 -0.53 0.00 0.00 54.58 52.25 2jdy n ASN 103 Cb 0.59 -0.04 0.07 0.00 -2.08 0.00 0.00 39.78 38.33 2jdy n ASN 103 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jdy h ASP 104 N 0.66 0.93 -3.30 0.53 3.32 -1.55 -3.23 116.42 113.79 2jdy h ASP 104 Ca 0.00 -0.03 -0.47 0.00 0.02 0.00 0.00 57.03 56.55 2jdy h ASP 104 Cb 0.37 -0.23 -0.36 0.00 0.22 0.00 0.00 39.33 39.32 2jdy h ASP 104 CO 0.00 0.68 -0.79 0.00 -1.72 0.00 0.00 179.24 177.41 2jdy s ALA 105 N -6.13 1.00 -0.15 3.45 0.00 -1.26 -1.38 121.76 117.30 2jdy s ALA 105 Ca -0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 2jdy s ALA 105 Cb 0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2jdy s ALA 105 CO 0.79 -0.25 -0.04 0.08 0.00 0.00 0.00 175.76 176.34 2jdy s VAL 106 N 1.44 3.92 -0.07 0.00 1.01 0.14 -2.58 120.40 124.25 2jdy s VAL 106 Ca -0.02 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2jdy s VAL 106 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2jdy s VAL 106 CO -0.04 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.69 2jdy s VAL 107 N 0.27 1.63 -0.14 2.92 1.01 -0.16 -0.18 120.40 125.75 2jdy s VAL 107 Ca -0.03 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2jdy s VAL 107 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2jdy s VAL 107 CO 0.03 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 2jdy s VAL 108 N 0.34 1.98 -0.14 2.92 1.01 0.12 -0.80 120.40 125.82 2jdy s VAL 108 Ca -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2jdy s VAL 108 Cb -0.16 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2jdy s VAL 108 CO 0.05 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 2jdy s ILE 109 N 0.85 3.85 0.00 2.22 1.01 0.38 -1.33 121.20 128.18 2jdy s ILE 109 Ca -0.07 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2jdy s ILE 109 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2jdy s ILE 109 CO -0.02 0.51 -0.09 0.54 0.00 0.00 0.00 174.94 175.88 2jdy s ASN 110 N 0.21 1.05 0.15 3.58 4.22 -0.31 -0.41 114.94 123.43 2jdy s ASN 110 Ca -0.03 -0.20 -0.18 0.00 -2.14 0.00 0.00 52.86 50.31 2jdy s ASN 110 Cb -0.14 -0.10 0.04 0.00 1.28 0.00 0.00 41.25 42.33 2jdy s ASN 110 CO 0.03 0.08 0.48 -1.66 -2.04 0.00 0.00 177.10 173.99 2jdy s TRP 111 N -0.33 -0.29 0.77 1.54 -2.14 -0.97 -0.79 118.94 116.74 2jdy s TRP 111 Ca 0.02 -0.00 -0.12 0.00 2.66 0.00 0.00 56.10 58.66 2jdy s TRP 111 Cb -0.04 0.37 0.06 0.00 -3.10 0.00 0.00 33.47 30.76 2jdy s TRP 111 CO -0.00 -0.78 1.13 -1.25 -2.66 0.00 0.00 176.95 173.38 2jdy s PRO 112 N -3.80 2.29 0.57 3.25 0.04 -1.26 -0.45 135.00 135.63 2jdy s PRO 112 Ca 0.03 0.35 0.07 0.00 0.04 0.00 0.00 61.00 61.49 2jdy s PRO 112 Cb 0.00 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.65 2jdy s PRO 112 CO -0.11 -1.41 0.59 -0.51 0.04 0.00 0.00 177.00 175.60 2jdy s LEU 113 N -5.55 2.82 0.00 -3.56 1.43 -1.26 -4.99 118.68 107.57 2jdy s LEU 113 Ca 0.60 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2jdy s LEU 113 Cb -0.12 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2jdy s LEU 113 CO 0.51 -1.26 0.00 0.61 0.23 0.00 0.00 176.35 176.44