#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdm n THR 2 N 0.00 1.48 -4.19 0.00 -1.04 -1.26 -5.02 114.28 104.25 2jdm n THR 2 Ca 0.00 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.05 61.50 2jdm n THR 2 Cb 0.00 -1.97 -0.11 0.00 -1.82 0.00 0.00 70.33 66.44 2jdm n THR 2 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jdm s GLN 3 N -1.26 0.88 0.00 -2.82 -1.52 -1.26 -4.84 119.66 108.84 2jdm s GLN 3 Ca 0.59 -1.23 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 2jdm s GLN 3 Cb -0.49 -0.51 0.00 0.00 -0.22 0.00 0.00 33.01 31.80 2jdm s GLN 3 CO 0.56 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 176.07 2jdm n GLY 4 N 0.35 0.63 3.31 3.09 0.00 -1.26 -4.90 105.19 106.41 2jdm n GLY 4 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2jdm n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdm s VAL 5 N -2.10 2.84 -0.01 1.61 1.01 -1.26 -0.63 120.40 121.86 2jdm s VAL 5 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2jdm s VAL 5 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2jdm s VAL 5 CO 0.00 0.52 -0.06 -0.36 0.00 0.00 0.00 175.10 175.20 2jdm s PHE 6 N 0.60 0.62 -0.39 5.22 0.08 0.18 -5.01 117.98 119.28 2jdm s PHE 6 Ca -0.08 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 2jdm s PHE 6 Cb -0.16 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 2jdm s PHE 6 CO 0.03 -0.05 0.53 0.99 -0.10 0.00 0.00 175.22 176.62 2jdm s THR 7 N 0.09 4.98 0.39 0.64 2.01 -1.26 -1.30 115.64 121.19 2jdm s THR 7 Ca -0.01 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2jdm s THR 7 Cb -0.05 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2jdm s THR 7 CO -0.00 -0.37 0.59 -0.76 -0.69 0.00 0.00 174.62 173.39 2jdm s LEU 8 N 2.46 3.85 0.41 4.42 1.02 0.15 -5.00 118.68 125.99 2jdm s LEU 8 Ca 0.18 0.32 -0.27 0.00 0.02 0.00 0.00 54.13 54.38 2jdm s LEU 8 Cb -0.15 -3.19 -0.10 0.00 0.02 0.00 0.00 46.19 42.77 2jdm s LEU 8 CO 0.15 -0.48 1.44 -2.16 0.02 0.00 0.00 176.35 175.32 2jdm s PRO 9 N -4.40 3.92 0.53 1.29 0.04 -1.26 -4.40 135.00 130.72 2jdm s PRO 9 Ca 0.44 2.46 -0.22 0.00 0.04 0.00 0.00 61.00 63.72 2jdm s PRO 9 Cb -0.10 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 2jdm s PRO 9 CO 0.36 -0.64 1.32 0.00 0.04 0.00 0.00 177.00 178.07 2jdm n ALA 10 N 0.16 1.44 -3.25 8.56 0.00 -1.26 -3.56 120.51 122.59 2jdm n ALA 10 Ca 0.03 0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.38 2jdm n ALA 10 Cb 0.41 -2.32 0.05 0.00 0.00 0.00 0.00 19.45 17.59 2jdm n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jdm n ASN 11 N -0.79 -6.21 -4.27 0.00 3.02 0.22 -4.91 115.26 102.33 2jdm n ASN 11 Ca 0.10 -0.39 -0.32 0.00 -0.03 0.00 0.00 54.58 53.94 2jdm n ASN 11 Cb 0.44 -4.94 -0.16 0.00 -0.61 0.00 0.00 39.78 34.51 2jdm n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdm s THR 12 N -3.24 2.13 0.26 3.41 2.01 -1.23 -4.86 115.64 114.12 2jdm s THR 12 Ca 0.42 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 2jdm s THR 12 Cb -0.19 -1.79 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 2jdm s THR 12 CO 0.52 0.57 1.18 -0.13 -0.69 0.00 0.00 174.62 176.06 2jdm s ARG 13 N -0.05 4.53 0.07 4.92 0.52 -1.26 -1.32 118.95 126.37 2jdm s ARG 13 Ca -0.07 1.91 0.02 0.00 -0.52 0.00 0.00 55.73 57.07 2jdm s ARG 13 Cb -0.15 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 2jdm s ARG 13 CO 0.05 0.03 -0.06 -0.59 0.02 0.00 0.00 175.30 174.74 2jdm s PHE 14 N -0.77 0.77 -0.06 -0.53 -0.71 0.31 -4.13 117.98 112.86 2jdm s PHE 14 Ca 0.48 -0.80 -0.06 0.00 -1.04 0.00 0.00 56.93 55.52 2jdm s PHE 14 Cb -0.34 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 2jdm s PHE 14 CO 0.42 -0.16 0.18 0.20 -1.34 0.00 0.00 175.22 174.52 2jdm s GLY 15 N -2.56 2.19 -0.04 1.99 0.00 0.22 -1.39 107.32 107.73 2jdm s GLY 15 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.10 2jdm s GLY 15 CO -0.04 -0.46 -0.03 0.54 0.00 0.00 0.00 173.10 173.11 2jdm s VAL 16 N -1.17 0.42 -0.02 1.40 0.11 -0.58 -1.20 120.40 119.36 2jdm s VAL 16 Ca 0.21 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2jdm s VAL 16 Cb -0.13 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2jdm s VAL 16 CO 0.11 0.21 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.16 2jdm s THR 17 N 1.08 0.43 0.06 5.04 2.01 -0.31 -1.33 115.64 122.62 2jdm s THR 17 Ca -0.09 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 61.82 2jdm s THR 17 Cb -0.14 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2jdm s THR 17 CO -0.01 0.15 -0.21 0.00 -0.69 0.00 0.00 174.62 173.87 2jdm s ALA 18 N 0.27 1.75 0.09 7.40 0.00 -0.24 -0.63 121.76 130.40 2jdm s ALA 18 Ca -0.03 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.91 2jdm s ALA 18 Cb -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2jdm s ALA 18 CO -0.00 0.38 -0.18 -0.06 0.00 0.00 0.00 175.76 175.90 2jdm s PHE 19 N -0.88 1.56 0.00 0.00 0.08 0.18 -0.92 117.98 118.00 2jdm s PHE 19 Ca 0.07 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.74 2jdm s PHE 19 Cb -0.09 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 2jdm s PHE 19 CO 0.02 0.15 -0.19 0.00 -0.10 0.00 0.00 175.22 175.10 2jdm s ALA 20 N -1.24 2.52 -0.41 5.36 0.00 -0.76 -1.20 121.76 126.03 2jdm s ALA 20 Ca 0.03 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2jdm s ALA 20 Cb -0.10 -0.76 0.26 0.00 0.00 0.00 0.00 23.12 22.52 2jdm s ALA 20 CO 0.03 0.56 0.66 0.09 0.00 0.00 0.00 175.76 177.10 2jdm n ASN 21 N 1.96 -0.58 -3.49 0.00 3.02 -0.26 -1.56 115.26 114.37 2jdm n ASN 21 Ca -0.16 -2.92 -0.10 0.00 -0.03 0.00 0.00 54.58 51.36 2jdm n ASN 21 Cb 0.52 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 2jdm n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jdm s ALA 22 N -0.83 -1.77 0.28 5.41 0.00 0.39 -4.11 121.76 121.13 2jdm s ALA 22 Ca 0.34 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2jdm s ALA 22 Cb 0.21 0.44 0.40 0.00 0.00 0.00 0.00 23.12 24.18 2jdm s ALA 22 CO -0.14 -0.67 1.76 0.66 0.00 0.00 0.00 175.76 177.38 2jdm h SER 23 N 2.09 0.62 -3.05 0.00 4.64 -1.96 -3.36 113.55 112.52 2jdm h SER 23 Ca -0.25 -0.17 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 2jdm h SER 23 Cb 1.25 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2jdm h SER 23 CO 0.33 0.75 -0.24 -0.83 -0.87 0.00 0.00 176.83 175.97 2jdm s GLY 24 N -3.85 1.89 0.18 -0.77 0.00 -1.26 -4.90 107.32 98.61 2jdm s GLY 24 Ca -0.08 -0.67 -0.32 0.00 0.00 0.00 0.00 44.72 43.66 2jdm s GLY 24 CO 0.80 -0.59 1.64 -1.59 0.00 0.00 0.00 173.10 173.36 2jdm s THR 25 N -1.93 2.38 -0.09 0.90 2.01 -1.26 -4.75 115.64 112.89 2jdm s THR 25 Ca 0.41 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.54 2jdm s THR 25 Cb -0.11 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2jdm s THR 25 CO 0.29 0.02 0.32 -1.10 -0.69 0.00 0.00 174.62 173.46 2jdm s GLN 26 N 1.22 4.00 -0.19 4.92 -1.52 -0.05 -4.37 119.66 123.65 2jdm s GLN 26 Ca 0.72 0.20 -0.02 0.00 -1.95 0.00 0.00 55.36 54.31 2jdm s GLN 26 Cb -0.46 -3.31 -0.00 0.00 -0.22 0.00 0.00 33.01 29.02 2jdm s GLN 26 CO 0.32 0.49 -0.10 0.99 -0.25 0.00 0.00 175.29 176.74 2jdm s THR 27 N -0.34 2.98 -0.20 -0.19 2.01 -0.13 -2.08 115.64 117.68 2jdm s THR 27 Ca 0.19 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 2jdm s THR 27 Cb -0.14 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 2jdm s THR 27 CO 0.08 0.47 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 2jdm s VAL 28 N 1.23 3.37 -0.11 3.82 1.01 0.13 -1.14 120.40 128.72 2jdm s VAL 28 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2jdm s VAL 28 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2jdm s VAL 28 CO -0.04 0.44 -0.04 0.20 0.00 0.00 0.00 175.10 175.66 2jdm s ASN 29 N 1.26 4.82 -0.21 3.32 0.01 -0.03 -0.50 114.94 123.61 2jdm s ASN 29 Ca 0.03 -0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.14 2jdm s ASN 29 Cb -0.14 -1.48 0.01 0.00 0.41 0.00 0.00 41.25 40.05 2jdm s ASN 29 CO -0.02 0.29 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.04 2jdm s VAL 30 N -0.36 2.56 -0.12 1.60 1.01 -0.03 -1.35 120.40 123.72 2jdm s VAL 30 Ca 0.06 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2jdm s VAL 30 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2jdm s VAL 30 CO 0.02 0.42 0.08 -0.76 0.00 0.00 0.00 175.10 174.87 2jdm s LEU 31 N 1.34 4.03 -0.10 3.92 1.02 0.79 0.01 118.68 129.69 2jdm s LEU 31 Ca 0.04 0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.52 2jdm s LEU 31 Cb -0.14 -1.97 0.01 0.00 0.02 0.00 0.00 46.19 44.11 2jdm s LEU 31 CO -0.09 0.37 -0.18 -0.69 0.02 0.00 0.00 176.35 175.78 2jdm s VAL 32 N -0.80 1.67 -1.55 -1.59 1.01 0.13 -1.33 120.40 117.94 2jdm s VAL 32 Ca 0.13 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 2jdm s VAL 32 Cb -0.12 -1.49 0.09 0.00 0.00 0.00 0.00 36.38 34.85 2jdm s VAL 32 CO 0.03 0.48 0.74 -3.20 0.00 0.00 0.00 175.10 173.14 2jdm n ASN 33 N 3.92 -2.79 -1.35 3.32 5.15 -0.90 -1.65 115.26 120.97 2jdm n ASN 33 Ca -0.20 -0.93 -0.15 0.00 -0.60 0.00 0.00 54.58 52.70 2jdm n ASN 33 Cb 0.52 -3.25 -0.05 0.00 -0.53 0.00 0.00 39.78 36.47 2jdm n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jdm n ASN 34 N -2.82 -4.78 -4.10 1.20 5.03 -1.26 -4.99 115.26 103.53 2jdm n ASN 34 Ca -0.06 0.26 -0.21 0.00 0.87 0.00 0.00 54.58 55.43 2jdm n ASN 34 Cb 0.57 -3.72 -0.15 0.00 -1.02 0.00 0.00 39.78 35.46 2jdm n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2jdm s GLU 35 N -3.75 1.05 0.07 3.52 0.41 -0.66 -5.09 118.70 114.25 2jdm s GLU 35 Ca 0.00 -0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 2jdm s GLU 35 Cb 0.00 -1.02 -0.09 0.00 -1.78 0.00 0.00 34.13 31.24 2jdm s GLU 35 CO 0.00 0.28 1.90 0.99 -0.49 0.00 0.00 175.26 177.94 2jdm s THR 36 N -0.36 2.85 -0.15 3.63 2.01 -1.26 -0.69 115.64 121.66 2jdm s THR 36 Ca 0.05 0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.22 2jdm s THR 36 Cb -0.05 -3.04 -0.17 0.00 0.01 0.00 0.00 72.50 69.24 2jdm s THR 36 CO -0.00 -0.00 0.02 0.00 -0.69 0.00 0.00 174.62 173.94 2jdm n ALA 37 N 6.77 1.63 -3.24 7.40 0.00 0.10 -4.87 120.51 128.29 2jdm n ALA 37 Ca 0.19 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 2jdm n ALA 37 Cb 0.40 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2jdm n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdm s ALA 38 N -2.36 -0.80 -0.05 0.00 0.00 -0.93 -5.01 121.76 112.61 2jdm s ALA 38 Ca -0.10 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2jdm s ALA 38 Cb 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2jdm s ALA 38 CO 0.58 -0.25 -0.04 0.99 0.00 0.00 0.00 175.76 177.05 2jdm s THR 39 N -1.11 0.51 0.02 0.00 2.01 -1.26 -0.85 115.64 114.96 2jdm s THR 39 Ca -0.12 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 61.88 2jdm s THR 39 Cb -0.05 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2jdm s THR 39 CO 0.04 0.23 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.63 2jdm s PHE 40 N 1.12 2.48 0.01 4.92 0.08 0.34 -4.98 117.98 121.95 2jdm s PHE 40 Ca -0.08 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 2jdm s PHE 40 Cb -0.14 -1.47 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 2jdm s PHE 40 CO -0.01 0.18 0.11 -1.54 -0.10 0.00 0.00 175.22 173.86 2jdm s SER 41 N -1.21 0.07 0.00 1.36 1.04 -1.26 0.23 113.70 113.93 2jdm s SER 41 Ca 0.13 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2jdm s SER 41 Cb -0.10 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2jdm s SER 41 CO 0.03 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2jdm n GLY 42 N 1.45 0.26 2.84 7.32 0.00 -0.88 -4.87 105.19 111.31 2jdm n GLY 42 Ca -0.23 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 2jdm n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdm s GLN 43 N -2.00 0.50 -0.15 1.61 -0.44 -1.26 -0.87 119.66 117.05 2jdm s GLN 43 Ca 0.00 0.01 -0.29 0.00 -2.50 0.00 0.00 55.36 52.58 2jdm s GLN 43 Cb 0.00 -0.62 0.08 0.00 -1.64 0.00 0.00 33.01 30.83 2jdm s GLN 43 CO 0.00 -0.12 0.77 0.45 0.50 0.00 0.00 175.29 176.89 2jdm s SER 44 N 1.01 -0.62 -0.09 6.67 0.15 -1.26 -5.00 113.70 114.56 2jdm s SER 44 Ca -0.10 0.90 0.13 0.00 0.70 0.00 0.00 55.95 57.58 2jdm s SER 44 Cb -0.14 0.80 0.37 0.00 -1.71 0.00 0.00 66.02 65.34 2jdm s SER 44 CO -0.01 -0.42 1.29 0.35 1.20 0.00 0.00 173.24 175.64 2jdm n THR 45 N 1.52 1.67 -2.09 6.45 -2.24 -1.26 -0.46 114.28 117.87 2jdm n THR 45 Ca -0.16 -1.54 0.02 0.00 -2.27 0.00 0.00 64.05 60.11 2jdm n THR 45 Cb 0.56 0.08 0.11 0.00 -2.10 0.00 0.00 70.33 68.98 2jdm n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jdm n ASN 46 N -0.28 1.66 -1.43 3.42 3.02 -1.26 -4.82 115.26 115.58 2jdm n ASN 46 Ca 0.15 -2.98 -0.17 0.00 -0.03 0.00 0.00 54.58 51.55 2jdm n ASN 46 Cb 0.64 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 2jdm n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jdm n ASN 47 N -0.39 -5.07 -4.66 6.41 5.15 -0.60 -4.94 115.26 111.16 2jdm n ASN 47 Ca 0.15 0.35 -0.43 0.00 -0.60 0.00 0.00 54.58 54.05 2jdm n ASN 47 Cb 0.91 -4.10 -0.00 0.00 -0.53 0.00 0.00 39.78 36.06 2jdm n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdm n ALA 48 N 0.78 0.71 -2.39 5.20 0.00 -1.24 -4.53 120.51 119.04 2jdm n ALA 48 Ca -0.18 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 2jdm n ALA 48 Cb 0.58 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 2jdm n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jdm s VAL 49 N -1.13 4.09 -1.69 0.00 1.01 -1.26 -1.83 120.40 119.59 2jdm s VAL 49 Ca 0.58 1.21 0.24 0.00 0.00 0.00 0.00 61.98 64.02 2jdm s VAL 49 Cb -0.59 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 31.71 2jdm s VAL 49 CO 0.60 -0.49 1.27 2.30 0.00 0.00 0.00 175.10 178.77 2jdm n ILE 50 N 6.31 0.00 -3.65 2.22 -5.35 -0.09 -4.96 119.36 113.84 2jdm n ILE 50 Ca 0.15 -0.15 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 2jdm n ILE 50 Cb 0.47 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 2jdm n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jdm s GLY 51 N -2.61 -0.10 -0.15 3.28 0.00 -1.21 -4.04 107.32 102.49 2jdm s GLY 51 Ca 0.18 2.23 -0.18 0.00 0.00 0.00 0.00 44.72 46.96 2jdm s GLY 51 CO 0.61 0.79 0.48 -1.08 0.00 0.00 0.00 173.10 173.89 2jdm s THR 52 N -1.71 0.01 0.11 0.90 -1.32 -1.26 -1.08 115.64 111.29 2jdm s THR 52 Ca 0.11 -0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.29 2jdm s THR 52 Cb -0.01 -0.69 0.07 0.00 -1.51 0.00 0.00 72.50 70.36 2jdm s THR 52 CO -0.04 -0.03 0.64 -1.58 -2.21 0.00 0.00 174.62 171.40 2jdm s GLN 53 N -0.04 1.20 -0.13 7.08 0.74 -0.44 -5.01 119.66 123.05 2jdm s GLN 53 Ca -0.02 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.02 2jdm s GLN 53 Cb -0.03 0.56 -0.02 0.00 1.10 0.00 0.00 33.01 34.61 2jdm s GLN 53 CO 0.02 -0.51 -0.08 0.08 -0.55 0.00 0.00 175.29 174.25 2jdm s VAL 54 N -3.33 3.52 0.28 1.34 1.01 -1.26 -1.53 120.40 120.42 2jdm s VAL 54 Ca -0.00 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2jdm s VAL 54 Cb -0.01 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 2jdm s VAL 54 CO -0.10 0.52 0.01 -0.76 0.00 0.00 0.00 175.10 174.77 2jdm s LEU 55 N 0.18 2.25 -0.09 3.92 1.43 -0.49 -4.97 118.68 120.91 2jdm s LEU 55 Ca -0.04 -1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 51.78 2jdm s LEU 55 Cb -0.14 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.65 2jdm s LEU 55 CO 0.04 -0.50 -0.07 0.21 0.23 0.00 0.00 176.35 176.26 2jdm s ASN 56 N -3.41 4.64 0.37 2.29 3.84 -1.26 -0.53 114.94 120.88 2jdm s ASN 56 Ca 0.32 -0.07 0.28 0.00 0.21 0.00 0.00 52.86 53.59 2jdm s ASN 56 Cb 0.06 -1.35 1.20 0.00 -0.55 0.00 0.00 41.25 40.61 2jdm s ASN 56 CO 0.12 0.30 1.82 0.77 -2.79 0.00 0.00 177.10 177.33 2jdm h SER 57 N 5.70 0.00 -2.57 -4.21 4.64 -1.51 -3.47 113.55 112.13 2jdm h SER 57 Ca -0.43 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2jdm h SER 57 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jdm h SER 57 CO 0.55 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 177.11 2jdm n GLY 58 N -0.20 -1.55 0.31 -0.77 0.00 -1.26 -2.73 105.19 98.99 2jdm n GLY 58 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2jdm n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdm h SER 59 N -0.02 0.67 0.68 1.61 4.64 -1.95 0.69 113.55 119.87 2jdm h SER 59 Ca 0.00 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.07 2jdm h SER 59 Cb 0.02 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 2jdm h SER 59 CO 0.00 0.58 -1.44 0.77 -0.87 0.00 0.00 176.83 175.87 2jdm h SER 60 N 0.74 0.00 0.00 4.97 4.64 -1.96 -3.44 113.55 118.49 2jdm h SER 60 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2jdm h SER 60 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2jdm h SER 60 CO -0.02 0.64 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2jdm n GLY 61 N 1.42 0.77 3.71 -0.77 0.00 -1.11 -4.78 105.19 104.43 2jdm n GLY 61 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2jdm n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdm s LYS 62 N -0.19 4.53 -0.04 1.61 2.20 -1.26 0.33 119.74 126.92 2jdm s LYS 62 Ca 0.00 1.56 0.02 0.00 -0.36 0.00 0.00 55.97 57.19 2jdm s LYS 62 Cb 0.00 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 2jdm s LYS 62 CO 0.00 -0.10 -0.07 0.08 -0.36 0.00 0.00 175.35 174.90 2jdm s VAL 63 N 0.88 0.72 -0.02 4.02 1.01 -0.42 -2.11 120.40 124.48 2jdm s VAL 63 Ca 0.54 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2jdm s VAL 63 Cb -0.25 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2jdm s VAL 63 CO 0.29 0.25 -0.09 -1.58 0.00 0.00 0.00 175.10 173.97 2jdm s GLN 64 N 0.56 0.88 -0.13 2.72 0.74 -0.44 -0.65 119.66 123.33 2jdm s GLN 64 Ca -0.09 -0.29 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 2jdm s GLN 64 Cb -0.12 -0.83 -0.03 0.00 1.10 0.00 0.00 33.01 33.13 2jdm s GLN 64 CO 0.01 0.12 -0.03 0.08 -0.55 0.00 0.00 175.29 174.92 2jdm s VAL 65 N 0.12 4.00 0.03 1.34 1.01 0.20 -0.14 120.40 126.96 2jdm s VAL 65 Ca -0.02 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2jdm s VAL 65 Cb -0.07 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2jdm s VAL 65 CO 0.00 0.53 -0.14 -1.10 0.00 0.00 0.00 175.10 174.39 2jdm s GLN 66 N -0.03 0.95 -0.05 2.72 -0.21 -0.46 -4.74 119.66 117.84 2jdm s GLN 66 Ca 0.02 -0.67 0.03 0.00 0.02 0.00 0.00 55.36 54.75 2jdm s GLN 66 Cb -0.13 -0.94 0.01 0.00 1.00 0.00 0.00 33.01 32.94 2jdm s GLN 66 CO 0.02 0.24 -0.12 0.08 -2.12 0.00 0.00 175.29 173.40 2jdm s VAL 67 N -0.70 1.04 -0.04 1.09 1.01 -1.26 -0.85 120.40 120.69 2jdm s VAL 67 Ca 0.02 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2jdm s VAL 67 Cb -0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2jdm s VAL 67 CO 0.01 0.32 -0.19 -0.55 0.00 0.00 0.00 175.10 174.69 2jdm s SER 68 N 0.41 2.30 -0.02 3.32 0.15 -0.29 -0.45 113.70 119.12 2jdm s SER 68 Ca -0.09 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2jdm s SER 68 Cb -0.13 -0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.66 2jdm s SER 68 CO 0.02 0.18 0.02 -0.69 1.20 0.00 0.00 173.24 173.97 2jdm s VAL 69 N -0.10 0.00 -1.86 4.45 1.01 -0.44 -0.95 120.40 122.52 2jdm s VAL 69 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2jdm s VAL 69 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2jdm s VAL 69 CO 0.02 0.08 0.00 -3.20 0.00 0.00 0.00 175.10 171.99 2jdm n ASN 70 N 3.88 -5.28 0.00 3.32 4.05 -1.26 -1.90 115.26 118.07 2jdm n ASN 70 Ca -0.24 0.27 0.00 0.00 0.45 0.00 0.00 54.58 55.06 2jdm n ASN 70 Cb 0.53 -4.56 0.00 0.00 1.23 0.00 0.00 39.78 36.98 2jdm n ASN 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jdm n GLY 71 N -0.64 0.75 3.03 8.20 0.00 -1.26 -5.07 105.19 110.19 2jdm n GLY 71 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2jdm n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdm s ARG 72 N -0.74 0.69 0.30 1.61 3.00 -0.80 -5.13 118.95 117.89 2jdm s ARG 72 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 55.73 55.07 2jdm s ARG 72 Cb 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 34.95 34.19 2jdm s ARG 72 CO 0.00 0.18 1.41 -1.25 0.00 0.00 0.00 175.30 175.64 2jdm s PRO 73 N -0.36 4.26 0.49 3.54 0.04 -1.26 -1.32 135.00 140.39 2jdm s PRO 73 Ca 0.02 2.34 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 2jdm s PRO 73 Cb -0.04 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 2jdm s PRO 73 CO -0.00 -0.37 0.90 -1.12 0.04 0.00 0.00 177.00 176.45 2jdm s SER 74 N -0.02 6.50 0.09 6.66 0.01 0.41 -4.90 113.70 122.44 2jdm s SER 74 Ca 0.55 1.34 -0.30 0.00 1.31 0.00 0.00 55.95 58.85 2jdm s SER 74 Cb -0.42 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.34 2jdm s SER 74 CO 0.51 -0.56 0.95 -0.62 0.41 0.00 0.00 173.24 173.92 2jdm s ASP 75 N -3.36 7.46 0.06 2.44 2.15 -0.58 -4.79 116.67 120.05 2jdm s ASP 75 Ca 0.55 1.75 0.03 0.00 0.43 0.00 0.00 52.55 55.31 2jdm s ASP 75 Cb -0.10 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2jdm s ASP 75 CO 0.36 -0.08 0.04 -0.76 -0.17 0.00 0.00 175.17 174.56 2jdm s LEU 76 N 0.10 3.67 0.05 -1.34 1.43 -1.26 -0.50 118.68 120.82 2jdm s LEU 76 Ca 0.47 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2jdm s LEU 76 Cb -0.23 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2jdm s LEU 76 CO 0.29 0.20 -0.14 0.68 0.23 0.00 0.00 176.35 177.61 2jdm s VAL 77 N -1.30 1.10 0.16 -1.59 -7.23 -0.32 -4.85 120.40 106.37 2jdm s VAL 77 Ca 0.26 -1.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.16 2jdm s VAL 77 Cb -0.12 -1.01 0.06 0.00 0.56 0.00 0.00 36.38 35.87 2jdm s VAL 77 CO 0.18 -0.05 0.56 -0.94 -0.31 0.00 0.00 175.10 174.54 2jdm s SER 78 N -1.26 -0.48 0.10 4.85 1.04 -1.26 -0.57 113.70 116.12 2jdm s SER 78 Ca 0.01 -0.10 -0.25 0.00 0.48 0.00 0.00 55.95 56.09 2jdm s SER 78 Cb -0.08 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.69 2jdm s SER 78 CO 0.01 -0.96 0.75 0.00 0.98 0.00 0.00 173.24 174.03 2jdm s ALA 79 N -3.77 -1.66 -0.05 5.32 0.00 -0.88 -4.92 121.76 115.80 2jdm s ALA 79 Ca 0.02 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2jdm s ALA 79 Cb -0.00 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 2jdm s ALA 79 CO -0.12 -0.78 -0.22 -1.14 0.00 0.00 0.00 175.76 173.50 2jdm s GLN 80 N -3.48 2.46 -0.02 0.00 0.74 -1.26 -0.96 119.66 117.13 2jdm s GLN 80 Ca 0.04 -0.85 0.05 0.00 0.05 0.00 0.00 55.36 54.65 2jdm s GLN 80 Cb -0.01 -2.21 -0.01 0.00 1.10 0.00 0.00 33.01 31.88 2jdm s GLN 80 CO -0.09 0.48 -0.16 0.08 -0.55 0.00 0.00 175.29 175.05 2jdm s VAL 81 N -0.40 1.31 -0.12 1.34 1.01 -0.06 -4.99 120.40 118.48 2jdm s VAL 81 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2jdm s VAL 81 Cb -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2jdm s VAL 81 CO 0.02 0.38 -0.23 -0.63 0.00 0.00 0.00 175.10 174.63 2jdm s ILE 82 N -0.20 2.09 -0.09 2.22 1.01 -1.26 -0.93 121.20 124.04 2jdm s ILE 82 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 2jdm s ILE 82 Cb -0.08 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2jdm s ILE 82 CO 0.00 0.55 -0.05 -0.76 0.00 0.00 0.00 174.94 174.69 2jdm s LEU 83 N 0.59 3.29 -1.23 2.97 1.43 -0.22 -4.53 118.68 120.98 2jdm s LEU 83 Ca -0.13 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2jdm s LEU 83 Cb -0.17 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.41 2jdm s LEU 83 CO 0.03 0.34 0.45 1.07 0.23 0.00 0.00 176.35 178.47 2jdm n THR 84 N 2.41 -0.68 -1.10 5.49 5.66 -1.26 -1.59 114.28 123.21 2jdm n THR 84 Ca -0.18 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.74 2jdm n THR 84 Cb 0.53 -1.33 -0.03 0.00 -1.55 0.00 0.00 70.33 67.95 2jdm n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdm n ASN 85 N -2.22 -4.45 0.00 1.09 5.15 -1.26 -4.66 115.26 108.91 2jdm n ASN 85 Ca 0.01 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 2jdm n ASN 85 Cb 0.52 -3.31 0.00 0.00 -0.53 0.00 0.00 39.78 36.46 2jdm n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jdm n GLU 86 N -0.57 0.00 -3.75 1.20 -0.58 -0.62 -5.06 120.64 111.26 2jdm n GLU 86 Ca -0.08 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.30 2jdm n GLU 86 Cb 0.45 -0.73 -0.12 0.00 -0.57 0.00 0.00 31.44 30.47 2jdm n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jdm s LEU 87 N -4.38 3.57 -0.13 -4.62 2.96 -0.78 -4.44 118.68 110.86 2jdm s LEU 87 Ca 0.00 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2jdm s LEU 87 Cb 0.00 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2jdm s LEU 87 CO 0.00 -0.08 0.03 0.20 -1.32 0.00 0.00 176.35 175.18 2jdm s ASN 88 N 1.59 5.40 -0.13 3.68 -0.87 0.08 -1.05 114.94 123.65 2jdm s ASN 88 Ca 0.06 0.11 0.03 0.00 -1.57 0.00 0.00 52.86 51.48 2jdm s ASN 88 Cb -0.16 -1.74 0.01 0.00 -0.02 0.00 0.00 41.25 39.34 2jdm s ASN 88 CO 0.04 0.28 -0.21 -0.36 -2.57 0.00 0.00 177.10 174.28 2jdm s PHE 89 N -0.28 2.47 -0.22 2.20 0.40 -0.10 -2.05 117.98 120.39 2jdm s PHE 89 Ca 0.07 -1.20 -0.05 0.00 -0.60 0.00 0.00 56.93 55.15 2jdm s PHE 89 Cb -0.12 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 2jdm s PHE 89 CO 0.02 -0.55 0.01 0.00 0.70 0.00 0.00 175.22 175.40 2jdm s ALA 90 N 0.79 3.00 -0.08 5.36 0.00 0.14 -0.88 121.76 130.08 2jdm s ALA 90 Ca -0.09 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.83 2jdm s ALA 90 Cb -0.16 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2jdm s ALA 90 CO -0.00 -0.36 -0.24 -0.51 0.00 0.00 0.00 175.76 174.65 2jdm s LEU 91 N 1.36 2.12 -0.04 0.00 1.43 -0.14 -0.46 118.68 122.96 2jdm s LEU 91 Ca 0.05 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2jdm s LEU 91 Cb -0.15 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.68 2jdm s LEU 91 CO 0.01 0.21 -0.09 -0.69 0.23 0.00 0.00 176.35 176.02 2jdm s VAL 92 N 0.04 0.81 0.25 -1.59 1.01 -0.07 -2.08 120.40 118.77 2jdm s VAL 92 Ca -0.10 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.66 2jdm s VAL 92 Cb -0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2jdm s VAL 92 CO 0.06 0.27 -0.18 -0.83 0.00 0.00 0.00 175.10 174.41 2jdm s GLY 93 N 0.43 1.81 -0.01 4.51 0.00 0.26 -1.09 107.32 113.23 2jdm s GLY 93 Ca -0.07 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 42.80 2jdm s GLY 93 CO 0.01 -1.84 0.15 -1.35 0.00 0.00 0.00 173.10 170.08 2jdm s SER 94 N -3.28 -0.02 -0.16 1.64 1.04 -0.55 -1.17 113.70 111.19 2jdm s SER 94 Ca 0.28 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2jdm s SER 94 Cb -0.06 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2jdm s SER 94 CO 0.14 -0.33 -0.17 -0.70 0.98 0.00 0.00 173.24 173.16 2jdm s GLU 95 N -1.16 2.66 0.00 4.02 2.56 0.34 -1.99 118.70 125.13 2jdm s GLU 95 Ca -0.12 -0.70 0.17 0.00 0.00 0.00 0.00 54.97 54.31 2jdm s GLU 95 Cb -0.07 -2.34 0.03 0.00 2.00 0.00 0.00 34.13 33.76 2jdm s GLU 95 CO 0.02 -0.21 0.91 -0.40 -0.56 0.00 0.00 175.26 175.01 2jdm n ASP 96 N 4.66 1.83 0.00 -1.70 5.68 -1.26 -1.53 116.55 124.22 2jdm n ASP 96 Ca -0.19 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 2jdm n ASP 96 Cb 0.50 0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2jdm n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdm n GLY 97 N 1.12 5.02 0.00 6.12 0.00 -1.26 -5.02 105.19 111.16 2jdm n GLY 97 Ca 0.08 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.43 2jdm n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdm n THR 98 N 0.00 0.00 0.83 2.61 -2.24 -1.26 -4.72 114.28 109.50 2jdm n THR 98 Ca 0.00 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2jdm n THR 98 Cb 0.00 0.49 0.48 0.00 -2.10 0.00 0.00 70.33 69.20 2jdm n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jdm n ASP 99 N -1.53 0.39 -3.12 3.42 5.75 -1.26 -4.95 116.55 115.26 2jdm n ASP 99 Ca -0.00 0.44 -0.22 0.00 -0.01 0.00 0.00 54.79 54.99 2jdm n ASP 99 Cb 0.04 -0.50 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 2jdm n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jdm n ASN 100 N -1.83 -5.12 0.22 -1.12 3.02 -1.26 -4.88 115.26 104.30 2jdm n ASN 100 Ca 0.06 -0.30 0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2jdm n ASN 100 Cb 0.38 -4.17 0.28 0.00 -0.61 0.00 0.00 39.78 35.66 2jdm n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2jdm h ASP 101 N -1.15 0.00 -1.56 6.41 2.03 -1.93 -3.48 116.42 116.75 2jdm h ASP 101 Ca -0.48 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.44 2jdm h ASP 101 Cb 1.33 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.73 2jdm h ASP 101 CO 0.55 0.06 -0.40 -1.22 -1.03 0.00 0.00 179.24 177.20 2jdm n TYR 102 N -3.13 -0.33 -0.00 4.15 4.01 -1.26 -4.82 117.16 115.78 2jdm n TYR 102 Ca 0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.78 2jdm n TYR 102 Cb 0.50 -3.35 0.03 0.00 -0.31 0.00 0.00 39.34 36.20 2jdm n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jdm n ASN 103 N -1.22 1.94 -0.22 7.72 6.94 -1.13 -1.49 115.26 127.81 2jdm n ASN 103 Ca -0.20 -1.77 -0.07 0.00 -0.02 0.00 0.00 54.58 52.52 2jdm n ASN 103 Cb 0.63 -0.04 0.04 0.00 -2.36 0.00 0.00 39.78 38.05 2jdm n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jdm h ASP 104 N 0.45 0.79 -3.38 0.53 3.32 -1.55 -3.24 116.42 113.33 2jdm h ASP 104 Ca 0.00 -0.12 -0.49 0.00 0.02 0.00 0.00 57.03 56.45 2jdm h ASP 104 Cb 0.44 -0.20 -0.34 0.00 0.22 0.00 0.00 39.33 39.44 2jdm h ASP 104 CO 0.00 0.69 -0.80 0.00 -1.72 0.00 0.00 179.24 177.41 2jdm s ALA 105 N -5.76 1.10 -0.13 3.45 0.00 -1.26 -1.10 121.76 118.06 2jdm s ALA 105 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2jdm s ALA 105 Cb 0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2jdm s ALA 105 CO 0.78 -0.03 -0.14 0.08 0.00 0.00 0.00 175.76 176.46 2jdm s VAL 106 N 0.95 2.95 -0.08 0.00 1.01 -0.34 -2.33 120.40 122.57 2jdm s VAL 106 Ca -0.10 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2jdm s VAL 106 Cb -0.15 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2jdm s VAL 106 CO 0.00 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 2jdm s VAL 107 N 0.45 1.65 -0.16 2.92 1.01 -0.25 -0.65 120.40 125.37 2jdm s VAL 107 Ca -0.10 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2jdm s VAL 107 Cb -0.16 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2jdm s VAL 107 CO 0.05 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 2jdm s VAL 108 N 0.37 1.93 -0.13 2.92 1.01 0.20 -0.89 120.40 125.82 2jdm s VAL 108 Ca -0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2jdm s VAL 108 Cb -0.16 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2jdm s VAL 108 CO 0.06 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 174.95 2jdm s ILE 109 N 1.21 3.39 0.01 2.22 1.01 0.39 -1.16 121.20 128.28 2jdm s ILE 109 Ca 0.02 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2jdm s ILE 109 Cb -0.14 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2jdm s ILE 109 CO -0.10 0.53 -0.07 0.54 0.00 0.00 0.00 174.94 175.84 2jdm s ASN 110 N 0.18 0.77 0.14 3.58 4.22 -0.34 0.23 114.94 123.72 2jdm s ASN 110 Ca -0.05 -0.26 -0.24 0.00 -2.14 0.00 0.00 52.86 50.17 2jdm s ASN 110 Cb -0.15 -0.04 0.07 0.00 1.28 0.00 0.00 41.25 42.41 2jdm s ASN 110 CO 0.04 -0.02 0.69 -1.66 -2.04 0.00 0.00 177.10 174.11 2jdm s TRP 111 N -0.56 -0.44 0.81 1.54 -2.14 -0.87 -0.61 118.94 116.67 2jdm s TRP 111 Ca -0.02 0.21 -0.12 0.00 2.66 0.00 0.00 56.10 58.84 2jdm s TRP 111 Cb -0.05 0.58 0.08 0.00 -3.10 0.00 0.00 33.47 30.97 2jdm s TRP 111 CO 0.00 -0.83 1.12 -1.25 -2.66 0.00 0.00 176.95 173.33 2jdm s PRO 112 N -3.62 2.01 0.33 3.25 0.04 -1.26 -0.74 135.00 135.01 2jdm s PRO 112 Ca 0.04 0.45 0.05 0.00 0.04 0.00 0.00 61.00 61.57 2jdm s PRO 112 Cb -0.02 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.64 2jdm s PRO 112 CO -0.09 -1.63 0.39 1.28 0.04 0.00 0.00 177.00 176.98 2jdm n LEU 113 N -3.41 0.00 0.00 -3.56 4.77 -1.26 -4.97 117.00 108.57 2jdm n LEU 113 Ca 0.07 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2jdm n LEU 113 Cb 0.58 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2jdm n LEU 113 CO 0.57 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.68