#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdk n THR 2 N 0.00 2.25 -4.14 0.00 -1.04 -1.26 -5.01 114.28 105.08 2jdk n THR 2 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 2jdk n THR 2 Cb 0.00 -1.62 -0.11 0.00 -1.82 0.00 0.00 70.33 66.78 2jdk n THR 2 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jdk s GLN 3 N -2.06 0.74 -0.03 -2.82 -1.52 -1.26 -4.85 119.66 107.87 2jdk s GLN 3 Ca 0.58 -1.07 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 2jdk s GLN 3 Cb -0.53 -0.39 0.00 0.00 -0.22 0.00 0.00 33.01 31.88 2jdk s GLN 3 CO 0.61 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 176.11 2jdk n GLY 4 N 0.71 0.47 3.34 3.09 0.00 -1.26 -4.90 105.19 106.64 2jdk n GLY 4 Ca -0.17 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2jdk n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jdk s VAL 5 N -1.98 2.81 -0.00 1.61 1.01 -1.26 -0.50 120.40 122.08 2jdk s VAL 5 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2jdk s VAL 5 Cb 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 2jdk s VAL 5 CO 0.00 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.25 2jdk s PHE 6 N 0.23 0.30 -0.45 5.22 0.08 0.06 -5.01 117.98 118.41 2jdk s PHE 6 Ca -0.10 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.71 2jdk s PHE 6 Cb -0.16 -0.20 0.04 0.00 -0.57 0.00 0.00 43.02 42.13 2jdk s PHE 6 CO 0.06 -0.01 0.50 0.99 -0.10 0.00 0.00 175.22 176.66 2jdk s THR 7 N -0.05 5.02 0.50 0.64 2.01 -1.26 -1.30 115.64 121.19 2jdk s THR 7 Ca 0.01 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 2jdk s THR 7 Cb -0.02 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 2jdk s THR 7 CO -0.00 -0.57 0.76 -0.76 -0.69 0.00 0.00 174.62 173.36 2jdk s LEU 8 N 2.27 3.53 0.25 4.42 1.02 0.35 -5.01 118.68 125.50 2jdk s LEU 8 Ca 0.13 0.57 -0.30 0.00 0.02 0.00 0.00 54.13 54.54 2jdk s LEU 8 Cb -0.18 -3.45 -0.14 0.00 0.02 0.00 0.00 46.19 42.44 2jdk s LEU 8 CO 0.13 -0.77 1.22 -2.65 0.02 0.00 0.00 176.35 174.29 2jdk n PRO 9 N -2.27 1.62 -1.89 1.29 -0.02 -1.26 -4.43 135.00 128.04 2jdk n PRO 9 Ca 0.02 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 2jdk n PRO 9 Cb 0.57 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2jdk n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jdk s ALA 10 N -0.50 2.47 -2.00 3.55 0.00 -1.26 -3.60 121.76 120.41 2jdk s ALA 10 Ca 0.65 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2jdk s ALA 10 Cb -0.71 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 18.91 2jdk s ALA 10 CO 0.55 -1.36 0.00 0.09 0.00 0.00 0.00 175.76 175.03 2jdk n ASN 11 N -1.74 -5.62 -4.41 0.00 3.02 0.69 -4.90 115.26 102.30 2jdk n ASN 11 Ca 0.15 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.66 2jdk n ASN 11 Cb 0.49 -4.80 -0.14 0.00 -0.61 0.00 0.00 39.78 34.72 2jdk n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jdk s THR 12 N -2.87 2.80 0.29 3.41 2.01 -1.24 -4.80 115.64 115.24 2jdk s THR 12 Ca 0.00 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 2jdk s THR 12 Cb 0.00 -2.09 -0.10 0.00 0.01 0.00 0.00 72.50 70.33 2jdk s THR 12 CO 0.00 0.58 1.20 -0.13 -0.69 0.00 0.00 174.62 175.58 2jdk s ARG 13 N -0.46 4.50 0.04 4.92 0.52 -1.26 -0.79 118.95 126.43 2jdk s ARG 13 Ca 0.05 1.99 -0.00 0.00 -0.52 0.00 0.00 55.73 57.25 2jdk s ARG 13 Cb -0.12 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 2jdk s ARG 13 CO 0.02 0.01 -0.03 -0.59 0.02 0.00 0.00 175.30 174.72 2jdk s PHE 14 N -1.04 0.48 0.07 -0.53 -0.71 0.30 -4.21 117.98 112.35 2jdk s PHE 14 Ca 0.47 -0.88 -0.11 0.00 -1.04 0.00 0.00 56.93 55.37 2jdk s PHE 14 Cb -0.35 -0.34 -0.06 0.00 -1.21 0.00 0.00 43.02 41.06 2jdk s PHE 14 CO 0.46 -0.30 0.42 0.20 -1.34 0.00 0.00 175.22 174.66 2jdk s GLY 15 N -2.45 2.38 -0.04 1.99 0.00 -0.29 -1.24 107.32 107.67 2jdk s GLY 15 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.42 2jdk s GLY 15 CO -0.07 -0.06 -0.05 0.54 0.00 0.00 0.00 173.10 173.46 2jdk s VAL 16 N -1.35 0.57 -0.01 1.40 0.11 -0.31 -1.27 120.40 119.55 2jdk s VAL 16 Ca 0.32 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2jdk s VAL 16 Cb -0.15 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 2jdk s VAL 16 CO 0.17 0.23 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.28 2jdk s THR 17 N 0.80 0.09 0.04 5.04 2.01 -0.38 -1.02 115.64 122.23 2jdk s THR 17 Ca -0.11 0.03 0.08 0.00 0.31 0.00 0.00 61.69 61.99 2jdk s THR 17 Cb -0.14 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 2jdk s THR 17 CO 0.01 0.07 -0.22 0.00 -0.69 0.00 0.00 174.62 173.78 2jdk s ALA 18 N 0.41 1.88 0.01 7.40 0.00 -0.28 -0.85 121.76 130.34 2jdk s ALA 18 Ca -0.04 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.87 2jdk s ALA 18 Cb -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2jdk s ALA 18 CO -0.01 0.43 -0.19 -0.06 0.00 0.00 0.00 175.76 175.93 2jdk s PHE 19 N -0.80 1.65 -0.05 0.00 0.40 0.25 -1.34 117.98 118.08 2jdk s PHE 19 Ca 0.09 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 2jdk s PHE 19 Cb -0.09 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 2jdk s PHE 19 CO 0.02 0.01 -0.15 0.00 0.70 0.00 0.00 175.22 175.80 2jdk s ALA 20 N -0.57 2.63 -0.44 5.36 0.00 -0.61 -0.84 121.76 127.30 2jdk s ALA 20 Ca 0.07 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2jdk s ALA 20 Cb -0.08 -0.94 0.22 0.00 0.00 0.00 0.00 23.12 22.32 2jdk s ALA 20 CO 0.00 0.55 0.59 0.09 0.00 0.00 0.00 175.76 176.99 2jdk n ASN 21 N 2.34 -1.24 -3.54 0.00 3.02 -0.25 -1.52 115.26 114.07 2jdk n ASN 21 Ca -0.17 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.50 2jdk n ASN 21 Cb 0.52 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 2jdk n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jdk s SER 22 N -0.70 -0.36 0.51 6.41 0.15 0.46 -4.09 113.70 116.08 2jdk s SER 22 Ca 0.33 0.17 0.30 0.00 0.70 0.00 0.00 55.95 57.45 2jdk s SER 22 Cb 0.13 0.34 1.10 0.00 -1.71 0.00 0.00 66.02 65.88 2jdk s SER 22 CO -0.16 -0.48 1.89 0.77 1.20 0.00 0.00 173.24 176.46 2jdk h SER 23 N 2.24 0.00 -3.67 5.45 4.64 -1.97 -3.32 113.55 116.92 2jdk h SER 23 Ca -0.20 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.62 2jdk h SER 23 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2jdk h SER 23 CO 0.31 0.06 0.18 -0.83 -0.87 0.00 0.00 176.83 175.68 2jdk s GLY 24 N -4.21 2.68 -0.01 -0.77 0.00 -1.26 -4.95 107.32 98.79 2jdk s GLY 24 Ca 0.02 0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 2jdk s GLY 24 CO 0.59 0.67 1.39 -1.59 0.00 0.00 0.00 173.10 174.16 2jdk s THR 25 N -1.54 3.77 0.15 0.90 2.01 -1.26 -4.75 115.64 114.91 2jdk s THR 25 Ca 0.45 1.14 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 2jdk s THR 25 Cb -0.17 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 2jdk s THR 25 CO 0.22 -0.01 0.53 -1.10 -0.69 0.00 0.00 174.62 173.57 2jdk s GLN 26 N 2.47 3.94 -0.11 4.92 -1.52 -0.02 -4.18 119.66 125.16 2jdk s GLN 26 Ca 0.63 0.43 0.00 0.00 -1.95 0.00 0.00 55.36 54.48 2jdk s GLN 26 Cb -0.31 -2.91 0.02 0.00 -0.22 0.00 0.00 33.01 29.60 2jdk s GLN 26 CO 0.26 0.47 -0.11 0.99 -0.25 0.00 0.00 175.29 176.65 2jdk s THR 27 N -1.49 1.24 -0.20 -0.19 2.01 -0.05 -2.32 115.64 114.64 2jdk s THR 27 Ca 0.38 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2jdk s THR 27 Cb -0.14 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2jdk s THR 27 CO 0.19 0.40 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.75 2jdk s VAL 28 N 1.41 3.15 -0.11 3.82 1.01 0.40 -0.87 120.40 129.21 2jdk s VAL 28 Ca 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2jdk s VAL 28 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2jdk s VAL 28 CO -0.06 0.46 0.03 0.21 0.00 0.00 0.00 175.10 175.73 2jdk s ASN 29 N 1.21 5.41 -0.19 3.32 2.47 0.13 -0.91 114.94 126.38 2jdk s ASN 29 Ca 0.02 0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.46 2jdk s ASN 29 Cb -0.14 -1.66 0.02 0.00 -1.45 0.00 0.00 41.25 38.02 2jdk s ASN 29 CO -0.03 0.33 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.82 2jdk s VAL 30 N -0.58 2.18 -0.15 -5.21 1.01 -0.00 -1.18 120.40 116.46 2jdk s VAL 30 Ca 0.10 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2jdk s VAL 30 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2jdk s VAL 30 CO 0.02 0.46 0.05 -0.76 0.00 0.00 0.00 175.10 174.87 2jdk s LEU 31 N 1.28 3.79 -0.15 3.92 1.02 0.59 -0.24 118.68 128.89 2jdk s LEU 31 Ca 0.03 0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.31 2jdk s LEU 31 Cb -0.14 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.14 2jdk s LEU 31 CO -0.11 0.24 -0.17 -0.69 0.02 0.00 0.00 176.35 175.63 2jdk s VAL 32 N -0.03 2.45 -1.51 -1.59 1.01 -0.09 -0.89 120.40 119.74 2jdk s VAL 32 Ca 0.06 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2jdk s VAL 32 Cb -0.12 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.30 2jdk s VAL 32 CO 0.01 0.53 0.61 -3.20 0.00 0.00 0.00 175.10 173.04 2jdk n ASN 33 N 4.11 -1.79 -0.44 3.32 5.15 -0.27 -1.64 115.26 123.71 2jdk n ASN 33 Ca -0.19 -0.98 -0.06 0.00 -0.60 0.00 0.00 54.58 52.75 2jdk n ASN 33 Cb 0.52 -3.09 -0.02 0.00 -0.53 0.00 0.00 39.78 36.65 2jdk n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jdk n ASN 34 N -2.87 -4.45 -4.20 1.20 3.02 -1.26 -5.01 115.26 101.69 2jdk n ASN 34 Ca -0.15 0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 2jdk n ASN 34 Cb 0.61 -2.45 -0.16 0.00 -0.61 0.00 0.00 39.78 37.17 2jdk n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jdk s GLU 35 N -2.03 1.60 0.12 3.52 0.41 -0.65 -5.05 118.70 116.62 2jdk s GLU 35 Ca 0.00 -0.71 -0.31 0.00 -0.41 0.00 0.00 54.97 53.54 2jdk s GLU 35 Cb 0.00 -1.55 -0.10 0.00 -1.78 0.00 0.00 34.13 30.70 2jdk s GLU 35 CO 0.00 0.43 1.74 0.99 -0.49 0.00 0.00 175.26 177.93 2jdk s THR 36 N -0.47 2.64 -0.03 3.63 2.01 -1.26 -0.91 115.64 121.26 2jdk s THR 36 Ca 0.08 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.35 2jdk s THR 36 Cb -0.08 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 2jdk s THR 36 CO -0.01 0.00 0.10 0.00 -0.69 0.00 0.00 174.62 174.02 2jdk n ALA 37 N 5.32 2.11 -3.33 7.40 0.00 0.67 -4.87 120.51 127.81 2jdk n ALA 37 Ca 0.17 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 2jdk n ALA 37 Cb 0.39 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 2jdk n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jdk s ALA 38 N -2.34 -1.19 -0.03 0.00 0.00 -1.04 -5.01 121.76 112.15 2jdk s ALA 38 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2jdk s ALA 38 Cb 0.03 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2jdk s ALA 38 CO 0.26 -0.34 0.00 0.99 0.00 0.00 0.00 175.76 176.67 2jdk s THR 39 N -1.50 0.18 0.17 0.00 2.01 -1.26 -0.82 115.64 114.43 2jdk s THR 39 Ca -0.11 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.08 2jdk s THR 39 Cb -0.03 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2jdk s THR 39 CO 0.05 0.15 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.54 2jdk s PHE 40 N 1.06 2.18 0.00 4.92 0.08 -0.08 -4.98 117.98 121.16 2jdk s PHE 40 Ca -0.09 -0.38 -0.24 0.00 0.12 0.00 0.00 56.93 56.34 2jdk s PHE 40 Cb -0.13 -1.11 0.05 0.00 -0.57 0.00 0.00 43.02 41.26 2jdk s PHE 40 CO -0.02 0.42 0.53 0.45 -0.10 0.00 0.00 175.22 176.50 2jdk s SER 41 N -2.50 -0.45 0.00 1.36 0.15 -1.26 -0.45 113.70 110.55 2jdk s SER 41 Ca 0.18 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2jdk s SER 41 Cb -0.08 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2jdk s SER 41 CO 0.08 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2jdk n GLY 42 N 0.76 -1.38 2.82 9.45 0.00 -0.98 -4.86 105.19 111.01 2jdk n GLY 42 Ca -0.19 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.64 2jdk n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdk s GLN 43 N -1.55 0.15 -0.07 1.61 -0.44 -1.26 -0.84 119.66 117.27 2jdk s GLN 43 Ca 0.00 0.39 -0.17 0.00 -2.50 0.00 0.00 55.36 53.08 2jdk s GLN 43 Cb 0.00 -0.78 0.04 0.00 -1.64 0.00 0.00 33.01 30.62 2jdk s GLN 43 CO 0.00 -0.51 0.40 0.45 0.50 0.00 0.00 175.29 176.13 2jdk s SER 44 N 2.34 -0.34 -0.24 6.67 0.15 -1.25 -5.02 113.70 116.01 2jdk s SER 44 Ca 0.05 0.44 0.13 0.00 0.70 0.00 0.00 55.95 57.28 2jdk s SER 44 Cb -0.14 0.54 0.57 0.00 -1.71 0.00 0.00 66.02 65.28 2jdk s SER 44 CO -0.10 -0.36 1.52 0.35 1.20 0.00 0.00 173.24 175.84 2jdk n THR 45 N 1.79 2.50 -2.65 6.45 -2.24 -1.26 -0.40 114.28 118.46 2jdk n THR 45 Ca -0.18 -2.05 0.01 0.00 -2.27 0.00 0.00 64.05 59.56 2jdk n THR 45 Cb 0.56 -0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 2jdk n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jdk n ASN 46 N -0.60 1.08 -1.20 3.42 5.15 -1.26 -4.86 115.26 117.00 2jdk n ASN 46 Ca 0.29 -2.02 -0.11 0.00 -0.60 0.00 0.00 54.58 52.13 2jdk n ASN 46 Cb 1.04 -0.32 -0.01 0.00 -0.53 0.00 0.00 39.78 39.96 2jdk n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2jdk n ASN 47 N -0.16 -3.77 -4.69 1.20 5.15 -0.57 -4.95 115.26 107.47 2jdk n ASN 47 Ca 0.04 0.04 -0.40 0.00 -0.60 0.00 0.00 54.58 53.66 2jdk n ASN 47 Cb 0.95 -2.86 0.02 0.00 -0.53 0.00 0.00 39.78 37.35 2jdk n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jdk n ALA 48 N -1.02 1.18 -2.85 5.20 0.00 -1.22 -4.51 120.51 117.28 2jdk n ALA 48 Ca -0.13 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2jdk n ALA 48 Cb 0.56 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 2jdk n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jdk s VAL 49 N -1.24 4.67 -0.14 0.00 1.01 -1.26 -1.57 120.40 121.87 2jdk s VAL 49 Ca 0.63 -1.87 0.30 0.00 0.00 0.00 0.00 61.98 61.04 2jdk s VAL 49 Cb -0.49 -4.90 0.34 0.00 0.00 0.00 0.00 36.38 31.33 2jdk s VAL 49 CO 0.56 -1.65 1.87 0.16 0.00 0.00 0.00 175.10 176.04 2jdk h ILE 50 N 5.53 0.00 -2.05 2.22 3.07 -1.55 -3.44 117.51 121.28 2jdk h ILE 50 Ca 0.25 -0.47 0.06 0.00 1.55 0.00 0.00 64.86 66.25 2jdk h ILE 50 Cb 0.96 1.39 -0.18 0.00 -0.27 0.00 0.00 36.82 38.71 2jdk h ILE 50 CO 1.23 0.00 0.44 -0.83 -1.05 0.00 0.00 178.15 177.94 2jdk s GLY 51 N -3.98 -0.43 -0.17 0.16 0.00 -1.22 -4.34 107.32 97.34 2jdk s GLY 51 Ca 0.03 1.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.96 2jdk s GLY 51 CO 0.51 0.65 0.46 -1.08 0.00 0.00 0.00 173.10 173.65 2jdk s THR 52 N -2.19 -0.00 0.05 0.90 -1.32 -1.26 -1.12 115.64 110.69 2jdk s THR 52 Ca -0.00 0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.28 2jdk s THR 52 Cb -0.01 -0.65 0.05 0.00 -1.51 0.00 0.00 72.50 70.38 2jdk s THR 52 CO -0.03 0.00 0.48 -1.58 -2.21 0.00 0.00 174.62 171.29 2jdk s GLN 53 N 0.35 1.00 -0.19 7.08 0.74 -0.19 -5.00 119.66 123.46 2jdk s GLN 53 Ca -0.01 -0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.04 2jdk s GLN 53 Cb -0.04 0.45 -0.04 0.00 1.10 0.00 0.00 33.01 34.49 2jdk s GLN 53 CO -0.01 -0.36 0.04 0.08 -0.55 0.00 0.00 175.29 174.50 2jdk s VAL 54 N -2.52 4.51 0.25 1.34 1.01 -1.26 -1.16 120.40 122.58 2jdk s VAL 54 Ca -0.05 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.87 2jdk s VAL 54 Cb -0.01 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2jdk s VAL 54 CO -0.02 0.44 -0.08 -0.76 0.00 0.00 0.00 175.10 174.68 2jdk s LEU 55 N 0.61 2.48 -0.15 3.92 1.43 -0.37 -4.96 118.68 121.64 2jdk s LEU 55 Ca 0.02 -1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 51.93 2jdk s LEU 55 Cb -0.13 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 2jdk s LEU 55 CO 0.02 -0.30 0.04 0.21 0.23 0.00 0.00 176.35 176.54 2jdk s ASN 56 N -3.40 5.45 0.12 2.29 3.84 -1.26 -0.54 114.94 121.45 2jdk s ASN 56 Ca 0.27 0.10 0.17 0.00 0.21 0.00 0.00 52.86 53.61 2jdk s ASN 56 Cb 0.02 -1.82 0.75 0.00 -0.55 0.00 0.00 41.25 39.65 2jdk s ASN 56 CO 0.10 0.25 1.54 -1.54 -2.79 0.00 0.00 177.10 174.65 2jdk n SER 57 N 3.04 0.30 -0.60 -4.21 3.41 0.03 -4.90 113.62 110.70 2jdk n SER 57 Ca -0.18 0.58 0.03 0.00 -0.26 0.00 0.00 58.87 59.05 2jdk n SER 57 Cb 0.53 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2jdk n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdk n GLY 58 N -0.20 -1.66 0.21 5.00 0.00 -1.26 -2.45 105.19 104.83 2jdk n GLY 58 Ca 0.02 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.84 2jdk n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jdk h SER 59 N -0.21 0.04 0.31 1.61 4.64 -1.94 0.21 113.55 118.21 2jdk h SER 59 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jdk h SER 59 Cb 0.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2jdk h SER 59 CO 0.00 0.32 -1.32 -1.54 -0.87 0.00 0.00 176.83 173.42 2jdk n SER 60 N -4.20 0.50 0.00 4.97 3.41 -1.26 -4.69 113.62 112.35 2jdk n SER 60 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2jdk n SER 60 Cb 0.33 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 2jdk n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jdk n GLY 61 N 1.33 0.56 3.69 5.00 0.00 -1.01 -4.82 105.19 109.94 2jdk n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jdk n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdk s LYS 62 N -0.45 4.41 -0.05 1.61 2.20 -1.26 -0.49 119.74 125.72 2jdk s LYS 62 Ca 0.00 1.31 0.03 0.00 -0.36 0.00 0.00 55.97 56.96 2jdk s LYS 62 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2jdk s LYS 62 CO 0.00 -0.28 -0.15 0.08 -0.36 0.00 0.00 175.35 174.64 2jdk s VAL 63 N 1.92 1.25 -0.02 4.02 1.01 -0.42 -1.11 120.40 127.04 2jdk s VAL 63 Ca 0.46 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2jdk s VAL 63 Cb -0.18 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 2jdk s VAL 63 CO 0.18 0.37 -0.10 -1.58 0.00 0.00 0.00 175.10 173.96 2jdk s GLN 64 N 0.21 1.01 -0.12 2.72 0.74 -0.07 -0.76 119.66 123.38 2jdk s GLN 64 Ca -0.06 -0.37 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 2jdk s GLN 64 Cb -0.12 -0.94 -0.03 0.00 1.10 0.00 0.00 33.01 33.02 2jdk s GLN 64 CO 0.02 0.17 -0.06 0.08 -0.55 0.00 0.00 175.29 174.95 2jdk s VAL 65 N 0.01 3.69 0.08 1.34 1.01 0.35 -0.30 120.40 126.57 2jdk s VAL 65 Ca -0.00 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.60 2jdk s VAL 65 Cb -0.07 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2jdk s VAL 65 CO 0.00 0.53 -0.20 -1.10 0.00 0.00 0.00 175.10 174.34 2jdk s GLN 66 N 0.01 1.12 -0.02 2.72 -0.21 -0.33 -4.74 119.66 118.22 2jdk s GLN 66 Ca -0.01 -1.07 0.02 0.00 0.02 0.00 0.00 55.36 54.33 2jdk s GLN 66 Cb -0.14 -1.31 0.00 0.00 1.00 0.00 0.00 33.01 32.56 2jdk s GLN 66 CO 0.03 0.31 -0.08 0.08 -2.12 0.00 0.00 175.29 173.51 2jdk s VAL 67 N -1.09 0.71 0.05 1.09 1.01 -1.26 -0.70 120.40 120.22 2jdk s VAL 67 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2jdk s VAL 67 Cb -0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2jdk s VAL 67 CO 0.03 0.22 -0.02 -0.94 0.00 0.00 0.00 175.10 174.39 2jdk s SER 68 N 0.06 0.46 -0.08 3.32 1.04 -0.05 -0.62 113.70 117.84 2jdk s SER 68 Ca -0.01 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.45 2jdk s SER 68 Cb -0.07 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.28 2jdk s SER 68 CO 0.00 -0.59 0.00 -0.69 0.98 0.00 0.00 173.24 172.95 2jdk s VAL 69 N -3.78 0.39 -1.53 5.02 1.01 -0.37 -0.87 120.40 120.27 2jdk s VAL 69 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2jdk s VAL 69 Cb 0.07 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.91 2jdk s VAL 69 CO -0.10 0.23 0.27 -0.46 0.00 0.00 0.00 175.10 175.05 2jdk n ASN 70 N 5.14 -0.06 0.00 3.32 0.23 -1.26 -1.01 115.26 121.62 2jdk n ASN 70 Ca -0.07 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 2jdk n ASN 70 Cb 0.50 -2.27 0.00 0.00 -2.08 0.00 0.00 39.78 35.93 2jdk n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jdk n GLY 71 N -2.16 1.76 3.64 4.83 0.00 -1.26 -5.02 105.19 106.98 2jdk n GLY 71 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2jdk n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdk s ARG 72 N -0.14 4.02 0.25 1.61 0.52 -0.18 -5.05 118.95 119.98 2jdk s ARG 72 Ca 0.00 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 2jdk s ARG 72 Cb 0.00 -3.41 -0.10 0.00 0.52 0.00 0.00 34.95 31.96 2jdk s ARG 72 CO 0.00 0.13 1.50 -2.14 0.02 0.00 0.00 175.30 174.81 2jdk s PRO 73 N 0.81 4.22 0.50 3.54 0.02 -1.26 -1.24 135.00 141.58 2jdk s PRO 73 Ca 0.06 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.30 2jdk s PRO 73 Cb -0.13 -3.09 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 2jdk s PRO 73 CO 0.02 -0.50 0.96 -1.12 -0.33 0.00 0.00 177.00 176.03 2jdk s SER 74 N 0.50 6.65 0.15 2.53 0.01 0.21 -4.91 113.70 118.84 2jdk s SER 74 Ca 0.62 1.55 -0.30 0.00 1.31 0.00 0.00 55.95 59.12 2jdk s SER 74 Cb -0.44 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.23 2jdk s SER 74 CO 0.43 -0.54 1.07 -0.62 0.41 0.00 0.00 173.24 173.99 2jdk s ASP 75 N -2.97 7.31 0.11 2.44 2.15 -0.76 -4.78 116.67 120.18 2jdk s ASP 75 Ca 0.59 2.00 0.05 0.00 0.43 0.00 0.00 52.55 55.62 2jdk s ASP 75 Cb -0.10 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 2jdk s ASP 75 CO 0.29 -0.20 -0.00 -0.76 -0.17 0.00 0.00 175.17 174.33 2jdk s LEU 76 N -0.11 3.42 0.05 -1.34 1.43 -1.26 -1.17 118.68 119.70 2jdk s LEU 76 Ca 0.50 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2jdk s LEU 76 Cb -0.28 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2jdk s LEU 76 CO 0.33 0.15 -0.13 0.68 0.23 0.00 0.00 176.35 177.62 2jdk s VAL 77 N -1.40 0.98 0.20 -1.59 -7.23 -0.47 -4.85 120.40 106.03 2jdk s VAL 77 Ca 0.26 -1.11 -0.20 0.00 -1.81 0.00 0.00 61.98 59.12 2jdk s VAL 77 Cb -0.11 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 35.93 2jdk s VAL 77 CO 0.18 -0.16 0.58 -0.94 -0.31 0.00 0.00 175.10 174.45 2jdk s SER 78 N -1.44 -0.37 0.12 4.85 1.04 -1.26 -0.67 113.70 115.97 2jdk s SER 78 Ca -0.02 -0.33 -0.26 0.00 0.48 0.00 0.00 55.95 55.83 2jdk s SER 78 Cb -0.09 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.71 2jdk s SER 78 CO 0.01 -1.07 0.86 0.00 0.98 0.00 0.00 173.24 174.02 2jdk s ALA 79 N -3.84 -1.65 -0.03 5.32 0.00 -0.80 -4.92 121.76 115.85 2jdk s ALA 79 Ca 0.06 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.52 2jdk s ALA 79 Cb -0.02 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 2jdk s ALA 79 CO -0.05 -0.89 -0.25 -1.14 0.00 0.00 0.00 175.76 173.43 2jdk s GLN 80 N -3.37 2.14 0.01 0.00 0.74 -1.26 -0.74 119.66 117.19 2jdk s GLN 80 Ca 0.08 -0.91 0.07 0.00 0.05 0.00 0.00 55.36 54.65 2jdk s GLN 80 Cb -0.02 -2.02 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 2jdk s GLN 80 CO -0.03 0.52 -0.21 0.08 -0.55 0.00 0.00 175.29 175.10 2jdk s VAL 81 N -0.53 1.69 -0.09 1.34 1.01 0.23 -5.00 120.40 119.04 2jdk s VAL 81 Ca 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2jdk s VAL 81 Cb -0.10 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2jdk s VAL 81 CO -0.00 0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 174.73 2jdk s ILE 82 N -0.62 1.15 -0.06 2.22 1.01 -1.26 -1.03 121.20 122.61 2jdk s ILE 82 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2jdk s ILE 82 Cb -0.08 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2jdk s ILE 82 CO 0.00 0.37 0.03 -0.76 0.00 0.00 0.00 174.94 174.59 2jdk s LEU 83 N 1.18 3.70 -1.47 2.97 1.43 0.17 -4.54 118.68 122.12 2jdk s LEU 83 Ca -0.05 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 2jdk s LEU 83 Cb -0.14 -1.96 0.16 0.00 0.03 0.00 0.00 46.19 44.29 2jdk s LEU 83 CO -0.03 0.35 0.53 1.07 0.23 0.00 0.00 176.35 178.50 2jdk n THR 84 N 1.83 -0.34 -1.38 5.49 5.66 -1.26 -1.10 114.28 123.17 2jdk n THR 84 Ca -0.17 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.70 2jdk n THR 84 Cb 0.53 -0.85 -0.06 0.00 -1.55 0.00 0.00 70.33 68.41 2jdk n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jdk n ASN 85 N -2.32 -5.46 0.00 1.09 5.15 -1.26 -4.67 115.26 107.78 2jdk n ASN 85 Ca 0.07 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2jdk n ASN 85 Cb 0.48 -4.11 0.00 0.00 -0.53 0.00 0.00 39.78 35.62 2jdk n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jdk n GLU 86 N -1.43 0.00 -3.44 1.20 4.07 -0.26 -5.10 120.64 115.69 2jdk n GLU 86 Ca -0.13 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.59 2jdk n GLU 86 Cb 0.58 -0.07 -0.09 0.00 -0.06 0.00 0.00 31.44 31.80 2jdk n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2jdk s LEU 87 N -5.12 4.07 -0.05 4.31 2.96 -0.26 -4.51 118.68 120.08 2jdk s LEU 87 Ca 0.00 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 2jdk s LEU 87 Cb 0.00 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 2jdk s LEU 87 CO 0.00 -0.12 -0.14 0.20 -1.32 0.00 0.00 176.35 174.97 2jdk s ASN 88 N 1.43 4.02 -0.07 3.68 -0.87 -0.19 -0.65 114.94 122.28 2jdk s ASN 88 Ca 0.14 -0.20 0.01 0.00 -1.57 0.00 0.00 52.86 51.24 2jdk s ASN 88 Cb -0.15 -0.86 0.02 0.00 -0.02 0.00 0.00 41.25 40.24 2jdk s ASN 88 CO 0.09 0.34 -0.09 -0.36 -2.57 0.00 0.00 177.10 174.51 2jdk s PHE 89 N -0.71 1.32 -0.20 2.20 0.40 -0.20 -2.09 117.98 118.70 2jdk s PHE 89 Ca 0.11 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 2jdk s PHE 89 Cb -0.11 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 2jdk s PHE 89 CO 0.01 -0.33 -0.00 0.00 0.70 0.00 0.00 175.22 175.60 2jdk s ALA 90 N 1.02 3.02 -0.04 5.36 0.00 0.20 -0.60 121.76 130.71 2jdk s ALA 90 Ca -0.08 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 50.95 2jdk s ALA 90 Cb -0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2jdk s ALA 90 CO -0.00 -0.16 -0.25 -0.51 0.00 0.00 0.00 175.76 174.84 2jdk s LEU 91 N 1.02 2.10 -0.03 0.00 1.43 0.08 -0.57 118.68 122.71 2jdk s LEU 91 Ca 0.02 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2jdk s LEU 91 Cb -0.14 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2jdk s LEU 91 CO 0.02 0.28 -0.06 -0.69 0.23 0.00 0.00 176.35 176.13 2jdk s VAL 92 N -0.38 0.57 0.33 -1.59 1.01 0.02 -1.91 120.40 118.45 2jdk s VAL 92 Ca 0.03 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2jdk s VAL 92 Cb -0.12 -0.54 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 2jdk s VAL 92 CO 0.01 0.20 -0.04 -0.83 0.00 0.00 0.00 175.10 174.44 2jdk s GLY 93 N 0.37 2.06 -0.04 4.51 0.00 0.16 -0.96 107.32 113.42 2jdk s GLY 93 Ca -0.05 -1.97 -0.21 0.00 0.00 0.00 0.00 44.72 42.49 2jdk s GLY 93 CO 0.00 -1.94 0.46 -1.35 0.00 0.00 0.00 173.10 170.28 2jdk s SER 94 N -3.66 -0.40 -0.12 1.64 1.04 -1.05 -1.37 113.70 109.79 2jdk s SER 94 Ca 0.33 0.41 0.01 0.00 0.48 0.00 0.00 55.95 57.18 2jdk s SER 94 Cb -0.00 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2jdk s SER 94 CO 0.18 -0.48 -0.14 -0.70 0.98 0.00 0.00 173.24 173.08 2jdk s GLU 95 N -1.12 2.10 0.00 4.02 2.56 -0.31 -1.71 118.70 124.23 2jdk s GLU 95 Ca -0.11 -0.50 0.21 0.00 0.00 0.00 0.00 54.97 54.56 2jdk s GLU 95 Cb -0.03 -1.86 0.15 0.00 2.00 0.00 0.00 34.13 34.39 2jdk s GLU 95 CO 0.06 -0.13 1.15 -0.40 -0.56 0.00 0.00 175.26 175.38 2jdk n ASP 96 N 4.43 2.67 0.00 -1.70 5.68 -1.26 -1.82 116.55 124.55 2jdk n ASP 96 Ca -0.18 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 2jdk n ASP 96 Cb 0.51 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2jdk n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jdk n GLY 97 N 1.19 4.53 0.00 6.12 0.00 -1.26 -5.05 105.19 110.73 2jdk n GLY 97 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2jdk n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jdk n THR 98 N 0.00 0.00 0.62 2.61 -2.24 -1.26 -4.70 114.28 109.31 2jdk n THR 98 Ca 0.00 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.41 2jdk n THR 98 Cb 0.00 1.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.63 2jdk n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jdk n ASP 99 N -0.98 0.82 -3.17 3.42 5.75 -1.26 -4.94 116.55 116.19 2jdk n ASP 99 Ca 0.00 0.58 -0.23 0.00 -0.01 0.00 0.00 54.79 55.13 2jdk n ASP 99 Cb 0.00 -0.80 0.04 0.00 -1.03 0.00 0.00 41.12 39.33 2jdk n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jdk n ASN 100 N -2.27 -6.01 0.17 -1.12 3.02 -1.26 -4.89 115.26 102.90 2jdk n ASN 100 Ca 0.06 -0.35 0.12 0.00 -0.03 0.00 0.00 54.58 54.38 2jdk n ASN 100 Cb 0.43 -4.83 0.24 0.00 -0.61 0.00 0.00 39.78 35.01 2jdk n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2jdk h ASP 101 N -1.61 0.00 -3.92 6.41 2.03 -1.93 -3.48 116.42 113.92 2jdk h ASP 101 Ca -0.53 -0.01 -0.29 0.00 -0.73 0.00 0.00 57.03 55.47 2jdk h ASP 101 Cb 1.36 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.85 2jdk h ASP 101 CO 0.57 0.00 -0.38 -1.22 -1.03 0.00 0.00 179.24 177.18 2jdk n TYR 102 N -2.75 -1.43 -0.25 4.15 4.02 -1.26 -4.83 117.16 114.82 2jdk n TYR 102 Ca 0.04 0.07 0.02 0.00 -0.01 0.00 0.00 57.90 58.03 2jdk n TYR 102 Cb 0.49 -3.01 0.04 0.00 -0.02 0.00 0.00 39.34 36.84 2jdk n TYR 102 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2jdk n ASN 103 N -1.91 2.13 -0.14 7.72 6.94 -1.16 -2.63 115.26 126.21 2jdk n ASN 103 Ca -0.14 -2.25 -0.12 0.00 -0.02 0.00 0.00 54.58 52.05 2jdk n ASN 103 Cb 0.61 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2jdk n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jdk h ASP 104 N 0.10 1.00 -3.47 0.53 3.32 -1.48 -3.23 116.42 113.19 2jdk h ASP 104 Ca 0.00 -0.40 -0.51 0.00 0.02 0.00 0.00 57.03 56.13 2jdk h ASP 104 Cb 0.63 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 39.57 2jdk h ASP 104 CO 0.00 1.20 -0.82 0.00 -1.72 0.00 0.00 179.24 177.90 2jdk s ALA 105 N -4.59 1.27 -0.12 3.45 0.00 -1.26 -1.09 121.76 119.42 2jdk s ALA 105 Ca -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2jdk s ALA 105 Cb 0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2jdk s ALA 105 CO 0.87 0.13 -0.13 0.08 0.00 0.00 0.00 175.76 176.72 2jdk s VAL 106 N 0.59 3.11 -0.07 0.00 1.01 -0.02 -2.54 120.40 122.48 2jdk s VAL 106 Ca -0.13 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2jdk s VAL 106 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2jdk s VAL 106 CO 0.04 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 174.81 2jdk s VAL 107 N 0.16 1.51 -0.11 2.92 1.01 -0.13 -0.58 120.40 125.17 2jdk s VAL 107 Ca -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2jdk s VAL 107 Cb -0.15 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2jdk s VAL 107 CO 0.05 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.68 2jdk s VAL 108 N 0.37 1.94 -0.13 2.92 1.01 -0.03 -0.80 120.40 125.69 2jdk s VAL 108 Ca -0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 2jdk s VAL 108 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2jdk s VAL 108 CO 0.05 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 2jdk s ILE 109 N 0.62 3.59 0.02 2.22 1.01 0.26 -1.25 121.20 127.67 2jdk s ILE 109 Ca -0.13 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.07 2jdk s ILE 109 Cb -0.17 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2jdk s ILE 109 CO 0.03 0.53 -0.09 0.54 0.00 0.00 0.00 174.94 175.95 2jdk s ASN 110 N 0.08 0.98 0.21 3.58 4.22 -0.40 -0.63 114.94 122.98 2jdk s ASN 110 Ca -0.02 -0.32 -0.22 0.00 -2.14 0.00 0.00 52.86 50.15 2jdk s ASN 110 Cb -0.14 -0.05 0.05 0.00 1.28 0.00 0.00 41.25 42.39 2jdk s ASN 110 CO 0.03 -0.02 0.65 -1.66 -2.04 0.00 0.00 177.10 174.07 2jdk s TRP 111 N -0.67 -0.39 0.87 1.54 -2.14 -0.89 -1.14 118.94 116.11 2jdk s TRP 111 Ca -0.01 0.09 -0.11 0.00 2.66 0.00 0.00 56.10 58.72 2jdk s TRP 111 Cb -0.06 0.62 0.11 0.00 -3.10 0.00 0.00 33.47 31.04 2jdk s TRP 111 CO 0.00 -1.00 1.09 -1.25 -2.66 0.00 0.00 176.95 173.13 2jdk s PRO 112 N -3.80 1.48 0.50 3.25 0.04 -1.26 -1.02 135.00 134.18 2jdk s PRO 112 Ca 0.05 0.88 0.08 0.00 0.04 0.00 0.00 61.00 62.05 2jdk s PRO 112 Cb -0.03 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2jdk s PRO 112 CO -0.05 -2.11 0.57 -0.51 0.04 0.00 0.00 177.00 174.95 2jdk s LEU 113 N -6.15 3.18 0.00 -3.56 1.43 -1.26 -4.99 118.68 107.33 2jdk s LEU 113 Ca 0.63 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2jdk s LEU 113 Cb -0.18 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2jdk s LEU 113 CO 0.57 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.73