#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 -0.06 0.00 1.75 -0.90 -4.87 119.30 115.61 2j4n s MET 2 Ca 0.00 -0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.30 2j4n s MET 2 Cb 0.00 0.03 0.11 0.00 2.84 0.00 0.00 34.83 37.81 2j4n s MET 2 CO 0.00 -0.55 1.10 0.00 -0.65 0.00 0.00 175.02 174.92 2j4n n ALA 3 N 3.70 3.50 -1.52 4.11 0.00 -1.26 -4.56 120.51 124.48 2j4n n ALA 3 Ca 0.08 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 2j4n n ALA 3 Cb 0.61 -0.45 0.05 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.70 0.00 -0.01 0.00 5.08 -1.96 -3.31 115.95 115.05 2j4n h TRP 5 Ca -0.44 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.50 2j4n h TRP 5 Cb 1.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 2j4n h TRP 5 CO 0.61 0.56 -0.14 0.00 -1.28 0.00 0.00 178.44 178.19 2j4n h ALA 6 N 1.44 1.74 0.00 0.11 0.00 -1.92 -1.71 119.26 118.91 2j4n h ALA 6 Ca -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2j4n h ALA 6 Cb 1.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2j4n h ALA 6 CO 0.06 0.20 -0.22 -0.56 0.00 0.00 0.00 179.25 178.72 2j4n h GLN 7 N 0.02 0.00 -0.36 0.00 -0.00 -1.65 -2.57 115.11 110.54 2j4n h GLN 7 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.65 58.76 2j4n h GLN 7 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 2j4n h GLN 7 CO 0.02 0.22 0.41 0.77 -0.00 0.00 0.00 178.83 180.26 2j4n h SER 8 N 0.00 0.00 0.04 0.06 0.02 -1.48 -0.11 113.55 112.08 2j4n h SER 8 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2j4n h SER 8 Cb 0.63 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 2j4n h SER 8 CO 0.03 0.00 -2.31 0.00 -1.14 0.00 0.00 176.83 173.41 2j4n n GLN 9 N -3.68 0.68 0.00 3.45 6.02 -1.07 -4.99 117.38 117.78 2j4n n GLN 9 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2j4n n GLN 9 Cb 0.58 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 1.70 0.69 1.34 1.08 0.00 -0.05 -5.15 105.19 104.80 2j4n n GLY 10 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.12 -4.38 1.61 4.01 -0.99 -4.88 117.16 109.42 2j4n n TYR 11 Ca 0.00 -0.37 -0.20 0.00 -0.16 0.00 0.00 57.90 57.17 2j4n n TYR 11 Cb 0.00 -0.47 -0.10 0.00 -0.31 0.00 0.00 39.34 38.46 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 -2.59 2.79 0.36 7.72 2.47 -1.23 -3.77 114.94 120.69 2j4n s ASN 12 Ca 0.28 -1.03 -0.26 0.00 0.42 0.00 0.00 52.86 52.26 2j4n s ASN 12 Cb -0.03 -0.17 -0.09 0.00 -1.45 0.00 0.00 41.25 39.50 2j4n s ASN 12 CO 0.22 -0.14 1.04 0.00 -3.72 0.00 0.00 177.10 174.50 2j4n s ASN 15 N -1.16 5.46 -0.83 0.00 4.22 -1.26 -4.02 114.94 117.35 2j4n s ASN 15 Ca 0.17 1.35 -0.03 0.00 -2.14 0.00 0.00 52.86 52.21 2j4n s ASN 15 Cb -0.12 -2.23 0.00 0.00 1.28 0.00 0.00 41.25 40.19 2j4n s ASN 15 CO 0.06 -1.35 0.06 -0.46 -2.04 0.00 0.00 177.10 173.36 2j4n n ASN 16 N -3.05 0.11 0.10 3.54 0.23 -1.26 -4.71 115.26 110.23 2j4n n ASN 16 Ca 0.07 -0.71 0.07 0.00 -0.53 0.00 0.00 54.58 53.47 2j4n n ASN 16 Cb 0.55 -0.88 0.36 0.00 -2.08 0.00 0.00 39.78 37.74 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 -3.02 0.09 0.04 -0.53 -0.04 -1.26 -1.44 135.00 128.83 2j4n n PRO 17 Ca -0.16 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 2j4n n PRO 17 Cb 0.38 -1.79 0.37 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.96 0.20 -0.02 3.54 7.64 -1.26 -3.03 113.62 118.72 2j4n n SER 18 Ca -0.01 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2j4n n SER 18 Cb 0.03 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 -1.72 0.10 -4.69 6.43 2.88 -0.52 -5.07 113.62 111.03 2j4n n SER 19 Ca 0.03 -1.09 -0.42 0.00 -1.33 0.00 0.00 58.87 56.06 2j4n n SER 19 Cb 0.20 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.05 4.17 -0.29 2.46 2.01 -1.08 -4.97 115.64 117.88 2j4n s THR 20 Ca 0.00 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 2j4n s THR 20 Cb 0.00 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2j4n s THR 20 CO 0.00 0.01 1.51 -0.75 -0.69 0.00 0.00 174.62 174.70 2j4n s LYS 21 N 2.12 3.73 -0.72 4.92 2.36 -1.26 -4.95 119.74 125.93 2j4n s LYS 21 Ca 0.57 1.37 -0.21 0.00 -2.55 0.00 0.00 55.97 55.16 2j4n s LYS 21 Cb -0.26 -4.01 0.10 0.00 -1.05 0.00 0.00 37.83 32.61 2j4n s LYS 21 CO 0.23 -1.37 0.95 0.08 1.55 0.00 0.00 175.35 176.79 2j4n s VAL 22 N 5.23 4.56 -1.67 4.02 1.01 -1.26 -4.22 120.40 128.07 2j4n s VAL 22 Ca 0.66 -0.87 0.30 0.00 0.00 0.00 0.00 61.98 62.07 2j4n s VAL 22 Cb -0.20 -4.66 0.54 0.00 0.00 0.00 0.00 36.38 32.05 2j4n s VAL 22 CO 0.29 -1.39 1.95 -1.84 0.00 0.00 0.00 175.10 174.11 2j4n n GLU 23 N 7.02 0.70 -4.06 2.72 0.28 -1.06 -4.77 120.64 121.48 2j4n n GLU 23 Ca 0.03 -0.17 -0.17 0.00 -0.16 0.00 0.00 57.16 56.68 2j4n n GLU 23 Cb 0.46 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.42 0.45 -0.20 -1.84 5.04 -1.05 -5.06 117.35 112.28 2j4n s TYR 24 Ca 0.32 -0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.79 2j4n s TYR 24 Cb 0.20 -0.42 0.08 0.00 0.35 0.00 0.00 41.96 42.17 2j4n s TYR 24 CO 0.45 -0.10 0.44 0.99 -1.34 0.00 0.00 175.55 175.99 2j4n s THR 25 N 0.61 -0.39 0.00 4.34 2.01 -1.26 -0.84 115.64 120.11 2j4n s THR 25 Ca -0.07 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2j4n s THR 25 Cb -0.10 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2j4n s THR 25 CO -0.01 0.05 0.00 -0.90 -0.69 0.00 0.00 174.62 173.07 2j4n n ASP 26 N 4.91 0.00 0.00 3.53 5.75 -1.09 -5.00 116.55 124.66 2j4n n ASP 26 Ca -0.15 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.76 2j4n n ASP 26 Cb 0.52 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.36 2j4n n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j4n n ALA 27 N -3.00 2.44 -0.05 2.12 0.00 -1.26 -2.83 120.51 117.94 2j4n n ALA 27 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2j4n n ALA 27 Cb 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.02 0.71 0.00 0.00 2.88 -1.26 -5.09 113.62 109.84 2j4n n SER 28 Ca 0.19 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2j4n n SER 28 Cb 0.10 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.67 0.48 3.27 0.46 0.00 -1.13 -5.01 105.19 104.94 2j4n n GLY 29 Ca -0.24 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 1.44 -0.01 1.61 1.11 -1.26 -2.67 119.66 119.88 2j4n s GLN 30 Ca 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 55.36 54.32 2j4n s GLN 30 Cb 0.00 -1.59 0.00 0.00 -1.01 0.00 0.00 33.01 30.41 2j4n s GLN 30 CO 0.00 0.40 0.10 -1.58 0.01 0.00 0.00 175.29 174.22 2j4n s TRP 31 N -0.84 0.03 -0.18 0.91 0.52 -0.02 -1.83 118.94 117.54 2j4n s TRP 31 Ca 0.08 -0.07 -0.22 0.00 0.02 0.00 0.00 56.10 55.91 2j4n s TRP 31 Cb -0.09 -0.05 0.06 0.00 -1.15 0.00 0.00 33.47 32.24 2j4n s TRP 31 CO 0.02 -0.20 0.60 0.20 0.02 0.00 0.00 176.95 177.59 2j4n s GLY 32 N -0.96 -0.46 -0.65 0.98 0.00 -0.90 -2.52 107.32 102.81 2j4n s GLY 32 Ca -0.11 1.54 -0.26 0.00 0.00 0.00 0.00 44.72 45.89 2j4n s GLY 32 CO 0.01 1.28 1.17 0.14 0.00 0.00 0.00 173.10 175.70 2j4n s VAL 33 N -0.08 3.98 -0.09 1.40 1.01 -1.26 -3.04 120.40 122.32 2j4n s VAL 33 Ca -0.03 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2j4n s VAL 33 Cb -0.04 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 2j4n s VAL 33 CO 0.03 -1.55 -0.13 -1.58 0.00 0.00 0.00 175.10 171.87 2j4n s GLN 34 N 5.04 3.00 -0.93 2.72 0.74 -1.04 -4.58 119.66 124.60 2j4n s GLN 34 Ca 0.35 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 2j4n s GLN 34 Cb -0.10 -2.53 0.01 0.00 1.10 0.00 0.00 33.01 31.49 2j4n s GLN 34 CO 0.18 0.40 0.04 0.27 -0.55 0.00 0.00 175.29 175.63 2j4n n ASN 35 N 2.97 -3.51 -2.16 6.67 0.23 -1.26 -1.02 115.26 117.17 2j4n n ASN 35 Ca -0.18 0.19 -0.10 0.00 -0.53 0.00 0.00 54.58 53.96 2j4n n ASN 35 Cb 0.52 -3.00 0.04 0.00 -2.08 0.00 0.00 39.78 35.27 2j4n n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j4n n GLY 36 N -0.80 0.11 3.34 4.83 0.00 -1.26 -5.04 105.19 106.37 2j4n n GLY 36 Ca -0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.18 0.43 -0.42 1.61 -0.21 -0.19 -5.11 119.66 110.59 2j4n s GLN 37 Ca 0.15 0.96 -0.28 0.00 0.02 0.00 0.00 55.36 56.21 2j4n s GLN 37 Cb -0.07 0.16 -0.01 0.00 1.00 0.00 0.00 33.01 34.09 2j4n s GLN 37 CO 0.37 -0.19 1.74 -1.58 -2.12 0.00 0.00 175.29 173.51 2j4n s TRP 38 N 1.89 1.89 -0.00 0.91 0.23 -1.26 -2.49 118.94 120.11 2j4n s TRP 38 Ca -0.07 0.67 0.00 0.00 -2.03 0.00 0.00 56.10 54.67 2j4n s TRP 38 Cb -0.09 -4.16 0.00 0.00 0.03 0.00 0.00 33.47 29.25 2j4n s TRP 38 CO -0.14 -2.61 0.00 0.00 0.96 0.00 0.00 176.95 175.16 2j4n s GLY 40 N 0.08 1.67 -0.56 0.00 0.00 -1.14 -2.11 107.32 105.25 2j4n s GLY 40 Ca -0.01 0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.74 2j4n s GLY 40 CO -0.00 0.58 0.71 -0.42 0.00 0.00 0.00 173.10 173.96 2j4n s ILE 41 N -2.92 4.78 -0.32 0.90 1.09 -0.76 -3.10 121.20 120.86 2j4n s ILE 41 Ca 0.61 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 59.48 2j4n s ILE 41 Cb -0.17 -4.44 0.10 0.00 -1.06 0.00 0.00 42.46 36.90 2j4n s ILE 41 CO 0.56 -1.03 0.09 -0.62 -0.10 0.00 0.00 174.94 173.84 2j4n s ASP 42 N 3.23 4.21 0.64 3.58 3.68 -1.26 -4.75 116.67 125.99 2j4n s ASP 42 Ca 0.15 -1.79 0.35 0.00 2.13 0.00 0.00 52.55 53.40 2j4n s ASP 42 Cb -0.21 -1.06 1.99 0.00 -1.45 0.00 0.00 42.92 42.19 2j4n s ASP 42 CO 0.09 -0.40 2.20 1.88 0.13 0.00 0.00 175.17 179.07 2j4n h TYR 43 N 7.95 0.00 -1.60 -5.34 0.99 -1.88 -1.29 116.97 115.80 2j4n h TYR 43 Ca -0.11 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 59.99 2j4n h TYR 43 Cb 1.01 0.00 -0.39 0.00 1.00 0.00 0.00 36.73 38.36 2j4n h TYR 43 CO 0.39 0.00 -0.33 -1.13 -0.00 0.00 0.00 178.16 177.09 2j4n n SER 44 N -3.36 5.35 -4.51 3.88 3.41 -1.26 -4.92 113.62 112.22 2j4n n SER 44 Ca -0.02 -3.75 -0.43 0.00 -0.26 0.00 0.00 58.87 54.42 2j4n n SER 44 Cb 0.20 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 2j4n n SER 44 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2j4n s TYR 45 N -3.66 3.04 0.00 7.33 1.13 -0.49 -4.61 117.35 120.10 2j4n s TYR 45 Ca 0.49 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 2j4n s TYR 45 Cb 0.41 -3.43 0.00 0.00 -1.10 0.00 0.00 41.96 37.84 2j4n s TYR 45 CO -0.23 -0.93 0.00 0.41 -2.51 0.00 0.00 175.55 172.28 2j4n n GLY 46 N 5.07 -0.10 2.25 5.49 0.00 -1.25 -4.29 105.19 112.35 2j4n n GLY 46 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2j4n n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2j4n n GLN 47 N -0.59 -1.35 -2.75 1.61 6.02 -1.26 0.13 117.38 119.19 2j4n n GLN 47 Ca 0.00 -1.17 -0.40 0.00 -0.01 0.00 0.00 57.00 55.42 2j4n n GLN 47 Cb 0.10 -0.89 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 2j4n n GLN 47 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2j4n s ASN 48 N -3.69 7.61 -0.32 1.08 -0.87 -1.26 -4.19 114.94 113.31 2j4n s ASN 48 Ca 0.44 1.91 -0.00 0.00 -1.57 0.00 0.00 52.86 53.65 2j4n s ASN 48 Cb -0.02 -2.60 0.27 0.00 -0.02 0.00 0.00 41.25 38.88 2j4n s ASN 48 CO 0.32 0.11 1.85 1.67 -2.57 0.00 0.00 177.10 178.48 2j4n n GLN 49 N 1.80 1.82 -0.05 -0.60 0.00 -1.26 -4.42 117.38 114.67 2j4n n GLN 49 Ca -0.01 -1.69 0.06 0.00 -0.00 0.00 0.00 57.00 55.36 2j4n n GLN 49 Cb 0.48 -1.66 0.27 0.00 0.00 0.00 0.00 30.24 29.33 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 0.04 -0.44 2.65 1.69 0.00 -1.26 -4.58 105.19 103.29 2j4n n GLY 50 Ca 0.33 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.24 -2.53 0.08 1.61 4.05 -1.26 -4.95 115.26 112.02 2j4n n ASN 51 Ca 0.10 -0.40 0.08 0.00 0.45 0.00 0.00 54.58 54.80 2j4n n ASN 51 Cb 0.14 -3.54 -0.03 0.00 1.23 0.00 0.00 39.78 37.58 2j4n n ASN 51 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2j4n n GLU 52 N -3.13 0.61 -3.51 1.20 1.02 -1.26 -4.96 120.64 110.60 2j4n n GLU 52 Ca -0.16 0.16 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2j4n n GLU 52 Cb 0.60 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 2j4n n GLU 52 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2j4n s SER 53 N -5.50 -0.65 0.32 1.62 1.04 -1.26 -5.11 113.70 104.16 2j4n s SER 53 Ca -0.01 0.65 0.09 0.00 0.48 0.00 0.00 55.95 57.16 2j4n s SER 53 Cb 0.09 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 2j4n s SER 53 CO 0.80 -0.64 -0.02 0.00 0.98 0.00 0.00 173.24 174.36 2j4n s THR 55 N -2.48 4.86 0.00 0.00 2.01 -0.61 -4.12 115.64 115.30 2j4n s THR 55 Ca 0.34 0.80 0.00 0.00 0.31 0.00 0.00 61.69 63.14 2j4n s THR 55 Cb -0.02 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2j4n s THR 55 CO 0.19 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2j4n n GLY 56 N 0.74 0.71 0.00 4.40 0.00 -1.26 -1.95 105.19 107.82 2j4n n GLY 56 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.13 1.61 2.04 -1.26 -2.16 115.26 115.63 2j4n n ASN 57 Ca 0.00 -1.73 0.05 0.00 -0.44 0.00 0.00 54.58 52.47 2j4n n ASN 57 Cb 0.00 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.28 2j4n n ASN 57 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 2j4n h GLY 58 N 5.60 0.00 0.00 4.83 0.00 -1.92 -3.45 103.07 108.14 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 -1.14 0.00 0.00 0.00 176.54 175.40 2j4n n SER 59 N -3.04 0.00 -3.62 0.19 3.41 -1.21 -5.15 113.62 104.20 2j4n n SER 59 Ca -0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2j4n n SER 59 Cb 0.69 0.33 0.07 0.00 -0.26 0.00 0.00 64.21 65.04 2j4n n SER 59 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2j4n n TYR 60 N -2.17 -3.08 -3.06 7.33 4.02 -0.92 -5.10 117.16 114.18 2j4n n TYR 60 Ca 0.00 -1.12 -0.27 0.00 -0.01 0.00 0.00 57.90 56.50 2j4n n TYR 60 Cb 0.00 -0.46 -0.01 0.00 -0.02 0.00 0.00 39.34 38.85 2j4n n TYR 60 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2j4n s PRO 61 N -4.09 3.57 0.47 -0.72 0.04 -1.25 -4.00 135.00 129.01 2j4n s PRO 61 Ca 0.42 0.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.27 2j4n s PRO 61 Cb -0.02 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 2j4n s PRO 61 CO 0.28 0.02 1.03 0.00 0.04 0.00 0.00 177.00 178.36 2j4n n ASN 64 N -1.07 0.00 -4.77 0.00 6.94 -1.26 -5.02 115.26 110.08 2j4n n ASN 64 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.18 2j4n n ASN 64 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.07 3.43 -0.56 5.53 -1.32 -1.26 -4.79 115.64 115.59 2j4n s THR 65 Ca 0.00 1.23 0.00 0.00 -1.21 0.00 0.00 61.69 61.72 2j4n s THR 65 Cb 0.00 -3.71 0.50 0.00 -1.51 0.00 0.00 72.50 67.78 2j4n s THR 65 CO 0.00 0.15 1.98 0.00 -2.21 0.00 0.00 174.62 174.54 2j4n s GLN 67 N -3.45 1.56 -0.43 0.00 -0.44 -1.26 -4.97 119.66 110.67 2j4n s GLN 67 Ca 0.59 -2.19 -0.26 0.00 -2.50 0.00 0.00 55.36 50.99 2j4n s GLN 67 Cb 0.47 -2.83 0.02 0.00 -1.64 0.00 0.00 33.01 29.04 2j4n s GLN 67 CO 0.03 -1.10 0.98 0.00 0.50 0.00 0.00 175.29 175.70 2j4n s ALA 68 N 0.22 3.29 -0.17 1.58 0.00 -1.26 -4.46 121.76 120.96 2j4n s ALA 68 Ca 0.16 -0.58 0.19 0.00 0.00 0.00 0.00 51.96 51.73 2j4n s ALA 68 Cb -0.24 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.14 2j4n s ALA 68 CO -0.02 -1.93 0.94 0.00 0.00 0.00 0.00 175.76 174.75 2j4n h THR 69 N 6.01 0.32 -2.76 0.00 1.03 -1.34 -3.47 112.91 112.69 2j4n h THR 69 Ca -0.23 -1.62 -0.12 0.00 -0.01 0.00 0.00 66.41 64.42 2j4n h THR 69 Cb 1.07 1.85 -0.24 0.00 -1.07 0.00 0.00 68.15 69.76 2j4n h THR 69 CO 1.03 0.18 -0.25 -0.72 -0.01 0.00 0.00 175.52 175.76 2j4n s TYR 70 N -3.09 -0.44 -0.07 0.00 -0.85 -0.45 -5.02 117.35 107.43 2j4n s TYR 70 Ca -0.02 1.08 0.05 0.00 -0.52 0.00 0.00 57.07 57.67 2j4n s TYR 70 Cb 0.09 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.58 2j4n s TYR 70 CO 0.80 -0.22 -0.24 0.99 -1.52 0.00 0.00 175.55 175.37 2j4n s THR 71 N 0.25 1.97 0.00 -3.49 2.01 -1.26 0.19 115.64 115.31 2j4n s THR 71 Ca -0.00 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.00 2j4n s THR 71 Cb -0.03 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2j4n s THR 71 CO 0.00 0.55 0.00 -0.67 -0.69 0.00 0.00 174.62 173.81 2j4n n ASP 72 N 3.15 1.63 0.00 3.53 -0.08 0.52 -4.96 116.55 120.35 2j4n n ASP 72 Ca -0.18 -0.65 0.02 0.00 -1.51 0.00 0.00 54.79 52.47 2j4n n ASP 72 Cb 0.52 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.11 2j4n n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2j4n n GLY 73 N 5.00 -0.64 0.06 0.27 0.00 -1.26 -2.41 105.19 106.22 2j4n n GLY 73 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.61 1.37 0.00 1.61 9.92 -1.26 -4.79 116.55 122.79 2j4n n ASP 74 Ca 0.03 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 2j4n n ASP 74 Cb 0.02 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.50 0.08 3.80 0.44 0.00 -1.01 -4.67 105.19 103.33 2j4n n GLY 75 Ca 0.03 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 -3.47 3.56 -0.05 1.61 1.11 -1.26 -0.35 116.67 117.82 2j4n s ASP 76 Ca 0.00 0.93 -0.26 0.00 0.18 0.00 0.00 52.55 53.40 2j4n s ASP 76 Cb 0.00 -1.48 0.06 0.00 1.07 0.00 0.00 42.92 42.57 2j4n s ASP 76 CO 0.00 -2.51 0.57 0.26 1.18 0.00 0.00 175.17 174.66 2j4n s TRP 77 N -3.32 -0.52 0.02 4.23 0.52 0.50 -3.22 118.94 117.16 2j4n s TRP 77 Ca 0.64 0.90 -0.07 0.00 0.02 0.00 0.00 56.10 57.59 2j4n s TRP 77 Cb -0.14 0.31 -0.00 0.00 -1.15 0.00 0.00 33.47 32.48 2j4n s TRP 77 CO 0.53 -0.53 0.13 0.00 0.02 0.00 0.00 176.95 177.10 2j4n s ALA 78 N -1.14 -0.22 -0.50 0.98 0.00 -0.92 -0.78 121.76 119.18 2j4n s ALA 78 Ca -0.11 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 2j4n s ALA 78 Cb -0.02 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.34 2j4n s ALA 78 CO 0.08 -0.28 0.75 0.12 0.00 0.00 0.00 175.76 176.43 2j4n s PHE 79 N -2.09 2.96 0.07 0.00 5.36 -1.26 -2.78 117.98 120.24 2j4n s PHE 79 Ca -0.09 -0.21 0.06 0.00 -0.96 0.00 0.00 56.93 55.73 2j4n s PHE 79 Cb -0.04 -3.70 -0.03 0.00 -0.34 0.00 0.00 43.02 38.91 2j4n s PHE 79 CO -0.02 -1.11 -0.16 -2.00 -1.46 0.00 0.00 175.22 170.47 2j4n s GLU 80 N 3.18 0.94 -0.81 10.12 2.56 -1.03 -4.75 118.70 128.91 2j4n s GLU 80 Ca 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 54.97 54.25 2j4n s GLU 80 Cb -0.15 -1.00 0.00 0.00 2.00 0.00 0.00 34.13 34.97 2j4n s GLU 80 CO 0.17 0.23 0.00 -1.71 -0.56 0.00 0.00 175.26 173.39 2j4n n ASN 81 N 1.41 -2.94 -1.27 -1.70 5.15 -1.26 0.92 115.26 115.58 2j4n n ASN 81 Ca -0.20 0.27 -0.14 0.00 -0.60 0.00 0.00 54.58 53.91 2j4n n ASN 81 Cb 0.54 -2.61 -0.03 0.00 -0.53 0.00 0.00 39.78 37.14 2j4n n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j4n n GLY 82 N -0.59 0.69 2.96 8.20 0.00 -1.26 -5.00 105.19 110.18 2j4n n GLY 82 Ca -0.10 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.64 0.81 -0.81 1.61 4.22 0.26 -5.08 114.94 113.30 2j4n s ASN 83 Ca 0.00 -0.12 -0.25 0.00 -2.14 0.00 0.00 52.86 50.35 2j4n s ASN 83 Cb 0.00 -0.16 -0.01 0.00 1.28 0.00 0.00 41.25 42.36 2j4n s ASN 83 CO 0.00 0.05 1.74 0.26 -2.04 0.00 0.00 177.10 177.11 2j4n s TRP 84 N 0.07 1.95 0.50 1.54 0.23 -1.26 -2.46 118.94 119.51 2j4n s TRP 84 Ca -0.01 0.33 0.06 0.00 -2.03 0.00 0.00 56.10 54.45 2j4n s TRP 84 Cb -0.05 -4.25 0.01 0.00 0.03 0.00 0.00 33.47 29.20 2j4n s TRP 84 CO -0.00 -2.00 0.31 0.00 0.96 0.00 0.00 176.95 176.22 2j4n s GLY 86 N -4.15 1.93 0.30 0.00 0.00 -0.82 -2.16 107.32 102.43 2j4n s GLY 86 Ca 0.34 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 2j4n s GLY 86 CO 0.20 -1.06 1.26 -0.42 0.00 0.00 0.00 173.10 173.08 2j4n s ILE 87 N -1.31 2.95 0.46 0.90 1.09 -1.20 -1.73 121.20 122.37 2j4n s ILE 87 Ca 0.26 0.93 -0.23 0.00 -1.10 0.00 0.00 60.65 60.51 2j4n s ILE 87 Cb -0.12 -3.59 -0.07 0.00 -1.06 0.00 0.00 42.46 37.62 2j4n s ILE 87 CO 0.18 0.21 1.17 -0.54 -0.10 0.00 0.00 174.94 175.86 2j4n s LYS 88 N -1.45 3.74 0.34 2.79 -0.14 -1.26 -1.57 119.74 122.19 2j4n s LYS 88 Ca 0.49 1.78 0.25 0.00 -1.36 0.00 0.00 55.97 57.13 2j4n s LYS 88 Cb -0.38 -2.39 1.21 0.00 -1.68 0.00 0.00 37.83 34.59 2j4n s LYS 88 CO 0.48 -0.57 1.76 -2.95 -0.76 0.00 0.00 175.35 173.31 2j4n h ASN 89 N 2.01 0.00 0.90 2.83 -0.00 -1.58 0.33 115.58 120.07 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 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 2j4n h ASN 89 CO 0.60 0.00 -0.54 -0.24 -0.00 0.00 0.00 177.43 177.25 2j4n n SER 90 N -2.37 0.68 -2.42 6.14 2.88 -1.26 -4.17 113.62 113.09 2j4n n SER 90 Ca -0.00 0.15 -0.26 0.00 -1.33 0.00 0.00 58.87 57.42 2j4n n SER 90 Cb 0.13 0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.61 2j4n n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4n n LYS 92 N 0.75 0.00 -3.63 0.00 5.02 -1.26 -4.80 118.16 114.24 2j4n n LYS 92 Ca 0.47 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.64 2j4n n LYS 92 Cb 0.55 -0.34 -0.07 0.00 -0.02 0.00 0.00 35.03 35.15 2j4n n LYS 92 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2j4n s GLN 93 N -1.72 0.80 0.08 1.97 -2.07 -1.26 -5.05 119.66 112.40 2j4n s GLN 93 Ca 0.00 1.06 -0.25 0.00 -1.82 0.00 0.00 55.36 54.35 2j4n s GLN 93 Cb 0.00 0.33 -0.16 0.00 -1.09 0.00 0.00 33.01 32.09 2j4n s GLN 93 CO 0.00 -0.11 1.67 0.37 -1.32 0.00 0.00 175.29 175.89 2j4n h GLN 94 N 5.59 -0.16 0.00 9.60 5.75 -1.93 -2.60 115.11 131.36 2j4n h GLN 94 Ca -0.29 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2j4n h GLN 94 Cb 1.18 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2j4n h GLN 94 CO 0.08 -0.06 0.00 -1.00 -2.65 0.00 0.00 178.83 175.20 2j4n h PRO 95 N -0.21 0.00 0.00 -2.39 0.13 -1.97 -3.46 132.00 124.09 2j4n h PRO 95 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2j4n h PRO 95 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2j4n h PRO 95 CO 0.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.80 2j4n n GLN 96 N -2.85 0.00 0.00 0.86 10.64 -0.98 -3.73 117.38 121.32 2j4n n GLN 96 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2j4n n GLN 96 Cb 0.15 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.53 2j4n n GLN 96 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2j4n n ASN 97 N -3.40 0.00 -4.91 2.61 5.15 -1.26 -4.74 115.26 108.71 2j4n n ASN 97 Ca 0.00 0.95 -0.28 0.00 -0.60 0.00 0.00 54.58 54.64 2j4n n ASN 97 Cb 0.00 -0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 38.77 2j4n n ASN 97 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2j4n s ASN 98 N -2.16 6.43 -0.58 1.20 0.01 -1.24 -4.90 114.94 113.69 2j4n s ASN 98 Ca 0.00 0.67 -0.26 0.00 -0.71 0.00 0.00 52.86 52.56 2j4n s ASN 98 Cb 0.00 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.57 2j4n s ASN 98 CO 0.00 -0.18 1.06 0.20 -1.51 0.00 0.00 177.10 176.67 2j4n s ASN 99 N -3.20 6.36 0.00 -1.22 0.02 -1.25 -4.84 114.94 110.81 2j4n s ASN 99 Ca 0.43 -0.22 0.27 0.00 -1.02 0.00 0.00 52.86 52.32 2j4n s ASN 99 Cb -0.11 -2.49 0.79 0.00 0.02 0.00 0.00 41.25 39.46 2j4n s ASN 99 CO 0.30 -1.37 1.60 1.67 0.02 0.00 0.00 177.10 179.31