#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jma n ASP 2 N 0.00 0.82 -2.67 7.83 -0.08 -1.26 -5.10 116.55 116.10 2jma n ASP 2 Ca 0.00 -1.49 -0.09 0.00 -1.51 0.00 0.00 54.79 51.71 2jma n ASP 2 Cb 0.00 0.25 0.03 0.00 2.34 0.00 0.00 41.12 43.74 2jma n ASP 2 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jma n GLU 3 N -0.20 1.30 -4.50 -0.67 1.02 -1.26 -4.97 120.64 111.37 2jma n GLU 3 Ca -0.01 -3.33 -0.41 0.00 -0.02 0.00 0.00 57.16 53.39 2jma n GLU 3 Cb 0.14 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 2jma n GLU 3 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jma n THR 4 N -0.13 -0.22 -3.81 2.62 -1.04 -1.26 -4.88 114.28 105.56 2jma n THR 4 Ca 0.10 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 2jma n THR 4 Cb 0.81 -0.65 -0.12 0.00 -1.82 0.00 0.00 70.33 68.55 2jma n THR 4 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jma s GLY 5 N -3.41 2.59 0.00 3.41 0.00 -1.26 -4.98 107.32 103.66 2jma s GLY 5 Ca 0.72 -3.55 0.00 0.00 0.00 0.00 0.00 44.72 41.88 2jma s GLY 5 CO 1.02 1.28 0.00 0.58 0.00 0.00 0.00 173.10 175.98 2jma n LYS 6 N 2.19 0.00 -1.59 2.90 2.85 -1.26 -5.10 118.16 118.15 2jma n LYS 6 Ca 0.21 0.00 -0.52 0.00 -1.05 0.00 0.00 58.31 56.95 2jma n LYS 6 Cb 0.37 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.69 2jma n LYS 6 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2jma n GLU 7 N 0.00 1.42 -4.28 -1.58 4.07 -1.26 -4.88 120.64 114.13 2jma n GLU 7 Ca 0.00 0.47 -0.24 0.00 -0.06 0.00 0.00 57.16 57.34 2jma n GLU 7 Cb 0.00 -2.43 -0.08 0.00 -0.06 0.00 0.00 31.44 28.87 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2jma s LEU 8 N 5.42 3.09 0.07 4.31 1.43 -1.26 0.32 118.68 132.05 2jma s LEU 8 Ca 1.02 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2jma s LEU 8 Cb -0.86 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2jma s LEU 8 CO 0.54 -0.16 0.05 0.68 0.23 0.00 0.00 176.35 177.69 2jma s VAL 9 N -2.43 0.19 -0.11 -1.59 -7.23 0.48 -2.39 120.40 107.32 2jma s VAL 9 Ca 0.34 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2jma s VAL 9 Cb -0.03 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2jma s VAL 9 CO 0.20 -0.85 -0.07 -0.22 -0.31 0.00 0.00 175.10 173.86 2jma s LEU 10 N -2.91 3.13 -0.52 1.32 2.96 0.24 -0.93 118.68 121.97 2jma s LEU 10 Ca 0.08 -0.11 -0.27 0.00 -0.22 0.00 0.00 54.13 53.61 2jma s LEU 10 Cb 0.07 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 45.08 2jma s LEU 10 CO -0.09 0.26 1.06 0.00 -1.32 0.00 0.00 176.35 176.27 2jma s ALA 11 N -0.21 3.12 0.22 5.97 0.00 -0.56 -1.80 121.76 128.51 2jma s ALA 11 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2jma s ALA 11 Cb -0.13 -3.85 0.21 0.00 0.00 0.00 0.00 23.12 19.36 2jma s ALA 11 CO 0.03 -2.36 1.59 -0.07 0.00 0.00 0.00 175.76 174.94 2jma h LEU 12 N 11.24 0.61 -8.64 0.00 4.07 -1.12 -2.44 115.31 119.02 2jma h LEU 12 Ca -0.24 -0.27 -0.29 0.00 0.08 0.00 0.00 57.88 57.15 2jma h LEU 12 Cb 1.07 -0.17 -0.13 0.00 1.08 0.00 0.00 40.66 42.50 2jma h LEU 12 CO 1.11 0.94 -0.51 -0.31 -1.08 0.00 0.00 178.44 178.60 2jma s TYR 13 N -4.25 1.25 0.24 1.13 2.02 -1.25 -4.82 117.35 111.67 2jma s TYR 13 Ca -0.08 -1.40 -0.24 0.00 -0.37 0.00 0.00 57.07 54.99 2jma s TYR 13 Cb 0.12 -0.50 -0.09 0.00 -0.40 0.00 0.00 41.96 41.09 2jma s TYR 13 CO 0.82 -0.77 0.82 0.16 -1.57 0.00 0.00 175.55 175.01 2jma s ASP 14 N -3.21 7.27 -0.01 2.29 -4.77 -1.26 -3.74 116.67 113.22 2jma s ASP 14 Ca 0.37 1.63 -0.02 0.00 -3.30 0.00 0.00 52.55 51.24 2jma s ASP 14 Cb 0.04 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 2jma s ASP 14 CO 0.17 0.06 0.05 -0.47 0.70 0.00 0.00 175.17 175.68 2jma s TYR 15 N -1.43 -0.02 -0.11 2.11 5.04 -0.16 -4.96 117.35 117.82 2jma s TYR 15 Ca 0.43 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2jma s TYR 15 Cb -0.20 -0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.09 2jma s TYR 15 CO 0.24 -0.07 -0.12 -1.14 -1.34 0.00 0.00 175.55 173.13 2jma s GLN 16 N -0.24 3.22 0.33 4.97 2.00 -1.26 -1.29 119.66 127.39 2jma s GLN 16 Ca -0.03 -0.66 -0.29 0.00 -2.00 0.00 0.00 55.36 52.38 2jma s GLN 16 Cb -0.02 -2.61 -0.11 0.00 0.80 0.00 0.00 33.01 31.07 2jma s GLN 16 CO 0.00 0.32 1.44 -1.83 -0.50 0.00 0.00 175.29 174.72 2jma s GLU 17 N 0.08 4.21 -0.08 1.67 -1.05 -1.26 -4.90 118.70 117.37 2jma s GLU 17 Ca -0.05 2.42 0.06 0.00 -0.15 0.00 0.00 54.97 57.25 2jma s GLU 17 Cb -0.14 -3.03 -0.09 0.00 -0.44 0.00 0.00 34.13 30.43 2jma s GLU 17 CO 0.04 -0.42 0.01 1.63 0.95 0.00 0.00 175.26 177.47 2jma n LYS 18 N 1.06 2.36 -4.30 -4.83 5.02 -1.26 -4.98 118.16 111.22 2jma n LYS 18 Ca 0.02 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 2jma n LYS 18 Cb 0.40 -1.19 -0.08 0.00 -0.02 0.00 0.00 35.03 34.13 2jma n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jma s SER 19 N -4.08 4.23 0.00 4.39 1.04 -1.26 -5.00 113.70 113.02 2jma s SER 19 Ca -0.05 -1.07 0.12 0.00 0.48 0.00 0.00 55.95 55.43 2jma s SER 19 Cb 0.02 -0.50 0.66 0.00 0.10 0.00 0.00 66.02 66.30 2jma s SER 19 CO 0.29 -0.37 1.25 -2.65 0.98 0.00 0.00 173.24 172.74 2jma n PRO 20 N -1.06 0.25 -0.31 4.02 -0.02 -1.26 -1.41 135.00 135.22 2jma n PRO 20 Ca -0.03 0.11 0.09 0.00 -2.02 0.00 0.00 63.50 61.64 2jma n PRO 20 Cb 0.64 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.83 2jma n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jma n ALA 21 N -1.18 2.71 -2.43 3.55 0.00 -1.26 -5.00 120.51 116.90 2jma n ALA 21 Ca 0.07 -2.35 -0.26 0.00 0.00 0.00 0.00 53.44 50.90 2jma n ALA 21 Cb 0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 2jma n ALA 21 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jma s GLU 22 N -2.75 1.49 0.05 0.00 2.02 -0.50 -0.05 118.70 118.96 2jma s GLU 22 Ca 0.38 -1.52 0.04 0.00 0.02 0.00 0.00 54.97 53.89 2jma s GLU 22 Cb 0.31 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.75 2jma s GLU 22 CO 0.07 0.38 -0.13 0.14 0.02 0.00 0.00 175.26 175.74 2jma s VAL 23 N -1.75 1.00 0.07 2.63 -7.23 -0.88 -4.65 120.40 109.58 2jma s VAL 23 Ca 0.20 -1.14 -0.23 0.00 -1.81 0.00 0.00 61.98 59.00 2jma s VAL 23 Cb -0.07 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.85 2jma s VAL 23 CO 0.10 -0.17 0.71 -0.89 -0.31 0.00 0.00 175.10 174.53 2jma s THR 24 N -1.12 4.67 0.13 5.32 2.01 -1.26 -4.16 115.64 121.23 2jma s THR 24 Ca -0.02 1.52 0.03 0.00 0.31 0.00 0.00 61.69 63.53 2jma s THR 24 Cb -0.09 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2jma s THR 24 CO 0.02 0.44 -0.08 0.00 -0.69 0.00 0.00 174.62 174.31 2jma s MET 25 N -0.50 0.98 0.11 4.92 0.23 -0.41 -4.93 119.30 119.69 2jma s MET 25 Ca 0.35 -1.41 0.08 0.00 -1.03 0.00 0.00 55.69 53.67 2jma s MET 25 Cb -0.21 -0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 32.62 2jma s MET 25 CO 0.22 0.02 -0.19 0.15 -2.03 0.00 0.00 175.02 173.20 2jma s LYS 26 N -3.79 1.09 0.24 3.16 3.01 -1.26 -0.99 119.74 121.19 2jma s LYS 26 Ca 0.15 -1.17 -0.31 0.00 -1.01 0.00 0.00 55.97 53.63 2jma s LYS 26 Cb 0.04 -1.24 -0.12 0.00 -1.01 0.00 0.00 37.83 35.50 2jma s LYS 26 CO -0.01 0.28 1.66 0.21 0.51 0.00 0.00 175.35 178.00 2jma s LYS 27 N -2.09 4.13 0.00 1.68 2.47 -1.25 -2.19 119.74 122.49 2jma s LYS 27 Ca 0.07 2.58 0.00 0.00 -1.56 0.00 0.00 55.97 57.06 2jma s LYS 27 Cb -0.09 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2jma s LYS 27 CO 0.04 -0.70 0.00 0.41 0.16 0.00 0.00 175.35 175.27 2jma n GLY 28 N 3.28 0.77 3.87 5.54 0.00 -0.92 -5.00 105.19 112.74 2jma n GLY 28 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2jma n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jma s ASP 29 N -2.41 6.51 -0.42 1.61 -1.08 -0.93 -4.92 116.67 115.02 2jma s ASP 29 Ca 0.00 0.59 -0.17 0.00 -0.52 0.00 0.00 52.55 52.46 2jma s ASP 29 Cb 0.00 -2.11 0.02 0.00 -1.46 0.00 0.00 42.92 39.37 2jma s ASP 29 CO 0.00 0.33 0.40 -0.63 0.52 0.00 0.00 175.17 175.79 2jma s ILE 30 N -1.15 5.13 0.06 4.11 1.09 -1.26 -1.49 121.20 127.69 2jma s ILE 30 Ca 0.22 -0.45 -0.06 0.00 -1.10 0.00 0.00 60.65 59.25 2jma s ILE 30 Cb -0.13 -4.02 -0.05 0.00 -1.06 0.00 0.00 42.46 37.20 2jma s ILE 30 CO 0.11 -0.40 0.32 -0.76 -0.10 0.00 0.00 174.94 174.11 2jma s LEU 31 N 2.01 4.34 -0.18 2.97 2.01 -0.11 -4.92 118.68 124.81 2jma s LEU 31 Ca 0.10 0.60 -0.19 0.00 0.01 0.00 0.00 54.13 54.66 2jma s LEU 31 Cb -0.18 -2.94 -0.03 0.00 0.01 0.00 0.00 46.19 43.05 2jma s LEU 31 CO 0.12 0.17 0.52 -0.89 1.01 0.00 0.00 176.35 177.29 2jma s THR 32 N -1.43 5.12 -0.08 5.49 2.01 -1.21 -0.38 115.64 125.15 2jma s THR 32 Ca 0.33 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2jma s THR 32 Cb -0.13 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2jma s THR 32 CO 0.20 0.21 1.05 -0.76 -0.69 0.00 0.00 174.62 174.62 2jma s LEU 33 N 1.42 4.27 -0.12 4.42 1.43 0.15 -1.91 118.68 128.34 2jma s LEU 33 Ca 0.25 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.03 2jma s LEU 33 Cb -0.15 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2jma s LEU 33 CO 0.10 -0.46 -0.03 0.18 0.23 0.00 0.00 176.35 176.37 2jma n LEU 34 N 4.91 1.23 -3.68 1.79 4.77 0.86 -4.62 117.00 122.26 2jma n LEU 34 Ca 0.09 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 2jma n LEU 34 Cb 0.48 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2jma n LEU 34 CO 0.53 0.46 0.26 0.21 -1.33 0.00 0.00 177.39 177.51 2jma s ASN 35 N -4.73 -0.59 -0.17 -1.43 3.84 -1.00 -4.98 114.94 105.88 2jma s ASN 35 Ca -0.11 1.14 0.21 0.00 0.21 0.00 0.00 52.86 54.31 2jma s ASN 35 Cb 0.04 1.15 0.44 0.00 -0.55 0.00 0.00 41.25 42.33 2jma s ASN 35 CO 0.39 -0.20 1.17 -1.54 -2.79 0.00 0.00 177.10 174.13 2jma n SER 36 N 2.75 0.89 0.00 -4.21 3.41 -1.26 -1.02 113.62 114.18 2jma n SER 36 Ca -0.14 -2.03 0.12 0.00 -0.26 0.00 0.00 58.87 56.56 2jma n SER 36 Cb 0.56 -0.24 0.58 0.00 -0.26 0.00 0.00 64.21 64.85 2jma n SER 36 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2jma n THR 37 N -0.31 0.27 -4.14 6.66 5.66 -1.26 -4.72 114.28 116.44 2jma n THR 37 Ca 0.02 0.07 -0.30 0.00 -3.05 0.00 0.00 64.05 60.78 2jma n THR 37 Cb 0.91 -0.66 -0.08 0.00 -1.55 0.00 0.00 70.33 68.95 2jma n THR 37 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2jma s ASN 38 N -2.70 5.10 0.00 1.09 3.84 -1.26 -5.03 114.94 115.98 2jma s ASN 38 Ca 0.20 -0.14 0.23 0.00 0.21 0.00 0.00 52.86 53.36 2jma s ASN 38 Cb 0.16 -1.25 0.18 0.00 -0.55 0.00 0.00 41.25 39.79 2jma s ASN 38 CO 0.39 0.19 1.19 2.29 -2.79 0.00 0.00 177.10 178.37 2jma n LYS 39 N 0.64 0.77 0.00 0.43 2.85 -1.26 -4.39 118.16 117.21 2jma n LYS 39 Ca -0.11 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 56.56 2jma n LYS 39 Cb 0.52 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 2jma n LYS 39 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jma n ASP 40 N -0.60 4.77 -3.90 -5.58 8.00 -1.26 -4.75 116.55 113.23 2jma n ASP 40 Ca 0.09 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.34 2jma n ASP 40 Cb 0.40 0.89 -0.17 0.00 -0.02 0.00 0.00 41.12 42.22 2jma n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2jma s TRP 41 N -1.91 1.17 -0.06 1.24 0.52 -1.26 -0.24 118.94 118.41 2jma s TRP 41 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.68 2jma s TRP 41 Cb 0.00 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.30 2jma s TRP 41 CO 0.00 -0.37 -0.20 -1.58 0.02 0.00 0.00 176.95 174.82 2jma s TRP 42 N 1.40 2.56 -0.13 -1.98 0.52 0.73 -4.21 118.94 117.83 2jma s TRP 42 Ca -0.02 -0.45 -0.21 0.00 0.02 0.00 0.00 56.10 55.43 2jma s TRP 42 Cb -0.13 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2jma s TRP 42 CO -0.04 -0.04 0.63 0.21 0.02 0.00 0.00 176.95 177.73 2jma s LYS 43 N -0.39 4.32 0.28 4.98 2.20 -0.19 -0.33 119.74 130.61 2jma s LYS 43 Ca 0.03 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.35 2jma s LYS 43 Cb -0.12 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2jma s LYS 43 CO 0.02 -0.05 0.17 0.14 -0.36 0.00 0.00 175.35 175.27 2jma s VAL 44 N 1.26 0.17 -0.07 4.02 -7.23 0.87 -0.10 120.40 119.33 2jma s VAL 44 Ca 0.31 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2jma s VAL 44 Cb -0.16 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.27 2jma s VAL 44 CO 0.13 0.00 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.07 2jma s GLU 45 N -3.85 2.00 -0.18 4.82 2.12 -0.80 -1.53 118.70 121.27 2jma s GLU 45 Ca 0.38 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.18 2jma s GLU 45 Cb 0.05 -1.61 0.03 0.00 0.26 0.00 0.00 34.13 32.86 2jma s GLU 45 CO 0.18 0.09 -0.16 0.14 -0.54 0.00 0.00 175.26 174.97 2jma s VAL 46 N 0.50 1.88 0.00 3.70 -7.23 0.06 -3.29 120.40 116.02 2jma s VAL 46 Ca -0.14 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2jma s VAL 46 Cb -0.16 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2jma s VAL 46 CO 0.05 0.39 0.00 -0.46 -0.31 0.00 0.00 175.10 174.77 2jma n ASN 47 N 4.65 0.00 0.00 4.85 0.23 -1.26 -0.20 115.26 123.52 2jma n ASN 47 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 2jma n ASN 47 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2jma n ASN 47 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2jma n ASP 48 N 0.58 0.00 -4.72 0.53 2.03 -1.26 -5.01 116.55 108.71 2jma n ASP 48 Ca 0.00 -0.01 -0.38 0.00 0.52 0.00 0.00 54.79 54.91 2jma n ASP 48 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2jma n ASP 48 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jma s ARG 49 N 0.00 4.34 -0.11 -0.67 1.81 0.72 -4.47 118.95 120.57 2jma s ARG 49 Ca 0.00 0.50 -0.02 0.00 -1.72 0.00 0.00 55.73 54.49 2jma s ARG 49 Cb 0.00 -3.45 -0.03 0.00 -0.45 0.00 0.00 34.95 31.02 2jma s ARG 49 CO 0.00 0.11 -0.01 -0.65 -0.68 0.00 0.00 175.30 174.07 2jma s GLN 50 N 0.75 3.19 0.00 3.54 -0.21 -1.26 -0.76 119.66 124.91 2jma s GLN 50 Ca 0.27 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2jma s GLN 50 Cb -0.15 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.03 2jma s GLN 50 CO 0.11 0.56 0.00 0.41 -2.12 0.00 0.00 175.29 174.25 2jma n GLY 51 N 2.59 -1.50 3.90 3.09 0.00 -0.58 -4.76 105.19 107.93 2jma n GLY 51 Ca -0.18 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 2jma n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jma s PHE 52 N -2.51 3.50 0.05 1.61 0.40 0.93 -0.09 117.98 121.86 2jma s PHE 52 Ca 0.00 0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 2jma s PHE 52 Cb 0.00 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2jma s PHE 52 CO 0.00 0.50 -0.02 0.14 0.70 0.00 0.00 175.22 176.53 2jma s VAL 53 N -1.58 0.20 0.14 -0.44 -7.23 0.55 -2.07 120.40 109.96 2jma s VAL 53 Ca 0.38 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.60 2jma s VAL 53 Cb -0.12 -1.30 -0.11 0.00 0.56 0.00 0.00 36.38 35.41 2jma s VAL 53 CO 0.25 -0.91 1.83 -2.84 -0.31 0.00 0.00 175.10 173.13 2jma s PRO 54 N -3.50 4.13 0.54 4.82 0.02 -1.26 -0.19 135.00 139.56 2jma s PRO 54 Ca 0.03 2.62 0.27 0.00 0.02 0.00 0.00 61.00 63.94 2jma s PRO 54 Cb 0.05 -3.54 1.54 0.00 0.02 0.00 0.00 34.50 32.57 2jma s PRO 54 CO -0.08 -0.84 2.13 0.00 -0.33 0.00 0.00 177.00 177.87 2jma h ALA 55 N 8.44 1.38 0.00 -1.55 0.00 -0.90 0.40 119.26 127.03 2jma h ALA 55 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jma h ALA 55 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jma h ALA 55 CO 0.95 0.11 0.00 0.00 0.00 0.00 0.00 179.25 180.31 2jma n ALA 56 N -2.31 2.07 0.62 0.00 0.00 -1.26 -2.47 120.51 117.16 2jma n ALA 56 Ca -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2jma n ALA 56 Cb 0.19 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.40 2jma n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jma n TYR 57 N -1.50 0.20 -4.06 0.00 4.02 0.12 -4.94 117.16 111.00 2jma n TYR 57 Ca 0.06 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.90 57.71 2jma n TYR 57 Cb 0.27 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.47 2jma n TYR 57 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jma s VAL 58 N -1.62 0.48 0.00 -0.72 1.01 -1.03 -0.48 120.40 118.04 2jma s VAL 58 Ca 0.29 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2jma s VAL 58 Cb 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2jma s VAL 58 CO 0.28 -0.34 -0.07 -0.75 0.00 0.00 0.00 175.10 174.22 2jma s LYS 59 N -1.40 0.53 0.24 2.72 2.36 -0.74 -4.89 119.74 118.55 2jma s LYS 59 Ca -0.09 -0.30 -0.31 0.00 -2.55 0.00 0.00 55.97 52.71 2jma s LYS 59 Cb -0.09 -0.49 -0.12 0.00 -1.05 0.00 0.00 37.83 36.08 2jma s LYS 59 CO 0.00 0.13 1.63 1.63 1.55 0.00 0.00 175.35 180.29 2jma n LYS 60 N 2.73 2.62 0.14 4.03 4.01 -1.26 -0.59 118.16 129.83 2jma n LYS 60 Ca -0.14 0.94 0.06 0.00 -0.51 0.00 0.00 58.31 58.66 2jma n LYS 60 Cb 0.57 -2.73 0.05 0.00 -0.51 0.00 0.00 35.03 32.41 2jma n LYS 60 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2jma h LEU 61 N 5.64 0.00 0.00 -0.35 3.38 -1.81 -3.46 115.31 118.71 2jma h LEU 61 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jma h LEU 61 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jma h LEU 61 CO 0.86 0.29 0.00 -0.67 0.09 0.00 0.00 178.44 179.01