#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4n s MET 2 N 0.00 -1.82 -0.12 0.00 1.00 -1.14 -4.34 119.30 112.89 2j4n s MET 2 Ca 0.00 -0.14 0.20 0.00 0.00 0.00 0.00 55.69 55.75 2j4n s MET 2 Cb 0.00 -1.53 0.40 0.00 0.00 0.00 0.00 34.83 33.69 2j4n s MET 2 CO 0.00 -4.09 1.16 0.00 0.00 0.00 0.00 175.02 172.09 2j4n n ALA 3 N -5.02 2.67 -1.11 3.03 0.00 0.64 -4.79 120.51 115.93 2j4n n ALA 3 Ca 0.15 -2.12 -0.17 0.00 0.00 0.00 0.00 53.44 51.29 2j4n n ALA 3 Cb 0.60 -0.74 -0.16 0.00 0.00 0.00 0.00 19.45 19.15 2j4n n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j4n h TRP 5 N 8.17 0.00 0.00 0.00 5.08 -1.96 0.69 115.95 127.92 2j4n h TRP 5 Ca 0.02 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.88 2j4n h TRP 5 Cb 0.84 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.99 2j4n h TRP 5 CO 1.01 0.00 -0.54 0.00 -1.28 0.00 0.00 178.44 177.63 2j4n h ALA 6 N 1.40 0.70 0.00 0.11 0.00 -1.88 -3.19 119.26 116.39 2j4n h ALA 6 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2j4n h ALA 6 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2j4n h ALA 6 CO -0.00 0.68 -0.03 -0.56 0.00 0.00 0.00 179.25 179.34 2j4n h GLN 7 N 0.00 0.00 -0.39 0.00 3.07 0.43 -1.85 115.11 116.37 2j4n h GLN 7 Ca -0.01 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2j4n h GLN 7 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.88 2j4n h GLN 7 CO 0.07 0.03 0.33 1.03 0.09 0.00 0.00 178.83 180.37 2j4n h SER 8 N 0.00 0.00 0.00 0.06 0.87 -1.64 -2.20 113.55 110.64 2j4n h SER 8 Ca -0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2j4n h SER 8 Cb 0.10 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 2j4n h SER 8 CO 0.00 0.00 -2.24 0.00 -0.53 0.00 0.00 176.83 174.07 2j4n n GLN 9 N -4.10 0.96 0.00 2.24 3.00 -0.74 -5.01 117.38 113.73 2j4n n GLN 9 Ca 0.06 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2j4n n GLN 9 Cb 0.51 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.29 2j4n n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2j4n n GLY 10 N 2.04 0.56 2.58 1.08 0.00 -0.83 -5.15 105.19 105.48 2j4n n GLY 10 Ca -0.32 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2j4n n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j4n n TYR 11 N 0.00 -3.64 -4.56 1.61 4.01 -0.95 -4.85 117.16 108.78 2j4n n TYR 11 Ca 0.00 -0.73 -0.23 0.00 -0.16 0.00 0.00 57.90 56.79 2j4n n TYR 11 Cb 0.00 -0.85 -0.16 0.00 -0.31 0.00 0.00 39.34 38.02 2j4n n TYR 11 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2j4n s ASN 12 N -3.63 1.59 0.78 7.72 2.47 -1.26 -3.25 114.94 119.36 2j4n s ASN 12 Ca 0.52 -0.25 -0.15 0.00 0.42 0.00 0.00 52.86 53.40 2j4n s ASN 12 Cb -0.05 -0.46 -0.01 0.00 -1.45 0.00 0.00 41.25 39.28 2j4n s ASN 12 CO 0.40 0.09 0.60 0.00 -3.72 0.00 0.00 177.10 174.48 2j4n n ASN 15 N 7.57 1.99 -0.72 0.00 5.15 -1.26 -1.62 115.26 126.36 2j4n n ASN 15 Ca 0.18 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2j4n n ASN 15 Cb 0.49 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 2j4n n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2j4n n ASN 16 N 11.23 -0.98 0.26 1.20 3.02 -1.26 -4.99 115.26 123.74 2j4n n ASN 16 Ca 0.43 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 55.16 2j4n n ASN 16 Cb 0.28 -0.25 0.79 0.00 -0.61 0.00 0.00 39.78 39.99 2j4n n ASN 16 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2j4n h PRO 17 N 0.00 0.00 0.00 3.52 0.13 -1.60 -2.44 132.00 131.62 2j4n h PRO 17 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2j4n h PRO 17 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2j4n h PRO 17 CO 0.00 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.22 2j4n n SER 18 N -2.89 0.00 -1.21 1.44 2.88 -1.26 -3.16 113.62 109.41 2j4n n SER 18 Ca -0.00 -0.23 0.01 0.00 -1.33 0.00 0.00 58.87 57.32 2j4n n SER 18 Cb 0.21 -0.19 -0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2j4n n SER 18 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2j4n n SER 19 N -1.19 0.43 -4.45 -3.46 2.88 -0.93 -5.07 113.62 101.83 2j4n n SER 19 Ca 0.12 -1.95 -0.37 0.00 -1.33 0.00 0.00 58.87 55.34 2j4n n SER 19 Cb 0.14 -0.16 -0.12 0.00 -0.75 0.00 0.00 64.21 63.31 2j4n n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2j4n s THR 20 N 0.00 4.41 -0.25 2.46 2.01 -1.17 -5.05 115.64 118.05 2j4n s THR 20 Ca 0.21 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2j4n s THR 20 Cb 0.24 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 2j4n s THR 20 CO -0.10 0.28 1.74 -0.75 -0.69 0.00 0.00 174.62 175.09 2j4n s LYS 21 N 1.62 3.60 -0.73 4.92 2.47 -1.26 -4.93 119.74 125.43 2j4n s LYS 21 Ca 0.06 1.65 -0.20 0.00 -1.56 0.00 0.00 55.97 55.92 2j4n s LYS 21 Cb -0.16 -4.12 0.10 0.00 -1.46 0.00 0.00 37.83 32.19 2j4n s LYS 21 CO 0.05 -1.53 0.95 0.08 0.16 0.00 0.00 175.35 175.06 2j4n s VAL 22 N 5.98 4.58 -2.36 4.02 1.01 -1.26 -4.24 120.40 128.13 2j4n s VAL 22 Ca 0.77 -0.92 0.29 0.00 0.00 0.00 0.00 61.98 62.13 2j4n s VAL 22 Cb -0.25 -4.67 0.65 0.00 0.00 0.00 0.00 36.38 32.11 2j4n s VAL 22 CO 0.32 -1.39 1.88 -1.84 0.00 0.00 0.00 175.10 174.07 2j4n n GLU 23 N 6.98 1.47 -4.08 2.72 0.28 -1.15 -4.86 120.64 122.01 2j4n n GLU 23 Ca 0.04 -0.69 -0.12 0.00 -0.16 0.00 0.00 57.16 56.23 2j4n n GLU 23 Cb 0.46 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.73 2j4n n GLU 23 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2j4n s TYR 24 N -2.00 0.67 -0.30 -1.84 5.04 -1.11 -5.05 117.35 112.77 2j4n s TYR 24 Ca 0.41 -0.60 -0.03 0.00 -2.44 0.00 0.00 57.07 54.41 2j4n s TYR 24 Cb 0.21 -0.41 0.19 0.00 0.35 0.00 0.00 41.96 42.31 2j4n s TYR 24 CO 0.34 -0.12 0.75 0.99 -1.34 0.00 0.00 175.55 176.18 2j4n s THR 25 N -1.90 -0.76 0.00 4.34 2.01 -1.26 -2.44 115.64 115.63 2j4n s THR 25 Ca -0.06 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2j4n s THR 25 Cb -0.06 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2j4n s THR 25 CO -0.01 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.25 2j4n n ASP 26 N 5.40 1.20 -0.21 3.53 4.64 -0.99 -4.99 116.55 125.12 2j4n n ASP 26 Ca 0.01 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.45 2j4n n ASP 26 Cb 0.53 0.00 0.17 0.00 -1.04 0.00 0.00 41.12 40.78 2j4n n ASP 26 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2j4n n ALA 27 N -3.00 2.51 -0.04 -1.67 0.00 -1.26 -3.13 120.51 113.92 2j4n n ALA 27 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.22 2j4n n ALA 27 Cb 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 2j4n n ALA 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2j4n n SER 28 N -0.22 0.96 0.00 0.00 3.41 -1.26 -5.11 113.62 111.41 2j4n n SER 28 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2j4n n SER 28 Cb 0.12 1.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 2j4n n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j4n n GLY 29 N 1.74 0.29 3.60 5.00 0.00 -1.18 -5.02 105.19 109.62 2j4n n GLY 29 Ca -0.15 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 2j4n n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4n s GLN 30 N -1.48 2.19 0.01 1.61 1.11 -1.26 -2.36 119.66 119.48 2j4n s GLN 30 Ca 0.00 -1.21 -0.11 0.00 0.01 0.00 0.00 55.36 54.05 2j4n s GLN 30 Cb 0.00 -2.23 0.01 0.00 -1.01 0.00 0.00 33.01 29.78 2j4n s GLN 30 CO 0.00 0.44 0.22 -1.58 0.01 0.00 0.00 175.29 174.38 2j4n s TRP 31 N -1.73 -0.04 0.15 0.91 0.52 -1.02 -2.84 118.94 114.89 2j4n s TRP 31 Ca 0.26 -0.03 -0.16 0.00 0.02 0.00 0.00 56.10 56.19 2j4n s TRP 31 Cb -0.09 0.02 0.06 0.00 -1.15 0.00 0.00 33.47 32.30 2j4n s TRP 31 CO 0.16 -0.38 0.77 0.41 0.02 0.00 0.00 176.95 177.93 2j4n n GLY 32 N 1.10 0.80 3.27 0.98 0.00 -0.77 -2.74 105.19 107.84 2j4n n GLY 32 Ca -0.21 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2j4n n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j4n s VAL 33 N -2.19 3.17 -0.20 1.61 1.01 -1.26 -1.57 120.40 120.96 2j4n s VAL 33 Ca 0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2j4n s VAL 33 Cb -0.02 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 2j4n s VAL 33 CO 0.04 0.40 -0.08 -1.58 0.00 0.00 0.00 175.10 173.89 2j4n s GLN 34 N 1.44 3.32 -2.16 2.72 0.74 0.73 -4.56 119.66 121.89 2j4n s GLN 34 Ca 0.05 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.79 2j4n s GLN 34 Cb -0.14 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.09 2j4n s GLN 34 CO -0.04 -0.13 0.00 -1.71 -0.55 0.00 0.00 175.29 172.85 2j4n n ASN 35 N 4.56 -5.48 -0.24 6.67 5.15 -1.26 -2.16 115.26 122.51 2j4n n ASN 35 Ca -0.19 0.46 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2j4n n ASN 35 Cb 0.51 -4.82 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 2j4n n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j4n n GLY 36 N -0.44 1.00 3.48 8.20 0.00 -1.26 -5.09 105.19 111.07 2j4n n GLY 36 Ca -0.21 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 2j4n n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2j4n s GLN 37 N -2.73 0.79 0.76 1.61 -2.07 -0.92 -5.13 119.66 111.97 2j4n s GLN 37 Ca 0.00 0.57 -0.14 0.00 -1.82 0.00 0.00 55.36 53.97 2j4n s GLN 37 Cb 0.00 0.38 0.06 0.00 -1.09 0.00 0.00 33.01 32.35 2j4n s GLN 37 CO 0.00 -0.16 1.17 -1.58 -1.32 0.00 0.00 175.29 173.40 2j4n s TRP 38 N -0.25 2.10 -0.11 9.60 0.23 -1.26 -0.19 118.94 129.05 2j4n s TRP 38 Ca -0.04 1.63 -0.33 0.00 -2.03 0.00 0.00 56.10 55.33 2j4n s TRP 38 Cb -0.03 -3.36 0.13 0.00 0.03 0.00 0.00 33.47 30.24 2j4n s TRP 38 CO 0.04 -2.43 1.25 0.00 0.96 0.00 0.00 176.95 176.76 2j4n s GLY 40 N -2.55 1.77 -0.19 0.00 0.00 -0.49 -1.84 107.32 104.02 2j4n s GLY 40 Ca 0.12 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.16 2j4n s GLY 40 CO -0.04 0.62 1.95 -0.42 0.00 0.00 0.00 173.10 175.21 2j4n s ILE 41 N 1.51 3.26 -0.31 0.90 1.09 -1.13 -1.34 121.20 125.17 2j4n s ILE 41 Ca 0.03 0.28 -0.00 0.00 -1.10 0.00 0.00 60.65 59.86 2j4n s ILE 41 Cb -0.17 -3.29 0.10 0.00 -1.06 0.00 0.00 42.46 38.04 2j4n s ILE 41 CO 0.02 -0.15 0.10 -1.81 -0.10 0.00 0.00 174.94 173.00 2j4n s ASP 42 N 6.23 4.07 0.00 3.58 1.11 -1.26 -4.52 116.67 125.87 2j4n s ASP 42 Ca 0.88 -1.70 0.32 0.00 0.18 0.00 0.00 52.55 52.23 2j4n s ASP 42 Cb -0.31 -0.91 1.87 0.00 1.07 0.00 0.00 42.92 44.64 2j4n s ASP 42 CO 0.35 -0.41 2.21 -1.22 1.18 0.00 0.00 175.17 177.27 2j4n n TYR 43 N 4.78 0.00 -2.68 4.23 4.02 -1.26 -3.78 117.16 122.47 2j4n n TYR 43 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 2j4n n TYR 43 Cb 0.42 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.75 2j4n n TYR 43 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2j4n n SER 44 N -1.02 1.42 -2.10 7.72 7.64 -1.26 -4.86 113.62 121.16 2j4n n SER 44 Ca 0.23 -2.64 -0.25 0.00 1.01 0.00 0.00 58.87 57.22 2j4n n SER 44 Cb 0.12 -0.51 0.14 0.00 -1.01 0.00 0.00 64.21 62.95 2j4n n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j4n n TYR 45 N -0.12 2.82 -2.59 1.43 4.11 -1.25 -4.92 117.16 116.64 2j4n n TYR 45 Ca 0.09 -2.24 -0.02 0.00 -0.00 0.00 0.00 57.90 55.72 2j4n n TYR 45 Cb 0.82 -1.02 -0.02 0.00 -0.00 0.00 0.00 39.34 39.12 2j4n n TYR 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2j4n n GLY 46 N -1.04 -4.64 3.62 -7.48 0.00 -1.26 0.23 105.19 94.62 2j4n n GLY 46 Ca 0.56 0.96 -0.32 0.00 0.00 0.00 0.00 46.02 47.22 2j4n n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2j4n n GLN 47 N 1.06 0.77 -1.54 1.61 0.00 -1.26 -2.90 117.38 115.13 2j4n n GLN 47 Ca -0.17 -3.66 -0.30 0.00 -0.00 0.00 0.00 57.00 52.87 2j4n n GLN 47 Cb 0.26 0.95 0.20 0.00 0.00 0.00 0.00 30.24 31.65 2j4n n GLN 47 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2j4n s ASN 48 N -3.80 2.23 0.00 1.69 -0.87 -1.26 -4.95 114.94 107.99 2j4n s ASN 48 Ca 0.02 0.49 0.17 0.00 -1.57 0.00 0.00 52.86 51.97 2j4n s ASN 48 Cb -0.00 -0.67 0.66 0.00 -0.02 0.00 0.00 41.25 41.23 2j4n s ASN 48 CO 0.01 -3.30 1.48 1.67 -2.57 0.00 0.00 177.10 174.39 2j4n n GLN 49 N -4.18 1.60 0.26 -0.60 0.00 0.17 -4.14 117.38 110.49 2j4n n GLN 49 Ca 0.13 -0.91 0.13 0.00 -0.00 0.00 0.00 57.00 56.35 2j4n n GLN 49 Cb 0.59 -1.33 0.70 0.00 0.00 0.00 0.00 30.24 30.20 2j4n n GLN 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2j4n h GLY 50 N 5.17 0.00 -2.75 1.69 0.00 -0.88 -3.33 103.07 102.97 2j4n h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j4n h GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2j4n n ASN 51 N -2.56 -1.83 0.05 0.19 2.85 -1.26 -4.93 115.26 107.78 2j4n n ASN 51 Ca -0.02 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.36 2j4n n ASN 51 Cb 0.26 -0.52 -0.13 0.00 1.24 0.00 0.00 39.78 40.63 2j4n n ASN 51 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2j4n h GLU 52 N 0.00 0.07 -3.00 1.20 3.07 -1.88 -3.48 114.58 110.57 2j4n h GLU 52 Ca 0.00 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 2j4n h GLU 52 Cb 0.92 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2j4n h GLU 52 CO 0.00 0.96 0.28 0.45 -1.40 0.00 0.00 179.01 179.30 2j4n s SER 53 N -6.70 0.01 0.33 1.42 0.15 -1.26 -4.76 113.70 102.88 2j4n s SER 53 Ca -0.02 -1.15 0.09 0.00 0.70 0.00 0.00 55.95 55.57 2j4n s SER 53 Cb 0.09 0.85 -0.05 0.00 -1.71 0.00 0.00 66.02 65.20 2j4n s SER 53 CO 0.83 -1.69 -0.01 0.00 1.20 0.00 0.00 173.24 173.57 2j4n s THR 55 N -2.50 4.96 0.00 0.00 2.01 -1.11 -4.00 115.64 115.00 2j4n s THR 55 Ca 0.34 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.45 2j4n s THR 55 Cb -0.01 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2j4n s THR 55 CO 0.19 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2j4n n GLY 56 N 2.41 1.12 0.00 4.40 0.00 -1.26 -1.98 105.19 109.88 2j4n n GLY 56 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2j4n n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2j4n n ASN 57 N 0.00 0.00 -0.15 1.61 0.23 -1.25 -1.50 115.26 114.21 2j4n n ASN 57 Ca 0.00 -1.23 0.02 0.00 -0.53 0.00 0.00 54.58 52.84 2j4n n ASN 57 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 2j4n n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j4n n GLY 58 N 0.60 1.06 2.11 4.83 0.00 -1.26 -4.95 105.19 107.57 2j4n n GLY 58 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2j4n n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j4n n SER 59 N -0.43 -2.23 -4.29 1.61 2.88 -1.01 -5.17 113.62 104.99 2j4n n SER 59 Ca 0.04 0.48 -0.16 0.00 -1.33 0.00 0.00 58.87 57.90 2j4n n SER 59 Cb 0.53 2.30 -0.10 0.00 -0.75 0.00 0.00 64.21 66.19 2j4n n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2j4n s TYR 60 N -1.50 1.42 1.08 0.66 2.02 -0.56 -5.08 117.35 115.39 2j4n s TYR 60 Ca 0.00 -0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 55.81 2j4n s TYR 60 Cb 0.00 -0.72 0.15 0.00 -0.40 0.00 0.00 41.96 40.99 2j4n s TYR 60 CO 0.00 0.13 0.53 -0.35 -1.57 0.00 0.00 175.55 174.28 2j4n n PRO 61 N -0.28 -1.47 -1.88 -1.71 -0.04 -1.25 -3.76 135.00 124.61 2j4n n PRO 61 Ca -0.09 -0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 62.66 2j4n n PRO 61 Cb 0.61 -1.95 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2j4n n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j4n n ASN 64 N -2.11 0.00 -4.81 0.00 5.15 -1.26 -4.95 115.26 107.28 2j4n n ASN 64 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 2j4n n ASN 64 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2j4n n ASN 64 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2j4n s THR 65 N -1.77 4.53 -0.46 -0.44 -1.32 -1.26 -4.90 115.64 110.02 2j4n s THR 65 Ca 0.00 1.35 0.01 0.00 -1.21 0.00 0.00 61.69 61.83 2j4n s THR 65 Cb 0.00 -3.89 0.46 0.00 -1.51 0.00 0.00 72.50 67.57 2j4n s THR 65 CO 0.00 0.22 1.89 0.00 -2.21 0.00 0.00 174.62 174.53 2j4n s GLN 67 N -2.94 1.89 -0.46 0.00 -0.44 -1.26 -4.98 119.66 111.48 2j4n s GLN 67 Ca 0.50 -2.49 -0.26 0.00 -2.50 0.00 0.00 55.36 50.60 2j4n s GLN 67 Cb 0.41 -3.30 0.03 0.00 -1.64 0.00 0.00 33.01 28.50 2j4n s GLN 67 CO 0.04 -1.08 0.99 0.00 0.50 0.00 0.00 175.29 175.74 2j4n s ALA 68 N -0.08 3.23 -0.23 1.58 0.00 -1.26 -4.47 121.76 120.53 2j4n s ALA 68 Ca 0.16 -0.67 0.20 0.00 0.00 0.00 0.00 51.96 51.65 2j4n s ALA 68 Cb -0.25 -3.70 0.02 0.00 0.00 0.00 0.00 23.12 19.20 2j4n s ALA 68 CO -0.01 -2.07 1.12 0.00 0.00 0.00 0.00 175.76 174.80 2j4n h THR 69 N 6.10 0.23 -2.65 0.00 1.03 -1.20 -3.47 112.91 112.96 2j4n h THR 69 Ca -0.24 -1.41 -0.11 0.00 -0.01 0.00 0.00 66.41 64.65 2j4n h THR 69 Cb 1.07 1.83 -0.24 0.00 -1.07 0.00 0.00 68.15 69.74 2j4n h THR 69 CO 1.05 0.13 -0.21 -0.72 -0.01 0.00 0.00 175.52 175.77 2j4n s TYR 70 N -3.18 -0.51 -0.06 0.00 -0.85 -0.41 -5.01 117.35 107.33 2j4n s TYR 70 Ca 0.01 1.22 0.06 0.00 -0.52 0.00 0.00 57.07 57.83 2j4n s TYR 70 Cb 0.08 0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.59 2j4n s TYR 70 CO 0.77 -0.25 -0.23 0.99 -1.52 0.00 0.00 175.55 175.31 2j4n s THR 71 N 0.40 2.27 0.00 -3.49 2.01 -1.26 0.19 115.64 115.76 2j4n s THR 71 Ca -0.01 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2j4n s THR 71 Cb -0.04 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2j4n s THR 71 CO -0.01 0.57 0.00 -0.67 -0.69 0.00 0.00 174.62 173.82 2j4n n ASP 72 N 2.82 1.44 -0.02 3.53 4.64 0.73 -4.96 116.55 124.74 2j4n n ASP 72 Ca -0.17 -0.65 0.00 0.00 -1.38 0.00 0.00 54.79 52.59 2j4n n ASP 72 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 2j4n n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2j4n n GLY 73 N 5.00 -0.72 0.10 0.27 0.00 -1.26 -2.77 105.19 105.81 2j4n n GLY 73 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2j4n n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j4n n ASP 74 N -0.48 0.91 0.00 1.61 2.03 -1.26 -5.13 116.55 114.23 2j4n n ASP 74 Ca 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.56 2j4n n ASP 74 Cb 0.01 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2j4n n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j4n n GLY 75 N -0.34 0.54 3.87 0.27 0.00 -1.11 -4.79 105.19 103.63 2j4n n GLY 75 Ca 0.02 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 2j4n n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j4n s ASP 76 N -2.82 4.10 -0.05 1.61 1.01 -1.26 -0.19 116.67 119.08 2j4n s ASP 76 Ca 0.00 0.78 -0.24 0.00 0.71 0.00 0.00 52.55 53.80 2j4n s ASP 76 Cb 0.00 -1.25 0.05 0.00 1.01 0.00 0.00 42.92 42.73 2j4n s ASP 76 CO 0.00 -2.16 0.53 0.26 0.21 0.00 0.00 175.17 174.01 2j4n s TRP 77 N -3.52 -0.47 0.16 4.23 0.52 0.50 -3.27 118.94 117.09 2j4n s TRP 77 Ca 0.63 0.81 -0.07 0.00 0.02 0.00 0.00 56.10 57.49 2j4n s TRP 77 Cb -0.11 0.27 -0.01 0.00 -1.15 0.00 0.00 33.47 32.47 2j4n s TRP 77 CO 0.50 -0.50 0.25 0.00 0.02 0.00 0.00 176.95 177.22 2j4n s ALA 78 N -1.15 0.19 -0.43 0.98 0.00 -0.84 -0.54 121.76 119.96 2j4n s ALA 78 Ca -0.11 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 2j4n s ALA 78 Cb -0.02 0.90 0.06 0.00 0.00 0.00 0.00 23.12 24.05 2j4n s ALA 78 CO 0.07 -0.63 0.30 0.12 0.00 0.00 0.00 175.76 175.62 2j4n s PHE 79 N -3.99 3.27 0.06 0.00 5.99 -1.26 -2.23 117.98 119.81 2j4n s PHE 79 Ca 0.20 -1.07 0.09 0.00 0.00 0.00 0.00 56.93 56.14 2j4n s PHE 79 Cb 0.04 -2.87 -0.03 0.00 0.00 0.00 0.00 43.02 40.16 2j4n s PHE 79 CO 0.01 -0.75 -0.25 -2.00 -0.00 0.00 0.00 175.22 172.23 2j4n s GLU 80 N 1.56 1.60 -0.91 10.12 2.12 -0.96 -4.66 118.70 127.58 2j4n s GLU 80 Ca 0.03 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.26 2j4n s GLU 80 Cb -0.22 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2j4n s GLU 80 CO 0.06 0.46 0.00 0.09 -0.54 0.00 0.00 175.26 175.33 2j4n n ASN 81 N 1.65 -3.05 -0.82 -1.70 3.02 -1.26 0.91 115.26 114.01 2j4n n ASN 81 Ca -0.17 0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 2j4n n ASN 81 Cb 0.52 -2.74 -0.03 0.00 -0.61 0.00 0.00 39.78 36.93 2j4n n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4n n GLY 82 N -0.55 0.74 3.01 7.41 0.00 -1.26 -5.02 105.19 109.52 2j4n n GLY 82 Ca -0.11 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2j4n n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4n s ASN 83 N -2.80 1.28 -0.77 1.61 2.20 0.26 -5.08 114.94 111.64 2j4n s ASN 83 Ca 0.00 -0.20 -0.25 0.00 -0.94 0.00 0.00 52.86 51.47 2j4n s ASN 83 Cb 0.00 -0.34 -0.04 0.00 -2.00 0.00 0.00 41.25 38.87 2j4n s ASN 83 CO 0.00 0.07 1.92 0.26 -2.94 0.00 0.00 177.10 176.41 2j4n s TRP 84 N 0.19 1.73 0.53 1.54 0.52 -1.26 -2.27 118.94 119.92 2j4n s TRP 84 Ca -0.03 0.71 0.04 0.00 0.02 0.00 0.00 56.10 56.84 2j4n s TRP 84 Cb -0.09 -4.06 0.02 0.00 -1.15 0.00 0.00 33.47 28.19 2j4n s TRP 84 CO 0.01 -1.99 0.25 0.00 0.02 0.00 0.00 176.95 175.24 2j4n s GLY 86 N -4.13 1.58 0.13 0.00 0.00 -0.84 -2.00 107.32 102.07 2j4n s GLY 86 Ca 0.23 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.26 2j4n s GLY 86 CO 0.14 -1.42 0.96 -0.42 0.00 0.00 0.00 173.10 172.36 2j4n s ILE 87 N -1.99 4.45 0.52 0.90 1.09 -1.20 -1.40 121.20 123.57 2j4n s ILE 87 Ca 0.31 2.07 -0.23 0.00 -1.10 0.00 0.00 60.65 61.70 2j4n s ILE 87 Cb -0.08 -4.32 -0.06 0.00 -1.06 0.00 0.00 42.46 36.93 2j4n s ILE 87 CO 0.23 0.34 1.40 -0.54 -0.10 0.00 0.00 174.94 176.26 2j4n s LYS 88 N -0.13 3.29 0.63 2.79 -0.14 -1.26 -2.74 119.74 122.18 2j4n s LYS 88 Ca 0.46 2.33 0.34 0.00 -1.36 0.00 0.00 55.97 57.74 2j4n s LYS 88 Cb -0.24 -2.38 1.87 0.00 -1.68 0.00 0.00 37.83 35.40 2j4n s LYS 88 CO 0.30 -1.10 2.12 -0.91 -0.76 0.00 0.00 175.35 175.00 2j4n h ASN 89 N 1.71 0.00 1.85 2.83 2.35 -1.70 0.23 115.58 122.85 2j4n h ASN 89 Ca -0.51 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.21 2j4n h ASN 89 Cb 1.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.66 2j4n h ASN 89 CO 0.58 0.00 -0.14 -1.28 -1.65 0.00 0.00 177.43 174.94 2j4n h SER 90 N 0.00 0.00 -1.03 5.81 0.87 -1.79 -3.34 113.55 114.07 2j4n h SER 90 Ca 0.04 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.07 2j4n h SER 90 Cb 0.41 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.21 2j4n h SER 90 CO -0.00 0.14 0.71 0.00 -0.53 0.00 0.00 176.83 177.15 2j4n n LYS 92 N 1.11 0.29 0.00 0.00 5.02 -1.25 -4.84 118.16 118.49 2j4n n LYS 92 Ca 0.51 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2j4n n LYS 92 Cb 0.52 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 2j4n n LYS 92 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2j4n n GLN 93 N -3.89 0.00 0.14 1.97 1.13 -1.26 -5.13 117.38 110.34 2j4n n GLN 93 Ca -0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2j4n n GLN 93 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.77 2j4n n GLN 93 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2j4n n GLN 94 N 0.00 0.00 -0.28 -1.09 6.02 -1.26 -5.00 117.38 115.76 2j4n n GLN 94 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2j4n n GLN 94 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 2j4n n GLN 94 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2j4n n PRO 95 N -3.03 0.43 -2.83 -1.09 -0.04 -1.26 -4.40 135.00 122.77 2j4n n PRO 95 Ca 0.00 -0.83 -0.08 0.00 -0.04 0.00 0.00 63.50 62.55 2j4n n PRO 95 Cb 0.00 -2.22 0.01 0.00 -0.04 0.00 0.00 33.50 31.24 2j4n n PRO 95 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2j4n n GLN 96 N 5.57 0.57 -2.81 0.54 6.02 -1.26 -4.98 117.38 121.02 2j4n n GLN 96 Ca 0.19 -2.11 -0.07 0.00 -0.01 0.00 0.00 57.00 55.00 2j4n n GLN 96 Cb 0.13 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 29.92 2j4n n GLN 96 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2j4n n ASN 97 N 2.58 -7.86 -4.52 1.08 4.05 -1.26 0.45 115.26 109.78 2j4n n ASN 97 Ca 0.17 0.61 -0.34 0.00 0.45 0.00 0.00 54.58 55.47 2j4n n ASN 97 Cb 0.57 -5.32 -0.12 0.00 1.23 0.00 0.00 39.78 36.14 2j4n n ASN 97 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2j4n s ASN 98 N -2.50 4.68 -0.30 1.20 2.47 -1.26 -1.91 114.94 117.32 2j4n s ASN 98 Ca 0.22 -0.10 -0.18 0.00 0.42 0.00 0.00 52.86 53.22 2j4n s ASN 98 Cb -0.06 -1.55 0.19 0.00 -1.45 0.00 0.00 41.25 38.37 2j4n s ASN 98 CO 0.76 0.24 1.22 0.21 -3.72 0.00 0.00 177.10 175.81 2j4n s ASN 99 N -0.07 -0.18 0.00 -4.21 2.47 -1.26 -5.09 114.94 106.60 2j4n s ASN 99 Ca 0.01 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.52 2j4n s ASN 99 Cb -0.13 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.86 2j4n s ASN 99 CO 0.03 -0.03 0.00 1.67 -3.72 0.00 0.00 177.10 175.05