#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4m s MET 2 N 0.00 0.40 -0.06 0.00 -2.45 -0.82 -5.00 119.30 111.36 2j4m s MET 2 Ca 0.00 -0.17 0.05 0.00 -1.25 0.00 0.00 55.69 54.32 2j4m s MET 2 Cb 0.00 0.04 0.11 0.00 1.25 0.00 0.00 34.83 36.23 2j4m s MET 2 CO 0.00 -0.57 1.11 0.00 1.05 0.00 0.00 175.02 176.61 2j4m n ALA 3 N 3.79 3.48 -1.77 4.11 0.00 0.41 -4.83 120.51 125.71 2j4m n ALA 3 Ca 0.08 -0.92 -0.37 0.00 0.00 0.00 0.00 53.44 52.22 2j4m n ALA 3 Cb 0.61 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 2j4m n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j4m n TRP 5 N -0.56 0.66 0.09 0.00 4.27 -1.26 -3.32 117.44 117.33 2j4m n TRP 5 Ca 0.08 0.20 -0.07 0.00 -3.89 0.00 0.00 57.50 53.82 2j4m n TRP 5 Cb 0.48 -0.82 0.05 0.00 -1.36 0.00 0.00 31.31 29.65 2j4m n TRP 5 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2j4m h ALA 6 N 2.63 0.66 0.00 -1.67 0.00 -1.91 -3.11 119.26 115.86 2j4m h ALA 6 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 2j4m h ALA 6 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2j4m h ALA 6 CO 0.00 0.84 -0.20 -0.56 0.00 0.00 0.00 179.25 179.33 2j4m h GLN 7 N 0.13 0.00 -0.25 0.00 -0.00 -1.64 -1.92 115.11 111.43 2j4m h GLN 7 Ca -0.03 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.70 2j4m h GLN 7 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.81 2j4m h GLN 7 CO 0.12 0.20 0.29 1.03 -0.00 0.00 0.00 178.83 180.47 2j4m h SER 8 N 0.00 0.00 0.15 0.06 0.87 -1.70 -0.39 113.55 112.53 2j4m h SER 8 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2j4m h SER 8 Cb 0.36 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2j4m h SER 8 CO 0.03 0.00 -2.16 0.00 -0.53 0.00 0.00 176.83 174.16 2j4m n GLN 9 N -3.70 0.67 0.00 2.24 6.02 -0.76 -4.99 117.38 116.86 2j4m n GLN 9 Ca 0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2j4m n GLN 9 Cb 0.43 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2j4m n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j4m n GLY 10 N 1.66 0.95 0.73 1.08 0.00 -0.16 -5.15 105.19 104.30 2j4m n GLY 10 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 2j4m n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j4m n TYR 11 N 0.00 -2.76 -4.44 1.61 4.02 -0.96 -4.86 117.16 109.78 2j4m n TYR 11 Ca 0.00 -0.20 -0.22 0.00 -0.01 0.00 0.00 57.90 57.47 2j4m n TYR 11 Cb 0.00 -0.26 -0.10 0.00 -0.02 0.00 0.00 39.34 38.96 2j4m n TYR 11 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2j4m s ASN 12 N -2.20 3.11 0.33 7.72 2.47 -1.26 -3.75 114.94 121.36 2j4m s ASN 12 Ca 0.15 -1.11 -0.25 0.00 0.42 0.00 0.00 52.86 52.07 2j4m s ASN 12 Cb -0.02 -0.23 -0.10 0.00 -1.45 0.00 0.00 41.25 39.45 2j4m s ASN 12 CO 0.12 -0.17 0.94 0.00 -3.72 0.00 0.00 177.10 174.27 2j4m n ASN 15 N 5.18 -0.89 -3.83 0.00 2.04 -1.26 -2.54 115.26 113.95 2j4m n ASN 15 Ca -0.12 0.69 -0.26 0.00 -0.44 0.00 0.00 54.58 54.46 2j4m n ASN 15 Cb 0.45 -1.21 0.01 0.00 -2.53 0.00 0.00 39.78 36.49 2j4m n ASN 15 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2j4m n ASN 16 N 0.08 -1.54 0.25 0.53 3.02 -1.26 -4.81 115.26 111.53 2j4m n ASN 16 Ca 0.11 -0.96 0.17 0.00 -0.03 0.00 0.00 54.58 53.87 2j4m n ASN 16 Cb 0.48 -3.37 0.91 0.00 -0.61 0.00 0.00 39.78 37.20 2j4m n ASN 16 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2j4m h PRO 17 N -1.85 0.00 -0.00 3.52 0.13 -1.76 -0.71 132.00 131.33 2j4m h PRO 17 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2j4m h PRO 17 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2j4m h PRO 17 CO 0.58 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.80 2j4m n SER 18 N -2.68 0.01 -1.24 1.44 2.88 -1.26 -3.47 113.62 109.30 2j4m n SER 18 Ca -0.02 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 2j4m n SER 18 Cb 0.06 -0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 2j4m n SER 18 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2j4m n SER 19 N -0.93 0.31 -4.89 -3.46 2.88 -0.28 -5.11 113.62 102.14 2j4m n SER 19 Ca 0.21 -1.96 -0.33 0.00 -1.33 0.00 0.00 58.87 55.46 2j4m n SER 19 Cb 0.10 -0.11 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 2j4m n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2j4m s THR 20 N 0.00 5.26 -0.39 2.46 2.01 -1.16 -5.06 115.64 118.75 2j4m s THR 20 Ca 0.20 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 2j4m s THR 20 Cb 0.23 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2j4m s THR 20 CO -0.10 0.23 0.69 -0.75 -0.69 0.00 0.00 174.62 174.00 2j4m s LYS 21 N -2.13 3.56 -0.74 4.92 2.47 -1.26 -5.00 119.74 121.55 2j4m s LYS 21 Ca 0.33 -0.02 -0.20 0.00 -1.56 0.00 0.00 55.97 54.52 2j4m s LYS 21 Cb -0.13 -3.86 0.11 0.00 -1.46 0.00 0.00 37.83 32.49 2j4m s LYS 21 CO 0.20 -0.88 0.94 0.08 0.16 0.00 0.00 175.35 175.86 2j4m s VAL 22 N 2.90 4.67 -2.41 4.02 1.01 -1.26 -3.90 120.40 125.42 2j4m s VAL 22 Ca 0.26 -1.07 0.28 0.00 0.00 0.00 0.00 61.98 61.45 2j4m s VAL 22 Cb -0.14 -4.65 0.58 0.00 0.00 0.00 0.00 36.38 32.17 2j4m s VAL 22 CO 0.17 -1.37 1.78 -1.84 0.00 0.00 0.00 175.10 173.85 2j4m n GLU 23 N 6.74 1.58 -4.06 2.72 0.28 -1.04 -4.84 120.64 122.03 2j4m n GLU 23 Ca 0.05 -0.85 -0.13 0.00 -0.16 0.00 0.00 57.16 56.07 2j4m n GLU 23 Cb 0.46 -1.47 -0.13 0.00 1.43 0.00 0.00 31.44 31.73 2j4m n GLU 23 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2j4m s TYR 24 N -1.98 0.40 -0.28 -1.84 5.04 -1.04 -5.05 117.35 112.60 2j4m s TYR 24 Ca 0.39 -0.23 -0.17 0.00 -2.44 0.00 0.00 57.07 54.61 2j4m s TYR 24 Cb 0.21 -0.26 0.10 0.00 0.35 0.00 0.00 41.96 42.36 2j4m s TYR 24 CO 0.33 -0.05 0.79 0.99 -1.34 0.00 0.00 175.55 176.27 2j4m s THR 25 N -0.60 0.00 0.00 4.34 2.01 -1.26 -1.64 115.64 118.49 2j4m s THR 25 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2j4m s THR 25 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.46 2j4m s THR 25 CO -0.00 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.26 2j4m n ASP 26 N 3.95 0.21 -0.30 3.53 4.64 -1.16 -5.00 116.55 122.42 2j4m n ASP 26 Ca -0.19 0.00 0.06 0.00 -1.38 0.00 0.00 54.79 53.28 2j4m n ASP 26 Cb 0.58 0.00 0.23 0.00 -1.04 0.00 0.00 41.12 40.89 2j4m n ASP 26 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2j4m n ALA 27 N -3.00 2.51 -0.04 -1.67 0.00 -1.26 -3.29 120.51 113.76 2j4m n ALA 27 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.15 2j4m n ALA 27 Cb 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 2j4m n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2j4m n SER 28 N -0.10 1.10 0.00 0.00 7.64 -1.26 -5.11 113.62 115.89 2j4m n SER 28 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2j4m n SER 28 Cb 0.16 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 2j4m n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j4m n GLY 29 N 1.74 0.70 3.76 0.23 0.00 -1.21 -4.99 105.19 105.42 2j4m n GLY 29 Ca -0.13 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 2j4m n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4m s GLN 30 N -1.17 4.20 0.10 1.61 -0.21 -1.26 -2.96 119.66 119.97 2j4m s GLN 30 Ca 0.00 0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.82 2j4m s GLN 30 Cb 0.00 -3.37 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 2j4m s GLN 30 CO 0.00 0.34 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.78 2j4m s TRP 31 N 0.07 1.36 -0.01 0.91 0.52 -0.65 -1.04 118.94 120.09 2j4m s TRP 31 Ca 0.24 -0.52 -0.28 0.00 0.02 0.00 0.00 56.10 55.56 2j4m s TRP 31 Cb -0.15 -0.73 0.10 0.00 -1.15 0.00 0.00 33.47 31.53 2j4m s TRP 31 CO 0.10 0.12 0.83 0.20 0.02 0.00 0.00 176.95 178.22 2j4m s GLY 32 N -2.19 -0.47 -0.41 0.98 0.00 -0.94 -2.48 107.32 101.80 2j4m s GLY 32 Ca 0.05 1.16 -0.18 0.00 0.00 0.00 0.00 44.72 45.74 2j4m s GLY 32 CO 0.03 0.52 0.51 0.14 0.00 0.00 0.00 173.10 174.30 2j4m s VAL 33 N -2.59 5.00 -0.07 1.40 1.01 -1.25 -2.53 120.40 121.36 2j4m s VAL 33 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2j4m s VAL 33 Cb -0.01 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2j4m s VAL 33 CO -0.05 -0.43 -0.17 -1.58 0.00 0.00 0.00 175.10 172.86 2j4m s GLN 34 N 2.39 2.76 -0.97 2.72 2.00 -0.74 -4.60 119.66 123.21 2j4m s GLN 34 Ca 0.16 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.76 2j4m s GLN 34 Cb -0.16 -2.38 0.00 0.00 0.80 0.00 0.00 33.01 31.28 2j4m s GLN 34 CO 0.15 0.43 0.00 0.27 -0.50 0.00 0.00 175.29 175.65 2j4m n ASN 35 N 2.85 -3.49 -1.69 6.67 0.23 -1.26 -0.95 115.26 117.61 2j4m n ASN 35 Ca -0.17 0.23 -0.07 0.00 -0.53 0.00 0.00 54.58 54.04 2j4m n ASN 35 Cb 0.52 -3.03 0.03 0.00 -2.08 0.00 0.00 39.78 35.23 2j4m n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j4m n GLY 36 N -0.69 0.32 3.49 4.83 0.00 -1.26 -5.05 105.19 106.83 2j4m n GLY 36 Ca -0.13 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 2j4m n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4m s GLN 37 N -5.08 0.61 0.30 1.61 -0.21 -0.13 -5.15 119.66 111.61 2j4m s GLN 37 Ca 0.13 0.98 -0.29 0.00 0.02 0.00 0.00 55.36 56.19 2j4m s GLN 37 Cb -0.06 0.15 -0.10 0.00 1.00 0.00 0.00 33.01 34.01 2j4m s GLN 37 CO 0.26 -0.13 1.29 -1.58 -2.12 0.00 0.00 175.29 173.00 2j4m s TRP 38 N 1.16 3.15 -0.29 0.91 0.23 -1.26 -1.79 118.94 121.04 2j4m s TRP 38 Ca -0.07 1.40 -0.25 0.00 -2.03 0.00 0.00 56.10 55.15 2j4m s TRP 38 Cb -0.06 -3.62 0.16 0.00 0.03 0.00 0.00 33.47 29.98 2j4m s TRP 38 CO -0.11 -1.73 1.26 0.00 0.96 0.00 0.00 176.95 177.33 2j4m s GLY 40 N 0.02 1.66 -0.58 0.00 0.00 -1.14 -2.22 107.32 105.06 2j4m s GLY 40 Ca 0.05 0.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.77 2j4m s GLY 40 CO -0.11 0.54 0.61 -0.42 0.00 0.00 0.00 173.10 173.72 2j4m s ILE 41 N -2.94 5.05 -0.45 0.90 1.09 -0.21 -3.17 121.20 121.47 2j4m s ILE 41 Ca 0.61 -1.32 -0.00 0.00 -1.10 0.00 0.00 60.65 58.84 2j4m s ILE 41 Cb -0.17 -4.42 0.12 0.00 -1.06 0.00 0.00 42.46 36.93 2j4m s ILE 41 CO 0.56 -1.00 0.22 -1.81 -0.10 0.00 0.00 174.94 172.81 2j4m s ASP 42 N 3.56 5.00 0.48 3.58 -0.00 -1.26 -4.79 116.67 123.24 2j4m s ASP 42 Ca 0.08 -2.36 0.32 0.00 -0.00 0.00 0.00 52.55 50.59 2j4m s ASP 42 Cb -0.26 -1.76 1.65 0.00 -0.00 0.00 0.00 42.92 42.55 2j4m s ASP 42 CO 0.04 -0.43 1.98 1.88 -0.00 0.00 0.00 175.17 178.65 2j4m h TYR 43 N 7.52 0.00 -1.33 4.23 0.05 -1.92 -2.88 116.97 122.64 2j4m h TYR 43 Ca -0.08 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.21 2j4m h TYR 43 Cb 1.00 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.33 2j4m h TYR 43 CO 0.56 0.00 -0.93 0.43 -1.05 0.00 0.00 178.16 177.17 2j4m n SER 44 N -2.69 3.31 -1.48 3.88 7.64 -1.26 -4.87 113.62 118.14 2j4m n SER 44 Ca -0.01 -3.29 -0.09 0.00 1.01 0.00 0.00 58.87 56.48 2j4m n SER 44 Cb 0.12 -0.49 0.08 0.00 -1.01 0.00 0.00 64.21 62.90 2j4m n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j4m n TYR 45 N -0.29 1.23 -0.90 1.43 4.11 -1.09 -4.79 117.16 116.86 2j4m n TYR 45 Ca 0.26 -1.02 0.00 0.00 -0.00 0.00 0.00 57.90 57.15 2j4m n TYR 45 Cb 0.72 -0.52 0.00 0.00 -0.00 0.00 0.00 39.34 39.54 2j4m n TYR 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2j4m n GLY 46 N -0.15 0.59 2.32 -7.48 0.00 -1.26 0.15 105.19 99.36 2j4m n GLY 46 Ca 0.24 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2j4m n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2j4m n GLN 47 N -0.77 0.83 -2.63 1.61 1.13 -1.26 0.10 117.38 116.39 2j4m n GLN 47 Ca 0.00 -1.92 -0.31 0.00 -1.94 0.00 0.00 57.00 52.83 2j4m n GLN 47 Cb 0.30 -0.04 -0.03 0.00 0.11 0.00 0.00 30.24 30.58 2j4m n GLN 47 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2j4m s ASN 48 N -3.09 6.53 0.00 1.08 0.01 -1.26 -4.85 114.94 113.35 2j4m s ASN 48 Ca 0.31 1.29 0.14 0.00 -0.71 0.00 0.00 52.86 53.89 2j4m s ASN 48 Cb -0.02 -2.39 0.43 0.00 0.41 0.00 0.00 41.25 39.67 2j4m s ASN 48 CO 0.20 -0.50 1.34 1.67 -1.51 0.00 0.00 177.10 178.30 2j4m n GLN 49 N -1.52 1.85 0.21 -0.60 0.00 -1.26 -4.21 117.38 111.85 2j4m n GLN 49 Ca 0.04 -1.31 0.12 0.00 -0.00 0.00 0.00 57.00 55.84 2j4m n GLN 49 Cb 0.54 -1.32 0.62 0.00 0.00 0.00 0.00 30.24 30.08 2j4m n GLN 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2j4m h GLY 50 N 5.13 0.00 -1.12 1.69 0.00 -1.91 -3.36 103.07 103.50 2j4m h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j4m h GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2j4m n ASN 51 N -2.38 -1.21 0.12 0.19 5.15 -1.26 -4.97 115.26 110.89 2j4m n ASN 51 Ca -0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.96 2j4m n ASN 51 Cb 0.19 -0.30 0.01 0.00 -0.53 0.00 0.00 39.78 39.15 2j4m n ASN 51 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2j4m h GLU 52 N 0.00 0.00 0.00 1.20 5.08 -1.87 -3.48 114.58 115.51 2j4m h GLU 52 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2j4m h GLU 52 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2j4m h GLU 52 CO 0.00 0.66 0.00 0.45 -1.00 0.00 0.00 179.01 179.12 2j4m n SER 53 N -3.32 0.00 -4.00 1.42 2.88 -1.26 -5.10 113.62 104.24 2j4m n SER 53 Ca 0.01 -0.73 -0.09 0.00 -1.33 0.00 0.00 58.87 56.72 2j4m n SER 53 Cb 0.78 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.18 2j4m n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4m s THR 55 N -4.02 4.30 -0.40 0.00 2.01 -0.26 -4.17 115.64 113.11 2j4m s THR 55 Ca 0.23 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2j4m s THR 55 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2j4m s THR 55 CO 0.08 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 2j4m n GLY 56 N -2.22 0.65 0.00 4.40 0.00 -1.26 -2.93 105.19 103.84 2j4m n GLY 56 Ca 0.01 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.73 2j4m n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2j4m n ASN 57 N 0.39 0.00 -0.92 1.61 3.02 -1.26 -2.23 115.26 115.87 2j4m n ASN 57 Ca -0.04 -1.16 0.12 0.00 -0.03 0.00 0.00 54.58 53.47 2j4m n ASN 57 Cb 0.19 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.57 2j4m n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4m n GLY 58 N 0.83 1.02 2.09 7.41 0.00 -1.26 -4.84 105.19 110.44 2j4m n GLY 58 Ca 0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2j4m n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j4m n SER 59 N 1.17 -2.11 -4.42 1.61 7.64 -1.17 -5.16 113.62 111.18 2j4m n SER 59 Ca 0.16 0.45 -0.20 0.00 1.01 0.00 0.00 58.87 60.29 2j4m n SER 59 Cb 0.55 2.21 0.10 0.00 -1.01 0.00 0.00 64.21 66.05 2j4m n SER 59 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2j4m n TYR 60 N -2.97 -2.82 -2.30 1.43 4.02 -0.95 -5.12 117.16 108.46 2j4m n TYR 60 Ca 0.00 -1.69 -0.26 0.00 -0.01 0.00 0.00 57.90 55.94 2j4m n TYR 60 Cb 0.00 -0.63 0.12 0.00 -0.02 0.00 0.00 39.34 38.81 2j4m n TYR 60 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2j4m s PRO 61 N -4.76 1.56 0.51 -0.72 0.04 -1.26 -4.12 135.00 126.26 2j4m s PRO 61 Ca 0.59 -0.67 -0.18 0.00 0.04 0.00 0.00 61.00 60.79 2j4m s PRO 61 Cb -0.04 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 2j4m s PRO 61 CO 0.39 -1.63 1.01 0.00 0.04 0.00 0.00 177.00 176.80 2j4m n ASN 64 N -4.55 -0.00 -4.61 0.00 5.15 -1.26 -4.97 115.26 105.02 2j4m n ASN 64 Ca -0.12 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.52 2j4m n ASN 64 Cb 0.38 -0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.52 2j4m n ASN 64 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2j4m s THR 65 N -2.13 3.80 -0.43 -0.44 -1.32 -1.26 -4.95 115.64 108.92 2j4m s THR 65 Ca 0.00 -0.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.94 2j4m s THR 65 Cb 0.00 -2.59 0.23 0.00 -1.51 0.00 0.00 72.50 68.63 2j4m s THR 65 CO 0.00 0.54 2.17 0.00 -2.21 0.00 0.00 174.62 175.12 2j4m s GLN 67 N -2.25 1.51 -0.94 0.00 -0.44 -1.26 -5.03 119.66 111.25 2j4m s GLN 67 Ca 0.43 -2.19 -0.20 0.00 -2.50 0.00 0.00 55.36 50.90 2j4m s GLN 67 Cb 0.33 -2.69 0.10 0.00 -1.64 0.00 0.00 33.01 29.11 2j4m s GLN 67 CO -0.06 -1.13 1.21 0.00 0.50 0.00 0.00 175.29 175.81 2j4m s ALA 68 N 0.18 3.16 0.53 1.58 0.00 -1.26 -4.41 121.76 121.55 2j4m s ALA 68 Ca 0.17 -2.57 0.40 0.00 0.00 0.00 0.00 51.96 49.96 2j4m s ALA 68 Cb -0.25 -4.18 2.08 0.00 0.00 0.00 0.00 23.12 20.78 2j4m s ALA 68 CO -0.01 -3.16 2.26 0.00 0.00 0.00 0.00 175.76 174.86 2j4m h THR 69 N 6.12 0.11 -2.50 0.00 1.03 -1.38 -3.43 112.91 112.85 2j4m h THR 69 Ca 0.14 -0.15 -0.09 0.00 -0.01 0.00 0.00 66.41 66.30 2j4m h THR 69 Cb 1.02 1.13 -0.23 0.00 -1.07 0.00 0.00 68.15 69.00 2j4m h THR 69 CO 1.20 0.01 -0.12 -0.72 -0.01 0.00 0.00 175.52 175.89 2j4m s TYR 70 N -4.11 -0.56 -0.05 0.00 1.13 -0.61 -5.02 117.35 108.14 2j4m s TYR 70 Ca -0.04 1.37 0.06 0.00 -1.41 0.00 0.00 57.07 57.06 2j4m s TYR 70 Cb 0.12 0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 41.16 2j4m s TYR 70 CO 0.47 -0.27 -0.22 0.99 -2.51 0.00 0.00 175.55 174.00 2j4m s THR 71 N 0.28 2.33 0.00 -3.49 2.01 -1.26 0.19 115.64 115.69 2j4m s THR 71 Ca -0.00 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2j4m s THR 71 Cb -0.04 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.62 2j4m s THR 71 CO 0.01 0.58 0.00 0.47 -0.69 0.00 0.00 174.62 174.98 2j4m n ASP 72 N 2.65 1.84 0.00 3.53 8.00 0.19 -4.96 116.55 127.79 2j4m n ASP 72 Ca -0.17 -0.64 0.09 0.00 0.71 0.00 0.00 54.79 54.78 2j4m n ASP 72 Cb 0.52 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 42.14 2j4m n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4m n GLY 73 N 4.59 -0.56 0.21 0.44 0.00 -1.26 -2.18 105.19 106.44 2j4m n GLY 73 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.93 2j4m n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j4m n ASP 74 N -0.99 2.08 0.00 1.61 8.00 -1.26 -5.11 116.55 120.89 2j4m n ASP 74 Ca 0.13 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.84 2j4m n ASP 74 Cb 0.06 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2j4m n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4m n GLY 75 N -0.05 0.45 3.94 0.44 0.00 -0.92 -4.82 105.19 104.23 2j4m n GLY 75 Ca 0.04 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 2j4m n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j4m s ASP 76 N -4.00 5.25 -0.01 1.61 1.01 -1.26 0.54 116.67 119.81 2j4m s ASP 76 Ca 0.00 0.34 -0.20 0.00 0.71 0.00 0.00 52.55 53.40 2j4m s ASP 76 Cb 0.00 -1.21 0.04 0.00 1.01 0.00 0.00 42.92 42.76 2j4m s ASP 76 CO 0.00 -1.23 0.44 0.26 0.21 0.00 0.00 175.17 174.85 2j4m s TRP 77 N -2.96 -0.34 0.21 4.23 0.52 0.49 -3.50 118.94 117.60 2j4m s TRP 77 Ca 0.56 0.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.17 2j4m s TRP 77 Cb -0.10 0.22 -0.03 0.00 -1.15 0.00 0.00 33.47 32.40 2j4m s TRP 77 CO 0.42 -0.50 0.20 0.00 0.02 0.00 0.00 176.95 177.09 2j4m s ALA 78 N -1.56 0.92 -0.25 0.98 0.00 -0.83 -0.87 121.76 120.14 2j4m s ALA 78 Ca -0.11 -1.55 -0.00 0.00 0.00 0.00 0.00 51.96 50.30 2j4m s ALA 78 Cb -0.03 1.33 0.07 0.00 0.00 0.00 0.00 23.12 24.50 2j4m s ALA 78 CO 0.04 -0.64 0.01 0.12 0.00 0.00 0.00 175.76 175.29 2j4m s PHE 79 N -4.11 2.06 0.09 0.00 5.36 -1.26 -1.76 117.98 118.37 2j4m s PHE 79 Ca 0.36 -1.67 0.02 0.00 -0.96 0.00 0.00 56.93 54.68 2j4m s PHE 79 Cb 0.05 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 2j4m s PHE 79 CO 0.12 -0.78 -0.08 -1.83 -1.46 0.00 0.00 175.22 171.19 2j4m s GLU 80 N 1.50 0.79 -1.77 10.12 4.04 -1.08 -4.78 118.70 127.54 2j4m s GLU 80 Ca 0.01 -1.20 0.00 0.00 0.04 0.00 0.00 54.97 53.82 2j4m s GLU 80 Cb -0.18 -0.31 0.00 0.00 0.02 0.00 0.00 34.13 33.66 2j4m s GLU 80 CO -0.11 0.02 0.00 0.09 -1.84 0.00 0.00 175.26 173.42 2j4m n ASN 81 N 0.36 -4.73 -2.28 0.83 3.02 -1.26 -1.20 115.26 110.00 2j4m n ASN 81 Ca -0.15 0.34 -0.15 0.00 -0.03 0.00 0.00 54.58 54.60 2j4m n ASN 81 Cb 0.59 -4.18 0.04 0.00 -0.61 0.00 0.00 39.78 35.62 2j4m n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4m n GLY 82 N -0.47 0.00 3.31 7.41 0.00 -1.26 -5.03 105.19 109.15 2j4m n GLY 82 Ca -0.18 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2j4m n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4m s ASN 83 N -3.09 -0.45 -0.76 1.61 4.22 -0.34 -5.10 114.94 111.03 2j4m s ASN 83 Ca 0.31 0.86 -0.26 0.00 -2.14 0.00 0.00 52.86 51.63 2j4m s ASN 83 Cb -0.14 0.85 0.00 0.00 1.28 0.00 0.00 41.25 43.24 2j4m s ASN 83 CO 0.39 -0.15 1.64 0.26 -2.04 0.00 0.00 177.10 177.20 2j4m s TRP 84 N 0.40 2.00 0.47 1.54 0.52 -1.26 -2.62 118.94 119.99 2j4m s TRP 84 Ca -0.01 0.27 0.07 0.00 0.02 0.00 0.00 56.10 56.45 2j4m s TRP 84 Cb -0.04 -4.33 0.01 0.00 -1.15 0.00 0.00 33.47 27.96 2j4m s TRP 84 CO -0.01 -2.09 0.43 0.00 0.02 0.00 0.00 176.95 175.30 2j4m s GLY 86 N -4.23 1.79 0.26 0.00 0.00 -1.15 -1.96 107.32 102.03 2j4m s GLY 86 Ca 0.45 -0.92 -0.31 0.00 0.00 0.00 0.00 44.72 43.94 2j4m s GLY 86 CO 0.27 -0.74 1.51 1.39 0.00 0.00 0.00 173.10 175.53 2j4m n ILE 87 N 1.81 0.93 -1.59 0.90 -0.00 -1.23 -2.93 119.36 117.25 2j4m n ILE 87 Ca -0.16 -0.23 -0.36 0.00 -0.00 0.00 0.00 62.75 61.99 2j4m n ILE 87 Cb 0.53 -1.72 0.08 0.00 -0.00 0.00 0.00 39.64 38.53 2j4m n ILE 87 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2j4m s LYS 88 N -0.36 2.32 0.33 0.38 -0.14 -1.26 -1.10 119.74 119.91 2j4m s LYS 88 Ca 0.67 1.98 0.24 0.00 -1.36 0.00 0.00 55.97 57.50 2j4m s LYS 88 Cb -0.57 -1.83 1.18 0.00 -1.68 0.00 0.00 37.83 34.93 2j4m s LYS 88 CO 0.48 -1.75 1.74 -0.97 -0.76 0.00 0.00 175.35 174.09 2j4m h ASN 89 N 0.17 0.00 0.90 2.83 -1.24 -1.67 -0.91 115.58 115.66 2j4m h ASN 89 Ca -0.50 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.38 2j4m h ASN 89 Cb 1.33 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.35 2j4m h ASN 89 CO 0.51 0.00 -1.18 -1.28 -1.29 0.00 0.00 177.43 174.20 2j4m h SER 90 N 0.00 0.00 -1.12 1.15 0.87 -1.78 -3.37 113.55 109.29 2j4m h SER 90 Ca 0.00 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.88 2j4m h SER 90 Cb 0.17 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.99 2j4m h SER 90 CO 0.00 0.47 1.93 0.00 -0.53 0.00 0.00 176.83 178.70 2j4m n LYS 92 N 1.53 0.00 -3.66 0.00 2.85 -1.26 -4.75 118.16 112.87 2j4m n LYS 92 Ca 0.59 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.78 2j4m n LYS 92 Cb 0.32 -0.23 -0.08 0.00 -0.65 0.00 0.00 35.03 34.40 2j4m n LYS 92 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2j4m s GLN 93 N -1.67 0.54 -0.01 -1.58 -0.21 -1.26 -5.07 119.66 110.40 2j4m s GLN 93 Ca 0.00 1.12 -0.23 0.00 0.02 0.00 0.00 55.36 56.27 2j4m s GLN 93 Cb 0.00 0.25 -0.15 0.00 1.00 0.00 0.00 33.01 34.11 2j4m s GLN 93 CO 0.00 -0.18 1.04 1.96 -2.12 0.00 0.00 175.29 176.00 2j4m h GLN 94 N 7.38 -0.48 -3.08 2.91 4.20 -1.99 -3.32 115.11 120.72 2j4m h GLN 94 Ca -0.28 0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.25 2j4m h GLN 94 Cb 1.18 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2j4m h GLN 94 CO 0.18 -0.17 1.35 -0.35 -0.67 0.00 0.00 178.83 179.17 2j4m n PRO 95 N -5.15 1.40 -1.81 1.46 -0.04 -1.26 -4.85 135.00 124.75 2j4m n PRO 95 Ca -0.09 -0.94 -0.25 0.00 -0.04 0.00 0.00 63.50 62.18 2j4m n PRO 95 Cb 0.28 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 2j4m n PRO 95 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2j4m s GLN 96 N 2.95 2.15 0.00 0.54 -2.07 -1.25 -4.13 119.66 117.85 2j4m s GLN 96 Ca 0.33 0.36 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 2j4m s GLN 96 Cb 0.11 -4.80 0.00 0.00 -1.09 0.00 0.00 33.01 27.23 2j4m s GLN 96 CO -0.02 -3.66 0.00 0.27 -1.32 0.00 0.00 175.29 170.56 2j4m n ASN 97 N 15.78 0.00 -4.54 12.60 6.94 -1.26 -4.83 115.26 139.95 2j4m n ASN 97 Ca 0.39 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.55 2j4m n ASN 97 Cb 0.47 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.84 2j4m n ASN 97 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2j4m n ASN 98 N 2.05 2.27 -4.34 0.53 3.02 -1.26 -4.91 115.26 112.62 2j4m n ASN 98 Ca 0.00 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.01 2j4m n ASN 98 Cb 0.00 -1.45 -0.09 0.00 -0.61 0.00 0.00 39.78 37.63 2j4m n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2j4m s ASN 99 N 10.17 5.92 0.00 6.41 0.01 -1.26 -4.75 114.94 131.44 2j4m s ASN 99 Ca 1.05 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 2j4m s ASN 99 Cb -0.45 -2.09 0.03 0.00 0.41 0.00 0.00 41.25 39.14 2j4m s ASN 99 CO 0.35 -0.59 0.53 0.00 -1.51 0.00 0.00 177.10 175.88