#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 0.39 -0.03 0.00 1.75 -1.15 -4.97 119.30 115.29 2j4n s MET 2 Ca 0.00 -0.18 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 2j4n s MET 2 Cb 0.00 0.03 0.07 0.00 2.84 0.00 0.00 34.83 37.77 2j4n s MET 2 CO 0.00 -0.55 1.06 0.00 -0.65 0.00 0.00 175.02 174.88 2j4n n ALA 3 N 3.69 3.59 -1.78 4.11 0.00 0.64 -4.90 120.51 125.87 2j4n n ALA 3 Ca 0.08 -0.85 -0.38 0.00 0.00 0.00 0.00 53.44 52.30 2j4n n ALA 3 Cb 0.62 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 2j4n n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j4n n TRP 5 N 0.47 0.67 0.13 0.00 4.27 -1.26 -2.92 117.44 118.79 2j4n n TRP 5 Ca 0.02 0.22 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 2j4n n TRP 5 Cb 0.49 -0.86 0.09 0.00 -1.36 0.00 0.00 31.31 29.67 2j4n n TRP 5 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2j4n h ALA 6 N 2.50 0.72 0.00 -1.67 0.00 -1.92 -3.13 119.26 115.76 2j4n h ALA 6 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2j4n h ALA 6 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2j4n h ALA 6 CO 0.00 0.78 -0.23 -0.56 0.00 0.00 0.00 179.25 179.24 2j4n h GLN 7 N 0.00 0.00 -0.27 0.00 -0.00 -1.62 -2.47 115.11 110.75 2j4n h GLN 7 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.72 2j4n h GLN 7 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.78 2j4n h GLN 7 CO 0.08 0.23 0.33 1.03 -0.00 0.00 0.00 178.83 180.50 2j4n h SER 8 N 0.00 0.00 0.06 0.06 0.87 -1.68 -0.56 113.55 112.30 2j4n h SER 8 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2j4n h SER 8 Cb 0.77 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.67 2j4n h SER 8 CO 0.03 0.00 -2.29 0.00 -0.53 0.00 0.00 176.83 174.04 2j4n n GLN 9 N -3.66 0.68 0.00 2.24 6.02 -1.12 -4.99 117.38 116.55 2j4n n GLN 9 Ca 0.04 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2j4n n GLN 9 Cb 0.47 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2j4n n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j4n n GLY 10 N 1.71 0.73 0.47 1.08 0.00 -0.22 -5.15 105.19 103.81 2j4n n GLY 10 Ca -0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.74 -4.39 1.61 4.01 -0.95 -4.87 117.16 109.83 2j4n n TYR 11 Ca 0.00 -0.13 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 2j4n n TYR 11 Cb 0.00 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 38.76 2j4n n TYR 11 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2j4n s ASN 12 N -2.02 2.36 0.10 7.72 0.01 -1.26 -3.76 114.94 118.09 2j4n s ASN 12 Ca 0.10 -1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 50.72 2j4n s ASN 12 Cb -0.01 -0.09 -0.06 0.00 0.41 0.00 0.00 41.25 41.50 2j4n s ASN 12 CO 0.08 -0.44 1.09 0.00 -1.51 0.00 0.00 177.10 176.32 2j4n n ASN 15 N 7.16 -3.16 -4.05 0.00 5.15 -1.26 -2.01 115.26 117.09 2j4n n ASN 15 Ca 0.17 0.67 -0.31 0.00 -0.60 0.00 0.00 54.58 54.51 2j4n n ASN 15 Cb 0.48 -0.81 -0.03 0.00 -0.53 0.00 0.00 39.78 38.89 2j4n n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2j4n n ASN 16 N 2.29 -1.03 0.13 1.20 0.23 -1.26 -4.81 115.26 112.01 2j4n n ASN 16 Ca 0.09 -1.13 0.10 0.00 -0.53 0.00 0.00 54.58 53.11 2j4n n ASN 16 Cb 0.42 -2.47 0.49 0.00 -2.08 0.00 0.00 39.78 36.14 2j4n n ASN 16 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2j4n n PRO 17 N -4.52 0.15 0.03 -0.53 -0.04 -0.85 -2.03 135.00 127.20 2j4n n PRO 17 Ca -0.26 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2j4n n PRO 17 Cb 0.66 -1.86 0.34 0.00 -0.04 0.00 0.00 33.50 32.60 2j4n n PRO 17 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2j4n n SER 18 N -2.16 0.13 0.00 3.54 7.64 -1.26 -2.90 113.62 118.61 2j4n n SER 18 Ca 0.01 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2j4n n SER 18 Cb 0.13 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2j4n n SER 18 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2j4n n SER 19 N -1.64 0.32 -4.77 6.43 2.88 -0.86 -5.00 113.62 110.97 2j4n n SER 19 Ca 0.03 -1.13 -0.38 0.00 -1.33 0.00 0.00 58.87 56.07 2j4n n SER 19 Cb 0.18 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.13 3.13 -0.35 2.46 2.01 -1.08 -4.99 115.64 116.68 2j4n s THR 20 Ca 0.00 0.89 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 2j4n s THR 20 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2j4n s THR 20 CO 0.00 0.03 0.66 -0.75 -0.69 0.00 0.00 174.62 173.87 2j4n s LYS 21 N -2.51 3.70 -0.76 4.92 2.36 -1.26 -5.00 119.74 121.18 2j4n s LYS 21 Ca 0.60 0.10 -0.20 0.00 -2.55 0.00 0.00 55.97 53.93 2j4n s LYS 21 Cb -0.29 -3.81 0.11 0.00 -1.05 0.00 0.00 37.83 32.79 2j4n s LYS 21 CO 0.36 -0.75 0.97 0.08 1.55 0.00 0.00 175.35 177.56 2j4n s VAL 22 N 2.76 4.64 -2.30 4.02 1.01 -1.26 -4.12 120.40 125.15 2j4n s VAL 22 Ca 0.25 -1.07 0.28 0.00 0.00 0.00 0.00 61.98 61.45 2j4n s VAL 22 Cb -0.14 -4.67 0.56 0.00 0.00 0.00 0.00 36.38 32.12 2j4n s VAL 22 CO 0.15 -1.39 1.79 -1.84 0.00 0.00 0.00 175.10 173.81 2j4n n GLU 23 N 6.80 1.43 -4.05 2.72 0.28 -1.12 -4.87 120.64 121.84 2j4n n GLU 23 Ca 0.07 -0.75 -0.11 0.00 -0.16 0.00 0.00 57.16 56.21 2j4n n GLU 23 Cb 0.46 -1.48 -0.11 0.00 1.43 0.00 0.00 31.44 31.74 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 -2.08 0.53 -0.30 -1.84 5.04 -1.11 -5.06 117.35 112.53 2j4n s TYR 24 Ca 0.37 -0.63 -0.08 0.00 -2.44 0.00 0.00 57.07 54.29 2j4n s TYR 24 Cb 0.21 -0.34 0.15 0.00 0.35 0.00 0.00 41.96 42.33 2j4n s TYR 24 CO 0.37 -0.17 0.67 0.99 -1.34 0.00 0.00 175.55 176.07 2j4n s THR 25 N -2.00 -0.95 0.00 4.34 2.01 -1.26 -2.12 115.64 115.65 2j4n s THR 25 Ca -0.07 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2j4n s THR 25 Cb -0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2j4n s THR 25 CO -0.02 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.24 2j4n n ASP 26 N 5.42 1.74 -0.00 3.53 4.64 -1.05 -5.00 116.55 125.82 2j4n n ASP 26 Ca -0.09 -0.10 0.11 0.00 -1.38 0.00 0.00 54.79 53.34 2j4n n ASP 26 Cb 0.50 0.00 0.66 0.00 -1.04 0.00 0.00 41.12 41.24 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 2.63 -0.04 -1.67 0.00 -1.26 -2.95 120.51 114.22 2j4n n ALA 27 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 2j4n n ALA 27 Cb 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 2j4n n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2j4n n SER 28 N -0.84 0.14 0.00 0.00 2.88 -1.26 -5.09 113.62 109.45 2j4n n SER 28 Ca 0.17 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2j4n n SER 28 Cb 0.08 1.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.80 2j4n n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2j4n n GLY 29 N 1.50 0.32 3.26 0.46 0.00 -1.15 -5.02 105.19 104.56 2j4n n GLY 29 Ca -0.18 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 1.24 0.05 1.61 -0.21 -1.26 -2.52 119.66 118.58 2j4n s GLN 30 Ca 0.00 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.37 2j4n s GLN 30 Cb 0.00 -1.42 -0.03 0.00 1.00 0.00 0.00 33.01 32.56 2j4n s GLN 30 CO 0.00 0.35 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.86 2j4n s TRP 31 N -0.97 0.71 -0.03 0.91 0.52 -0.90 -1.66 118.94 117.52 2j4n s TRP 31 Ca 0.07 -0.57 -0.29 0.00 0.02 0.00 0.00 56.10 55.32 2j4n s TRP 31 Cb -0.09 -0.42 0.08 0.00 -1.15 0.00 0.00 33.47 31.89 2j4n s TRP 31 CO 0.03 -0.09 0.74 0.20 0.02 0.00 0.00 176.95 177.85 2j4n s GLY 32 N -1.82 -0.52 -0.35 0.98 0.00 0.22 -2.76 107.32 103.06 2j4n s GLY 32 Ca -0.06 1.30 -0.16 0.00 0.00 0.00 0.00 44.72 45.79 2j4n s GLY 32 CO -0.00 0.80 0.41 0.14 0.00 0.00 0.00 173.10 174.44 2j4n s VAL 33 N -1.72 5.12 -0.10 1.40 1.01 -1.26 -2.19 120.40 122.66 2j4n s VAL 33 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2j4n s VAL 33 Cb -0.00 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2j4n s VAL 33 CO 0.03 -0.16 -0.21 -1.58 0.00 0.00 0.00 175.10 173.18 2j4n s GLN 34 N 2.12 2.70 -1.72 2.72 0.74 -0.88 -4.67 119.66 120.66 2j4n s GLN 34 Ca 0.13 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 2j4n s GLN 34 Cb -0.16 -2.10 0.00 0.00 1.10 0.00 0.00 33.01 31.85 2j4n s GLN 34 CO 0.12 0.10 0.16 -1.71 -0.55 0.00 0.00 175.29 173.41 2j4n n ASN 35 N 3.72 -5.95 -2.47 6.67 5.15 -1.26 -2.33 115.26 118.80 2j4n n ASN 35 Ca -0.20 -0.09 -0.12 0.00 -0.60 0.00 0.00 54.58 53.58 2j4n n ASN 35 Cb 0.52 -4.91 0.05 0.00 -0.53 0.00 0.00 39.78 34.91 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 -1.15 -0.03 3.54 8.20 0.00 -1.26 -5.04 105.19 109.46 2j4n n GLY 36 Ca -0.21 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 2j4n n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4n s GLN 37 N -5.17 0.59 0.43 1.61 -0.21 -0.98 -5.15 119.66 110.78 2j4n s GLN 37 Ca 0.12 1.18 -0.25 0.00 0.02 0.00 0.00 55.36 56.43 2j4n s GLN 37 Cb -0.05 0.28 -0.08 0.00 1.00 0.00 0.00 33.01 34.15 2j4n s GLN 37 CO 0.45 -0.17 1.29 -1.58 -2.12 0.00 0.00 175.29 173.16 2j4n s TRP 38 N 1.94 2.75 -0.24 0.91 0.23 -1.26 -2.08 118.94 121.18 2j4n s TRP 38 Ca -0.08 1.42 -0.29 0.00 -2.03 0.00 0.00 56.10 55.12 2j4n s TRP 38 Cb -0.08 -3.64 0.17 0.00 0.03 0.00 0.00 33.47 29.95 2j4n s TRP 38 CO -0.18 -2.11 1.23 0.00 0.96 0.00 0.00 176.95 176.86 2j4n s GLY 40 N -0.94 2.03 -0.74 0.00 0.00 -1.17 -0.61 107.32 105.88 2j4n s GLY 40 Ca 0.05 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.64 2j4n s GLY 40 CO -0.05 0.34 1.01 -0.42 0.00 0.00 0.00 173.10 173.99 2j4n s ILE 41 N -2.58 4.44 -0.52 0.90 1.09 -0.67 -3.01 121.20 120.85 2j4n s ILE 41 Ca 0.57 -0.73 0.03 0.00 -1.10 0.00 0.00 60.65 59.43 2j4n s ILE 41 Cb -0.10 -4.72 0.13 0.00 -1.06 0.00 0.00 42.46 36.71 2j4n s ILE 41 CO 0.32 -1.48 0.26 -1.81 -0.10 0.00 0.00 174.94 172.14 2j4n s ASP 42 N 3.71 4.43 0.56 3.58 1.11 -1.26 -4.76 116.67 124.04 2j4n s ASP 42 Ca 0.25 -2.95 0.36 0.00 0.18 0.00 0.00 52.55 50.39 2j4n s ASP 42 Cb -0.13 -1.66 1.51 0.00 1.07 0.00 0.00 42.92 43.70 2j4n s ASP 42 CO 0.04 -0.25 1.77 1.88 1.18 0.00 0.00 175.17 179.78 2j4n h TYR 43 N 6.61 0.00 -1.49 4.23 0.99 -1.93 0.46 116.97 125.85 2j4n h TYR 43 Ca -0.07 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.06 2j4n h TYR 43 Cb 0.90 0.00 -0.41 0.00 1.00 0.00 0.00 36.73 38.22 2j4n h TYR 43 CO 0.54 0.00 -0.63 0.43 -0.00 0.00 0.00 178.16 178.49 2j4n n SER 44 N -4.02 4.89 0.00 3.88 7.64 -1.26 -4.81 113.62 119.93 2j4n n SER 44 Ca 0.24 -3.73 0.05 0.00 1.01 0.00 0.00 58.87 56.44 2j4n n SER 44 Cb 1.23 -0.49 0.24 0.00 -1.01 0.00 0.00 64.21 64.19 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 -0.50 0.00 0.00 1.43 4.11 0.16 -4.76 117.16 117.60 2j4n n TYR 45 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.30 2j4n n TYR 45 Cb 0.66 -0.40 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 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 -0.42 0.97 3.87 -7.48 0.00 -1.26 0.24 105.19 101.11 2j4n n GLY 46 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2j4n n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4n s GLN 47 N 0.06 3.56 1.26 1.61 -0.21 -1.26 0.11 119.66 124.79 2j4n s GLN 47 Ca 0.00 -0.00 -0.19 0.00 0.02 0.00 0.00 55.36 55.19 2j4n s GLN 47 Cb 0.00 -3.19 0.28 0.00 1.00 0.00 0.00 33.01 31.10 2j4n s GLN 47 CO 0.00 0.75 0.64 0.09 -2.12 0.00 0.00 175.29 174.64 2j4n n ASN 48 N 1.86 -3.34 -1.83 5.90 3.02 -1.26 -4.85 115.26 114.75 2j4n n ASN 48 Ca -0.18 -0.56 -0.16 0.00 -0.03 0.00 0.00 54.58 53.65 2j4n n ASN 48 Cb 0.54 -0.95 0.06 0.00 -0.61 0.00 0.00 39.78 38.82 2j4n n ASN 48 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2j4n n GLN 49 N -4.06 1.80 -0.28 3.52 0.00 -1.26 -4.43 117.38 112.67 2j4n n GLN 49 Ca 0.08 -1.66 0.04 0.00 -0.00 0.00 0.00 57.00 55.47 2j4n n GLN 49 Cb 0.51 -1.65 0.16 0.00 0.00 0.00 0.00 30.24 29.26 2j4n n GLN 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2j4n n GLY 50 N 0.05 1.35 2.75 1.69 0.00 -1.26 -4.54 105.19 105.23 2j4n n GLY 50 Ca 0.32 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2j4n n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j4n n ASN 51 N 0.36 -4.14 0.10 1.61 2.85 -1.26 -4.93 115.26 109.84 2j4n n ASN 51 Ca 0.11 -0.35 -0.05 0.00 -0.11 0.00 0.00 54.58 54.19 2j4n n ASN 51 Cb 0.47 -3.36 0.04 0.00 1.24 0.00 0.00 39.78 38.18 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 -1.59 0.06 0.00 1.20 5.08 -1.90 -3.48 114.58 113.94 2j4n h GLU 52 Ca -0.36 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2j4n h GLU 52 Cb 1.23 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2j4n h GLU 52 CO 0.34 0.81 0.02 0.45 -1.00 0.00 0.00 179.01 179.63 2j4n n SER 53 N -3.64 -0.14 -4.21 1.42 2.88 -1.26 -5.05 113.62 103.62 2j4n n SER 53 Ca -0.01 -1.10 -0.12 0.00 -1.33 0.00 0.00 58.87 56.31 2j4n n SER 53 Cb 0.75 0.23 -0.10 0.00 -0.75 0.00 0.00 64.21 64.35 2j4n n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4n s THR 55 N -3.91 3.39 -0.18 0.00 2.01 -0.33 -4.37 115.64 112.26 2j4n s THR 55 Ca 0.29 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2j4n s THR 55 Cb 0.07 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2j4n s THR 55 CO 0.07 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2j4n n GLY 56 N -2.22 0.53 0.00 4.40 0.00 -1.26 -3.13 105.19 103.51 2j4n n GLY 56 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.56 2j4n n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2j4n n ASN 57 N 0.80 0.00 0.11 1.61 3.02 -1.26 -2.10 115.26 117.45 2j4n n ASN 57 Ca -0.02 -1.53 -0.01 0.00 -0.03 0.00 0.00 54.58 52.99 2j4n n ASN 57 Cb 0.09 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2j4n n ASN 57 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2j4n h GLY 58 N 5.02 0.00 0.00 7.41 0.00 -1.95 -3.45 103.07 110.11 2j4n h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j4n h GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.28 2j4n n SER 59 N -3.36 0.00 -4.80 0.19 2.88 -1.20 -5.15 113.62 102.18 2j4n n SER 59 Ca 0.01 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2j4n n SER 59 Cb 0.78 0.05 0.10 0.00 -0.75 0.00 0.00 64.21 64.39 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 -1.10 1.21 0.13 0.66 1.51 -0.89 -5.13 117.35 113.75 2j4n s TYR 60 Ca 0.00 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2j4n s TYR 60 Cb 0.00 -2.65 0.03 0.00 -0.11 0.00 0.00 41.96 39.23 2j4n s TYR 60 CO 0.00 -1.62 0.18 -0.35 -1.11 0.00 0.00 175.55 172.65 2j4n n PRO 61 N -2.65 0.34 -3.50 -1.71 -0.04 -1.26 -4.02 135.00 122.16 2j4n n PRO 61 Ca 0.17 -0.44 -0.33 0.00 -0.04 0.00 0.00 63.50 62.86 2j4n n PRO 61 Cb 0.61 -0.14 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 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 -3.97 0.00 -4.81 0.00 6.94 -1.26 -4.98 115.26 107.19 2j4n n ASN 64 Ca -0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 2j4n n ASN 64 Cb 0.02 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.38 2j4n n ASN 64 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2j4n s THR 65 N -2.00 4.94 -0.45 5.53 -1.32 -1.26 -4.93 115.64 116.15 2j4n s THR 65 Ca 0.00 -0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.20 2j4n s THR 65 Cb 0.00 -3.24 0.30 0.00 -1.51 0.00 0.00 72.50 68.04 2j4n s THR 65 CO 0.00 0.40 2.04 0.00 -2.21 0.00 0.00 174.62 174.85 2j4n s GLN 67 N -2.53 1.80 -0.97 0.00 -0.44 -1.26 -5.03 119.66 111.23 2j4n s GLN 67 Ca 0.43 -2.44 -0.19 0.00 -2.50 0.00 0.00 55.36 50.66 2j4n s GLN 67 Cb 0.34 -3.12 0.12 0.00 -1.64 0.00 0.00 33.01 28.71 2j4n s GLN 67 CO -0.01 -1.10 1.22 0.00 0.50 0.00 0.00 175.29 175.89 2j4n s ALA 68 N -0.06 3.30 0.55 1.58 0.00 -1.26 -4.40 121.76 121.47 2j4n s ALA 68 Ca 0.17 -2.73 0.38 0.00 0.00 0.00 0.00 51.96 49.77 2j4n s ALA 68 Cb -0.25 -4.15 2.04 0.00 0.00 0.00 0.00 23.12 20.76 2j4n s ALA 68 CO -0.01 -3.08 2.26 0.00 0.00 0.00 0.00 175.76 174.93 2j4n h THR 69 N 5.90 0.20 -2.46 0.00 1.03 -1.50 -3.43 112.91 112.66 2j4n h THR 69 Ca 0.18 -0.14 -0.09 0.00 -0.01 0.00 0.00 66.41 66.36 2j4n h THR 69 Cb 1.01 1.11 -0.22 0.00 -1.07 0.00 0.00 68.15 68.97 2j4n h THR 69 CO 1.18 0.02 -0.09 -0.72 -0.01 0.00 0.00 175.52 175.90 2j4n s TYR 70 N -4.21 -0.56 -0.03 0.00 -0.85 -0.67 -5.03 117.35 106.00 2j4n s TYR 70 Ca -0.04 1.33 0.06 0.00 -0.52 0.00 0.00 57.07 57.90 2j4n s TYR 70 Cb 0.13 0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 2j4n s TYR 70 CO 0.48 -0.31 -0.22 0.99 -1.52 0.00 0.00 175.55 174.97 2j4n s THR 71 N 0.08 2.41 0.00 -3.49 2.01 -1.26 0.19 115.64 115.58 2j4n s THR 71 Ca -0.02 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2j4n s THR 71 Cb -0.04 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.60 2j4n s THR 71 CO 0.02 0.58 0.00 -0.67 -0.69 0.00 0.00 174.62 173.86 2j4n n ASP 72 N 2.39 1.76 0.00 3.53 4.64 0.16 -4.95 116.55 124.09 2j4n n ASP 72 Ca -0.16 -0.63 0.08 0.00 -1.38 0.00 0.00 54.79 52.69 2j4n n ASP 72 Cb 0.51 0.00 0.46 0.00 -1.04 0.00 0.00 41.12 41.05 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 4.41 -0.65 0.07 0.27 0.00 -1.26 -2.37 105.19 105.66 2j4n n GLY 73 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2j4n n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j4n n ASP 74 N -0.87 1.69 0.00 1.61 9.92 -1.26 -5.11 116.55 122.53 2j4n n ASP 74 Ca 0.12 -1.60 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 2j4n n ASP 74 Cb 0.05 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2j4n n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2j4n n GLY 75 N -0.18 0.49 3.94 0.44 0.00 -1.00 -4.79 105.19 104.08 2j4n n GLY 75 Ca 0.01 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.00 5.74 0.01 1.61 1.11 -1.26 0.39 116.67 120.27 2j4n s ASP 76 Ca 0.00 0.47 -0.14 0.00 0.18 0.00 0.00 52.55 53.07 2j4n s ASP 76 Cb 0.00 -1.61 0.02 0.00 1.07 0.00 0.00 42.92 42.40 2j4n s ASP 76 CO 0.00 -0.85 0.29 0.26 1.18 0.00 0.00 175.17 176.04 2j4n s TRP 77 N -2.74 -0.12 0.09 4.23 0.52 0.50 -3.13 118.94 118.28 2j4n s TRP 77 Ca 0.51 0.08 -0.09 0.00 0.02 0.00 0.00 56.10 56.62 2j4n s TRP 77 Cb -0.10 0.08 0.00 0.00 -1.15 0.00 0.00 33.47 32.30 2j4n s TRP 77 CO 0.41 -0.43 0.21 0.00 0.02 0.00 0.00 176.95 177.16 2j4n s ALA 78 N -1.90 -0.31 -0.43 0.98 0.00 -0.87 -1.10 121.76 118.13 2j4n s ALA 78 Ca -0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 2j4n s ALA 78 Cb -0.03 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.63 2j4n s ALA 78 CO 0.01 -0.51 0.30 0.12 0.00 0.00 0.00 175.76 175.68 2j4n s PHE 79 N -3.72 3.27 0.04 0.00 2.19 -1.26 -2.70 117.98 115.80 2j4n s PHE 79 Ca 0.04 -1.10 0.03 0.00 0.33 0.00 0.00 56.93 56.22 2j4n s PHE 79 Cb 0.04 -2.90 -0.02 0.00 -1.31 0.00 0.00 43.02 38.83 2j4n s PHE 79 CO -0.10 -0.77 -0.10 -2.00 1.83 0.00 0.00 175.22 174.08 2j4n s GLU 80 N 1.56 0.66 -1.65 10.12 2.56 -0.99 -4.77 118.70 126.19 2j4n s GLU 80 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2j4n s GLU 80 Cb -0.22 -0.56 0.00 0.00 2.00 0.00 0.00 34.13 35.35 2j4n s GLU 80 CO 0.05 0.13 0.00 0.09 -0.56 0.00 0.00 175.26 174.97 2j4n n ASN 81 N 1.80 -4.87 -1.60 -1.70 3.02 -1.26 -0.71 115.26 109.93 2j4n n ASN 81 Ca -0.20 0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.44 2j4n n ASN 81 Cb 0.55 -4.21 -0.01 0.00 -0.61 0.00 0.00 39.78 35.50 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 -0.66 -0.01 3.00 7.41 0.00 -1.26 -5.00 105.19 108.67 2j4n n GLY 82 Ca -0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.40 0.34 -0.91 1.61 2.20 0.11 -5.09 114.94 110.79 2j4n s ASN 83 Ca 0.00 -0.57 -0.23 0.00 -0.94 0.00 0.00 52.86 51.12 2j4n s ASN 83 Cb 0.00 0.11 0.06 0.00 -2.00 0.00 0.00 41.25 39.42 2j4n s ASN 83 CO 0.00 -0.33 1.30 0.26 -2.94 0.00 0.00 177.10 175.40 2j4n s TRP 84 N -1.78 2.60 0.28 1.54 0.23 -1.26 -2.33 118.94 118.22 2j4n s TRP 84 Ca -0.12 -0.75 0.09 0.00 -2.03 0.00 0.00 56.10 53.29 2j4n s TRP 84 Cb -0.08 -4.57 -0.04 0.00 0.03 0.00 0.00 33.47 28.81 2j4n s TRP 84 CO -0.02 -1.85 0.02 0.00 0.96 0.00 0.00 176.95 176.06 2j4n s GLY 86 N -3.70 1.53 0.25 0.00 0.00 -1.02 -2.06 107.32 102.32 2j4n s GLY 86 Ca 0.32 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 2j4n s GLY 86 CO 0.20 -0.63 1.00 -0.42 0.00 0.00 0.00 173.10 173.25 2j4n s ILE 87 N -2.32 3.84 0.34 0.90 1.09 -1.18 -0.78 121.20 123.08 2j4n s ILE 87 Ca 0.42 1.85 -0.28 0.00 -1.10 0.00 0.00 60.65 61.54 2j4n s ILE 87 Cb -0.10 -4.18 -0.10 0.00 -1.06 0.00 0.00 42.46 37.02 2j4n s ILE 87 CO 0.36 0.44 1.32 -0.54 -0.10 0.00 0.00 174.94 176.41 2j4n s LYS 88 N -1.27 4.31 0.64 2.79 -0.14 -1.26 -1.18 119.74 123.63 2j4n s LYS 88 Ca 0.42 2.23 0.35 0.00 -1.36 0.00 0.00 55.97 57.62 2j4n s LYS 88 Cb -0.28 -3.04 1.97 0.00 -1.68 0.00 0.00 37.83 34.80 2j4n s LYS 88 CO 0.36 -0.23 2.19 -2.95 -0.76 0.00 0.00 175.35 173.95 2j4n h ASN 89 N 3.30 0.00 1.55 2.83 -0.00 -1.76 0.45 115.58 121.95 2j4n h ASN 89 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.81 2j4n h ASN 89 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 2j4n h ASN 89 CO 0.65 0.00 0.00 -1.28 -0.00 0.00 0.00 177.43 176.80 2j4n h SER 90 N 0.00 0.00 -0.65 6.14 0.87 -1.80 -3.24 113.55 114.87 2j4n h SER 90 Ca 0.03 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.16 2j4n h SER 90 Cb 0.28 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.06 2j4n h SER 90 CO -0.00 0.00 0.53 0.00 -0.53 0.00 0.00 176.83 176.83 2j4n n LYS 92 N 0.07 0.00 -4.07 0.00 5.02 -1.22 -4.85 118.16 113.11 2j4n n LYS 92 Ca 0.39 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.58 2j4n n LYS 92 Cb 0.59 -0.30 -0.07 0.00 -0.02 0.00 0.00 35.03 35.23 2j4n n LYS 92 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2j4n s GLN 93 N -0.97 1.33 -0.21 1.97 -1.52 -1.26 -5.09 119.66 113.90 2j4n s GLN 93 Ca 0.00 -1.37 -0.20 0.00 -1.95 0.00 0.00 55.36 51.83 2j4n s GLN 93 Cb 0.00 0.37 -0.19 0.00 -0.22 0.00 0.00 33.01 32.98 2j4n s GLN 93 CO 0.00 -0.50 0.16 1.04 -0.25 0.00 0.00 175.29 175.74 2j4n n GLN 94 N -0.30 0.57 -0.73 2.91 6.02 -1.26 -4.37 117.38 120.22 2j4n n GLN 94 Ca -0.02 0.54 -0.07 0.00 -0.01 0.00 0.00 57.00 57.44 2j4n n GLN 94 Cb 0.64 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 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 -4.39 1.44 -2.43 -1.09 -0.05 -1.26 -4.89 135.00 122.33 2j4n n PRO 95 Ca -0.35 -0.67 -0.42 0.00 -0.05 0.00 0.00 63.50 62.01 2j4n n PRO 95 Cb 0.71 -1.38 -0.02 0.00 -0.05 0.00 0.00 33.50 32.76 2j4n n PRO 95 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 2j4n s GLN 96 N -0.37 3.41 0.23 0.54 -1.52 -1.26 -4.66 119.66 116.03 2j4n s GLN 96 Ca 0.22 0.50 0.00 0.00 -1.95 0.00 0.00 55.36 54.13 2j4n s GLN 96 Cb 0.13 -4.08 0.00 0.00 -0.22 0.00 0.00 33.01 28.85 2j4n s GLN 96 CO -0.01 -1.80 0.00 -1.71 -0.25 0.00 0.00 175.29 171.51 2j4n n ASN 97 N 9.16 -6.56 -4.29 5.90 5.15 -1.26 -4.46 115.26 118.90 2j4n n ASN 97 Ca 0.12 0.83 -0.34 0.00 -0.60 0.00 0.00 54.58 54.59 2j4n n ASN 97 Cb 0.49 -2.77 0.10 0.00 -0.53 0.00 0.00 39.78 37.07 2j4n n ASN 97 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2j4n n ASN 98 N 0.20 -3.11 -4.55 1.20 4.13 -1.26 -4.64 115.26 107.23 2j4n n ASN 98 Ca 0.00 0.25 -0.16 0.00 1.68 0.00 0.00 54.58 56.34 2j4n n ASN 98 Cb 0.00 -1.06 -0.09 0.00 -1.54 0.00 0.00 39.78 37.09 2j4n n ASN 98 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2j4n n ASN 99 N -0.04 1.32 0.00 6.41 2.85 -1.26 -5.20 115.26 119.34 2j4n n ASN 99 Ca 0.04 -1.26 0.00 0.00 -0.11 0.00 0.00 54.58 53.25 2j4n n ASN 99 Cb 0.55 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.10 2j4n n ASN 99 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15