#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m n TRP 2 N 0.00 -2.74 -4.44 7.33 -0.00 -1.26 -4.99 117.44 111.33 1j7m n TRP 2 Ca 0.00 0.94 -0.26 0.00 -0.00 0.00 0.00 57.50 58.18 1j7m n TRP 2 Cb 0.00 -4.96 -0.17 0.00 -0.00 0.00 0.00 31.31 26.18 1j7m n TRP 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 1j7m s MET 3 N -6.22 1.76 0.55 5.87 -1.94 -1.26 -5.12 119.30 112.94 1j7m s MET 3 Ca 0.54 -0.41 -0.09 0.00 -1.71 0.00 0.00 55.69 54.03 1j7m s MET 3 Cb -0.24 -1.52 -0.04 0.00 2.01 0.00 0.00 34.83 35.04 1j7m s MET 3 CO 0.67 -0.04 0.92 -1.12 -0.01 0.00 0.00 175.02 175.44 1j7m s SER 4 N 0.91 6.26 0.42 3.03 0.01 -1.26 -3.75 113.70 119.31 1j7m s SER 4 Ca -0.10 1.21 0.02 0.00 1.31 0.00 0.00 55.95 58.39 1j7m s SER 4 Cb -0.15 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1j7m s SER 4 CO 0.01 -0.73 0.62 0.42 0.41 0.00 0.00 173.24 173.97 1j7m s THR 5 N -2.96 4.02 0.25 1.44 -4.23 -1.20 -4.73 115.64 108.23 1j7m s THR 5 Ca 0.52 -0.63 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1j7m s THR 5 Cb -0.11 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1j7m s THR 5 CO 0.49 -0.29 -0.05 0.54 -0.54 0.00 0.00 174.62 174.77 1j7m s VAL 6 N -2.46 1.43 0.00 2.29 0.11 -1.23 -3.95 120.40 116.59 1j7m s VAL 6 Ca 0.47 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1j7m s VAL 6 Cb -0.10 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1j7m s VAL 6 CO 0.36 -0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1j7m n GLY 7 N -0.50 1.41 7.00 6.54 0.00 -1.26 0.22 105.19 118.60 1j7m n GLY 7 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1j7m n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j7m n GLY 8 N 0.00 1.76 0.36 -0.02 0.00 -1.26 -4.51 105.19 101.52 1j7m n GLY 8 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1j7m n GLY 8 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j7m n ASN 9 N -1.12 0.00 0.08 1.61 2.04 -0.40 -4.92 115.26 112.55 1j7m n ASN 9 Ca 0.00 -1.14 -0.18 0.00 -0.44 0.00 0.00 54.58 52.82 1j7m n ASN 9 Cb 0.00 -0.03 -0.10 0.00 -2.53 0.00 0.00 39.78 37.12 1j7m n ASN 9 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1j7m h SER 10 N 0.00 0.69 0.00 0.53 4.64 -1.77 -3.48 113.55 114.16 1j7m h SER 10 Ca 0.00 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1j7m h SER 10 Cb 1.05 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1j7m h SER 10 CO 0.00 1.43 0.00 0.61 -0.87 0.00 0.00 176.83 178.00 1j7m n GLY 11 N 1.24 0.92 0.00 -0.77 0.00 -1.26 -4.54 105.19 100.77 1j7m n GLY 11 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1j7m n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j7m n GLY 12 N -2.13 0.73 3.84 -0.02 0.00 -1.25 -4.94 105.19 101.41 1j7m n GLY 12 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1j7m n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7m s ALA 13 N -1.09 3.77 0.31 4.61 0.00 -1.26 -4.23 121.76 123.86 1j7m s ALA 13 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1j7m s ALA 13 Cb 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 23.12 21.13 1j7m s ALA 13 CO 0.00 0.62 1.56 -2.30 0.00 0.00 0.00 175.76 175.64 1j7m n PRO 14 N 1.96 2.67 -2.10 0.00 -0.02 -1.25 -3.23 135.00 133.03 1j7m n PRO 14 Ca -0.19 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1j7m n PRO 14 Cb 0.55 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1j7m n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7m s VAL 16 N 1.63 5.05 -0.06 0.00 1.01 -0.04 -4.90 120.40 123.08 1j7m s VAL 16 Ca 0.67 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.69 1j7m s VAL 16 Cb -0.37 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1j7m s VAL 16 CO 0.30 -0.29 -0.09 -0.36 0.00 0.00 0.00 175.10 174.65 1j7m s PHE 17 N 2.27 2.87 0.05 5.22 0.08 -1.26 -2.41 117.98 124.80 1j7m s PHE 17 Ca 0.15 -0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.92 1j7m s PHE 17 Cb -0.16 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 1j7m s PHE 17 CO 0.14 0.29 0.79 -1.25 -0.10 0.00 0.00 175.22 175.08 1j7m s PRO 18 N -0.78 4.52 -0.15 0.24 0.05 -1.26 -5.08 135.00 132.53 1j7m s PRO 18 Ca 0.12 1.11 -0.06 0.00 0.05 0.00 0.00 61.00 62.22 1j7m s PRO 18 Cb -0.11 -3.37 -0.04 0.00 0.05 0.00 0.00 34.50 31.04 1j7m s PRO 18 CO 0.01 0.27 0.07 -0.59 0.05 0.00 0.00 177.00 176.81 1j7m s PHE 19 N -0.04 3.30 -0.26 0.56 -0.71 0.45 -4.76 117.98 116.52 1j7m s PHE 19 Ca 0.40 0.18 -0.14 0.00 -1.04 0.00 0.00 56.93 56.32 1j7m s PHE 19 Cb -0.21 -2.00 -0.04 0.00 -1.21 0.00 0.00 43.02 39.56 1j7m s PHE 19 CO 0.24 0.32 0.33 0.99 -1.34 0.00 0.00 175.22 175.76 1j7m s THR 20 N -0.11 5.22 -0.12 -4.49 2.01 -0.83 0.11 115.64 117.42 1j7m s THR 20 Ca 0.07 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1j7m s THR 20 Cb -0.12 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1j7m s THR 20 CO 0.01 0.20 -0.16 0.12 -0.69 0.00 0.00 174.62 174.10 1j7m s PHE 21 N 1.81 2.74 -0.88 4.92 5.36 0.79 -1.80 117.98 130.92 1j7m s PHE 21 Ca 0.14 -0.73 -0.07 0.00 -0.96 0.00 0.00 56.93 55.30 1j7m s PHE 21 Cb -0.15 -1.80 0.06 0.00 -0.34 0.00 0.00 43.02 40.79 1j7m s PHE 21 CO 0.09 -0.25 0.25 1.28 -1.46 0.00 0.00 175.22 175.13 1j7m n LEU 22 N 3.48 -0.79 0.00 6.12 4.32 -1.26 -0.91 117.00 127.96 1j7m n LEU 22 Ca -0.18 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 1j7m n LEU 22 Cb 0.53 -1.62 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 1j7m n LEU 22 CO 0.30 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1j7m n GLY 23 N -0.85 2.02 3.62 -0.72 0.00 -1.26 -5.09 105.19 102.90 1j7m n GLY 23 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1j7m n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j7m s ASN 24 N -1.61 4.69 -0.21 1.61 0.01 -0.09 -5.09 114.94 114.26 1j7m s ASN 24 Ca 0.00 -0.20 -0.23 0.00 -0.71 0.00 0.00 52.86 51.72 1j7m s ASN 24 Cb 0.00 -1.07 -0.02 0.00 0.41 0.00 0.00 41.25 40.58 1j7m s ASN 24 CO 0.00 0.24 0.74 -0.54 -1.51 0.00 0.00 177.10 176.03 1j7m s LYS 25 N -1.79 4.22 -0.28 -0.60 1.02 -1.26 -0.15 119.74 120.89 1j7m s LYS 25 Ca 0.20 0.81 -0.07 0.00 0.02 0.00 0.00 55.97 56.93 1j7m s LYS 25 Cb -0.11 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 1j7m s LYS 25 CO 0.11 -0.36 0.08 0.71 -0.92 0.00 0.00 175.35 174.98 1j7m s TYR 26 N 2.30 3.12 -0.42 3.18 1.51 0.29 -4.91 117.35 122.42 1j7m s TYR 26 Ca 0.33 -0.74 0.23 0.00 -1.01 0.00 0.00 57.07 55.87 1j7m s TYR 26 Cb -0.16 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1j7m s TYR 26 CO 0.10 -0.49 1.00 0.39 -1.11 0.00 0.00 175.55 175.43 1j7m n GLU 27 N 4.90 0.44 -4.07 -0.62 1.02 -1.26 -0.41 120.64 120.63 1j7m n GLU 27 Ca -0.15 0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.79 1j7m n GLU 27 Cb 0.49 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 1j7m n GLU 27 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j7m n SER 28 N -2.25 1.38 -4.66 1.62 3.41 -1.26 -4.89 113.62 106.96 1j7m n SER 28 Ca 0.01 -2.86 -0.30 0.00 -0.26 0.00 0.00 58.87 55.46 1j7m n SER 28 Cb 0.49 0.83 0.17 0.00 -0.26 0.00 0.00 64.21 65.43 1j7m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m s THR 30 N -2.80 0.05 -0.11 0.00 -1.32 -0.01 -4.94 115.64 106.51 1j7m s THR 30 Ca 0.65 -1.93 0.16 0.00 -1.21 0.00 0.00 61.69 59.36 1j7m s THR 30 Cb -0.20 -2.26 0.25 0.00 -1.51 0.00 0.00 72.50 68.78 1j7m s THR 30 CO 0.59 -0.23 1.13 -1.54 -2.21 0.00 0.00 174.62 172.35 1j7m n SER 31 N -0.19 2.10 -4.78 8.08 3.41 -1.26 0.86 113.62 121.85 1j7m n SER 31 Ca -0.02 -2.94 -0.41 0.00 -0.26 0.00 0.00 58.87 55.24 1j7m n SER 31 Cb 0.65 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1j7m n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m s ALA 32 N -2.53 3.57 0.00 7.33 0.00 -1.26 -1.88 121.76 126.99 1j7m s ALA 32 Ca 0.28 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1j7m s ALA 32 Cb 0.24 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1j7m s ALA 32 CO 0.03 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1j7m n GLY 33 N 0.64 1.25 3.41 0.00 0.00 -1.26 -4.98 105.19 104.25 1j7m n GLY 33 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1j7m n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j7m s ARG 34 N -0.15 2.38 -0.15 1.61 0.52 -0.79 -5.00 118.95 117.37 1j7m s ARG 34 Ca 0.00 -0.78 0.17 0.00 -0.52 0.00 0.00 55.73 54.60 1j7m s ARG 34 Cb 0.00 -2.26 0.32 0.00 0.52 0.00 0.00 34.95 33.53 1j7m s ARG 34 CO 0.00 0.59 1.17 0.43 0.02 0.00 0.00 175.30 177.50 1j7m n SER 35 N 2.39 2.19 0.00 0.23 7.64 -1.26 -4.83 113.62 119.98 1j7m n SER 35 Ca -0.17 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1j7m n SER 35 Cb 0.52 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1j7m n ASP 36 N -1.36 0.00 0.00 6.43 5.68 -1.26 -5.08 116.55 120.96 1j7m n ASP 36 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1j7m n ASP 36 Cb 0.65 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1j7m n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j7m n GLY 37 N 2.73 0.10 3.66 6.12 0.00 -1.26 -5.12 105.19 111.42 1j7m n GLY 37 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j7m n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j7m s LYS 38 N 0.00 4.13 0.28 1.61 3.01 -1.26 -4.98 119.74 122.52 1j7m s LYS 38 Ca 0.00 2.43 -0.13 0.00 -1.01 0.00 0.00 55.97 57.26 1j7m s LYS 38 Cb 0.00 -4.10 -0.08 0.00 -1.01 0.00 0.00 37.83 32.64 1j7m s LYS 38 CO 0.00 -0.95 0.66 -1.64 0.51 0.00 0.00 175.35 173.93 1j7m s MET 39 N 4.36 3.93 0.00 1.68 -1.94 -1.26 -4.79 119.30 121.28 1j7m s MET 39 Ca 0.83 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 1j7m s MET 39 Cb -0.39 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 33.91 1j7m s MET 39 CO 0.37 0.24 0.00 -2.67 -0.01 0.00 0.00 175.02 172.95 1j7m n TRP 40 N -0.21 0.00 -3.60 -0.03 4.27 0.25 -0.05 117.44 118.07 1j7m n TRP 40 Ca 0.02 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.47 1j7m n TRP 40 Cb 0.53 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.41 1j7m n TRP 40 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1j7m s ALA 42 N -1.07 3.30 -1.33 0.00 0.00 -1.26 -1.10 121.76 120.30 1j7m s ALA 42 Ca -0.11 0.11 0.19 0.00 0.00 0.00 0.00 51.96 52.16 1j7m s ALA 42 Cb -0.02 -2.83 0.64 0.00 0.00 0.00 0.00 23.12 20.91 1j7m s ALA 42 CO 0.08 0.31 1.55 0.25 0.00 0.00 0.00 175.76 177.94 1j7m n THR 43 N -0.19 1.49 -4.11 0.00 -2.24 -0.44 -0.86 114.28 107.94 1j7m n THR 43 Ca 0.03 -1.15 -0.12 0.00 -2.27 0.00 0.00 64.05 60.54 1j7m n THR 43 Cb 0.53 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.92 1j7m n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1j7m s THR 44 N -1.52 0.60 0.13 4.28 -4.23 -1.26 -4.48 115.64 109.17 1j7m s THR 44 Ca 0.47 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.37 1j7m s THR 44 Cb 0.28 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 1j7m s THR 44 CO 0.26 -0.58 1.78 0.00 -0.54 0.00 0.00 174.62 175.54 1j7m h ALA 45 N 3.89 0.34 -3.45 3.99 0.00 -1.87 -3.37 119.26 118.78 1j7m h ALA 45 Ca -0.36 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.86 1j7m h ALA 45 Cb 1.19 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.56 1j7m h ALA 45 CO 0.50 -0.22 -0.68 1.21 0.00 0.00 0.00 179.25 180.07 1j7m s ASN 46 N -5.41 4.95 0.16 0.00 3.84 -1.26 -1.97 114.94 115.25 1j7m s ASN 46 Ca -0.13 -1.40 -0.03 0.00 0.21 0.00 0.00 52.86 51.51 1j7m s ASN 46 Cb 0.10 -1.73 0.01 0.00 -0.55 0.00 0.00 41.25 39.07 1j7m s ASN 46 CO 0.70 -0.30 1.40 0.22 -2.79 0.00 0.00 177.10 176.33 1j7m h TYR 47 N 8.00 0.61 -1.09 0.43 5.03 -1.52 -3.06 116.97 125.36 1j7m h TYR 47 Ca -0.20 -0.28 0.30 0.00 2.58 0.00 0.00 58.73 61.13 1j7m h TYR 47 Cb 1.06 -0.09 -0.08 0.00 1.55 0.00 0.00 36.73 39.17 1j7m h TYR 47 CO 0.60 1.06 0.74 -0.44 -1.32 0.00 0.00 178.16 178.79 1j7m h ASP 48 N 0.30 0.27 0.00 -2.11 3.32 -1.92 0.47 116.42 116.75 1j7m h ASP 48 Ca -0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1j7m h ASP 48 Cb 1.36 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1j7m h ASP 48 CO 0.14 0.04 -0.32 0.47 -1.72 0.00 0.00 179.24 177.85 1j7m n ASP 49 N -4.47 1.06 0.04 6.45 8.00 -1.22 -4.62 116.55 121.79 1j7m n ASP 49 Ca 0.26 0.45 -0.05 0.00 0.71 0.00 0.00 54.79 56.16 1j7m n ASP 49 Cb 1.03 -0.71 0.17 0.00 -0.02 0.00 0.00 41.12 41.58 1j7m n ASP 49 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1j7m h ASP 50 N -0.58 0.44 -6.43 -2.24 3.32 -1.49 -3.47 116.42 105.96 1j7m h ASP 50 Ca 0.00 -0.18 -0.49 0.00 0.02 0.00 0.00 57.03 56.38 1j7m h ASP 50 Cb 0.32 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1j7m h ASP 50 CO 0.00 0.79 -0.83 0.54 -1.72 0.00 0.00 179.24 178.01 1j7m n ARG 51 N -4.04 -4.14 -3.89 3.56 1.74 0.17 -4.96 116.66 105.09 1j7m n ARG 51 Ca -0.01 0.49 -0.35 0.00 -0.77 0.00 0.00 57.85 57.20 1j7m n ARG 51 Cb 0.49 -5.03 -0.14 0.00 -1.02 0.00 0.00 32.46 26.76 1j7m n ARG 51 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j7m s LYS 52 N -6.55 3.38 0.32 5.56 1.02 -1.26 -5.05 119.74 117.16 1j7m s LYS 52 Ca 0.34 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.74 1j7m s LYS 52 Cb -0.18 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1j7m s LYS 52 CO 0.87 -0.21 0.11 1.67 -0.92 0.00 0.00 175.35 176.88 1j7m s TRP 53 N 1.49 1.72 -0.22 3.18 1.48 -1.26 -1.33 118.94 123.99 1j7m s TRP 53 Ca 0.06 -1.20 -0.27 0.00 -1.06 0.00 0.00 56.10 53.62 1j7m s TRP 53 Cb -0.14 -1.05 0.12 0.00 -1.16 0.00 0.00 33.47 31.24 1j7m s TRP 53 CO -0.03 -0.29 0.98 0.20 -4.06 0.00 0.00 176.95 173.75 1j7m s GLY 54 N -3.44 -0.24 0.79 3.67 0.00 -0.26 -1.28 107.32 106.56 1j7m s GLY 54 Ca 0.33 2.32 -0.14 0.00 0.00 0.00 0.00 44.72 47.24 1j7m s GLY 54 CO 0.15 1.49 0.97 0.69 0.00 0.00 0.00 173.10 176.41 1j7m n PHE 55 N 1.64 0.57 -2.25 1.90 3.72 0.60 0.10 117.46 123.75 1j7m n PHE 55 Ca -0.12 0.38 -0.39 0.00 -0.05 0.00 0.00 57.45 57.27 1j7m n PHE 55 Cb 0.57 -2.04 -0.02 0.00 -0.94 0.00 0.00 39.48 37.04 1j7m n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7m n PRO 57 N 0.11 2.63 -1.71 0.00 -0.04 -1.26 -4.83 135.00 129.90 1j7m n PRO 57 Ca 0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 1j7m n PRO 57 Cb 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1j7m n PRO 57 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1j7m s ASP 58 N -1.41 6.13 -0.40 3.54 2.15 -1.26 -4.86 116.67 120.57 1j7m s ASP 58 Ca 0.00 2.29 0.04 0.00 0.43 0.00 0.00 52.55 55.31 1j7m s ASP 58 Cb 0.00 -2.52 0.62 0.00 -0.30 0.00 0.00 42.92 40.72 1j7m s ASP 58 CO 0.00 -1.36 1.83 0.00 -0.17 0.00 0.00 175.17 175.47 1j7m n GLN 59 N 7.92 2.33 0.00 4.34 6.02 -1.26 -5.24 117.38 131.50 1j7m n GLN 59 Ca 0.23 -2.77 0.16 0.00 -0.01 0.00 0.00 57.00 54.61 1j7m n GLN 59 Cb 0.43 -2.09 0.89 0.00 1.02 0.00 0.00 30.24 30.48 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46