#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jma s ASP 2 N 0.00 0.71 -0.39 7.83 -1.08 -1.26 -5.07 116.67 117.40 2jma s ASP 2 Ca 0.00 -1.27 0.11 0.00 -0.52 0.00 0.00 52.55 50.88 2jma s ASP 2 Cb 0.00 0.23 0.42 0.00 -1.46 0.00 0.00 42.92 42.12 2jma s ASP 2 CO 0.00 -0.70 0.98 1.21 0.52 0.00 0.00 175.17 177.18 2jma n GLU 3 N -0.24 2.17 -3.94 4.34 2.13 -1.26 -4.84 120.64 118.99 2jma n GLU 3 Ca -0.03 -3.88 -0.32 0.00 0.66 0.00 0.00 57.16 53.59 2jma n GLU 3 Cb 0.64 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.60 2jma n GLU 3 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jma n THR 4 N -0.20 -1.46 -2.81 6.31 -2.24 -1.26 -4.89 114.28 107.74 2jma n THR 4 Ca 0.24 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.65 2jma n THR 4 Cb 0.70 -2.23 -0.00 0.00 -2.10 0.00 0.00 70.33 66.70 2jma n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jma n GLY 5 N -1.49 5.81 0.00 3.38 0.00 -1.26 -4.94 105.19 106.70 2jma n GLY 5 Ca 0.05 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.41 2jma n GLY 5 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jma n LYS 6 N 0.11 0.00 -1.64 1.61 2.85 -1.26 -5.11 118.16 114.72 2jma n LYS 6 Ca 0.39 0.00 -0.58 0.00 -1.05 0.00 0.00 58.31 57.07 2jma n LYS 6 Cb 0.31 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.61 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 0.93 -4.53 -1.58 0.00 -1.26 -4.87 120.64 109.33 2jma n GLU 7 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 57.16 57.18 2jma n GLU 7 Cb 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 31.44 29.27 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jma s LEU 8 N 4.31 2.65 0.13 4.31 1.43 -1.26 0.40 118.68 130.65 2jma s LEU 8 Ca 1.03 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.70 2jma s LEU 8 Cb -1.12 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2jma s LEU 8 CO 0.65 0.23 -0.10 0.68 0.23 0.00 0.00 176.35 178.04 2jma s VAL 9 N -1.01 1.09 -0.11 -1.59 -7.23 0.42 -1.87 120.40 110.10 2jma s VAL 9 Ca 0.16 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2jma s VAL 9 Cb -0.11 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2jma s VAL 9 CO 0.07 -0.70 -0.06 -0.22 -0.31 0.00 0.00 175.10 173.88 2jma s LEU 10 N -2.97 3.18 -0.47 1.32 2.96 0.26 -0.74 118.68 122.21 2jma s LEU 10 Ca 0.14 -0.09 -0.26 0.00 -0.22 0.00 0.00 54.13 53.70 2jma s LEU 10 Cb 0.01 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2jma s LEU 10 CO 0.00 0.26 0.96 0.00 -1.32 0.00 0.00 176.35 176.26 2jma s ALA 11 N -0.20 3.21 0.27 5.97 0.00 -0.92 -1.26 121.76 128.83 2jma s ALA 11 Ca 0.03 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.31 2jma s ALA 11 Cb -0.13 -3.69 0.34 0.00 0.00 0.00 0.00 23.12 19.64 2jma s ALA 11 CO 0.03 -2.13 1.61 -0.07 0.00 0.00 0.00 175.76 175.19 2jma h LEU 12 N 10.73 0.01 -8.31 0.00 4.07 -0.95 -2.61 115.31 118.24 2jma h LEU 12 Ca -0.24 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.56 2jma h LEU 12 Cb 1.07 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.68 2jma h LEU 12 CO 1.05 0.63 -0.46 -0.31 -1.08 0.00 0.00 178.44 178.27 2jma s TYR 13 N -3.60 0.69 0.26 1.13 2.02 -1.25 -4.83 117.35 111.77 2jma s TYR 13 Ca -0.01 -1.03 -0.30 0.00 -0.37 0.00 0.00 57.07 55.36 2jma s TYR 13 Cb 0.13 -0.27 -0.09 0.00 -0.40 0.00 0.00 41.96 41.33 2jma s TYR 13 CO 0.76 -0.67 0.97 0.16 -1.57 0.00 0.00 175.55 175.21 2jma s ASP 14 N -3.04 7.54 -0.01 2.29 -4.77 -1.26 -3.96 116.67 113.47 2jma s ASP 14 Ca 0.24 2.00 -0.02 0.00 -3.30 0.00 0.00 52.55 51.47 2jma s ASP 14 Cb 0.05 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 2jma s ASP 14 CO 0.04 0.08 0.05 -0.47 0.70 0.00 0.00 175.17 175.57 2jma s TYR 15 N -1.21 0.01 -0.06 2.11 5.04 -0.59 -4.98 117.35 117.66 2jma s TYR 15 Ca 0.43 -0.02 0.04 0.00 -2.44 0.00 0.00 57.07 55.08 2jma s TYR 15 Cb -0.27 -0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.00 2jma s TYR 15 CO 0.33 -0.10 -0.19 -1.14 -1.34 0.00 0.00 175.55 173.11 2jma s GLN 16 N -0.47 2.64 0.25 4.97 2.00 -1.26 -1.46 119.66 126.33 2jma s GLN 16 Ca -0.05 -0.78 -0.31 0.00 -2.00 0.00 0.00 55.36 52.22 2jma s GLN 16 Cb -0.03 -2.33 -0.11 0.00 0.80 0.00 0.00 33.01 31.34 2jma s GLN 16 CO 0.00 0.47 1.60 -1.83 -0.50 0.00 0.00 175.29 175.03 2jma s GLU 17 N -0.34 4.16 -0.04 1.67 -1.05 -1.26 -4.89 118.70 116.94 2jma s GLU 17 Ca 0.03 2.52 0.17 0.00 -0.15 0.00 0.00 54.97 57.53 2jma s GLU 17 Cb -0.12 -3.06 -0.25 0.00 -0.44 0.00 0.00 34.13 30.25 2jma s GLU 17 CO 0.02 -0.63 0.32 1.63 0.95 0.00 0.00 175.26 177.56 2jma n LYS 18 N 2.85 0.65 -4.29 -4.83 5.02 -1.26 -4.98 118.16 111.32 2jma n LYS 18 Ca 0.10 -0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 2jma n LYS 18 Cb 0.37 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.88 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 -4.10 1.04 0.04 4.39 1.04 -1.26 -5.02 113.70 109.82 2jma s SER 19 Ca -0.06 -1.36 0.09 0.00 0.48 0.00 0.00 55.95 55.10 2jma s SER 19 Cb 0.10 0.19 0.39 0.00 0.10 0.00 0.00 66.02 66.80 2jma s SER 19 CO 0.70 -0.73 1.28 -2.65 0.98 0.00 0.00 173.24 172.82 2jma n PRO 20 N -0.41 0.02 -0.72 4.02 -0.02 -1.26 -1.16 135.00 135.48 2jma n PRO 20 Ca -0.01 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 2jma n PRO 20 Cb 0.66 -1.55 0.31 0.00 -0.02 0.00 0.00 33.50 32.90 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 -1.53 3.66 -2.45 3.55 0.00 -1.26 -4.95 120.51 117.53 2jma n ALA 21 Ca 0.01 -2.25 -0.20 0.00 0.00 0.00 0.00 53.44 51.00 2jma n ALA 21 Cb 0.09 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.87 1.22 0.07 0.00 2.02 -0.31 -0.12 118.70 118.72 2jma s GLU 22 Ca 0.49 -1.39 0.05 0.00 0.02 0.00 0.00 54.97 54.13 2jma s GLU 22 Cb 0.39 -1.20 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 2jma s GLU 22 CO 0.11 0.24 -0.13 0.14 0.02 0.00 0.00 175.26 175.64 2jma s VAL 23 N -2.20 1.06 -0.10 2.63 -7.23 -0.97 -4.64 120.40 108.95 2jma s VAL 23 Ca 0.15 -1.33 -0.21 0.00 -1.81 0.00 0.00 61.98 58.78 2jma s VAL 23 Cb -0.05 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 2jma s VAL 23 CO 0.06 -0.27 0.59 -0.89 -0.31 0.00 0.00 175.10 174.27 2jma s THR 24 N -1.41 5.11 0.29 5.32 2.01 -1.26 -3.98 115.64 121.71 2jma s THR 24 Ca -0.02 1.19 0.07 0.00 0.31 0.00 0.00 61.69 63.25 2jma s THR 24 Cb -0.09 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2jma s THR 24 CO 0.02 0.28 -0.07 0.00 -0.69 0.00 0.00 174.62 174.16 2jma s MET 25 N 0.78 1.59 0.06 4.92 0.23 -0.54 -4.97 119.30 121.37 2jma s MET 25 Ca 0.31 -1.80 0.03 0.00 -1.03 0.00 0.00 55.69 53.20 2jma s MET 25 Cb -0.16 -1.25 -0.03 0.00 -1.53 0.00 0.00 34.83 31.86 2jma s MET 25 CO 0.14 0.06 -0.09 0.15 -2.03 0.00 0.00 175.02 173.25 2jma s LYS 26 N -3.70 0.63 0.13 3.16 3.01 -1.26 -1.55 119.74 120.16 2jma s LYS 26 Ca 0.30 -0.88 -0.31 0.00 -1.01 0.00 0.00 55.97 54.07 2jma s LYS 26 Cb 0.03 -0.38 -0.11 0.00 -1.01 0.00 0.00 37.83 36.36 2jma s LYS 26 CO 0.13 0.07 1.84 1.17 0.51 0.00 0.00 175.35 179.06 2jma n LYS 27 N 1.21 2.83 -0.06 1.68 3.00 -1.25 -1.40 118.16 124.17 2jma n LYS 27 Ca -0.21 1.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.13 2jma n LYS 27 Cb 0.55 -2.93 0.00 0.00 0.00 0.00 0.00 35.03 32.66 2jma n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jma n GLY 28 N 4.24 0.53 3.78 3.14 0.00 -0.98 -5.02 105.19 110.89 2jma n GLY 28 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 6.92 -0.38 1.61 2.15 -0.50 -4.92 116.67 118.56 2jma s ASP 29 Ca 0.00 1.09 -0.19 0.00 0.43 0.00 0.00 52.55 53.89 2jma s ASP 29 Cb 0.00 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2jma s ASP 29 CO 0.00 0.17 0.54 -0.63 -0.17 0.00 0.00 175.17 175.09 2jma s ILE 30 N -0.47 4.97 0.09 4.11 1.09 -1.26 -2.16 121.20 127.58 2jma s ILE 30 Ca 0.28 0.24 -0.03 0.00 -1.10 0.00 0.00 60.65 60.05 2jma s ILE 30 Cb -0.18 -4.03 -0.05 0.00 -1.06 0.00 0.00 42.46 37.14 2jma s ILE 30 CO 0.16 -0.33 0.30 -0.76 -0.10 0.00 0.00 174.94 174.21 2jma s LEU 31 N 2.48 4.32 -0.27 2.97 2.01 0.08 -4.86 118.68 125.41 2jma s LEU 31 Ca 0.19 0.45 -0.11 0.00 0.01 0.00 0.00 54.13 54.68 2jma s LEU 31 Cb -0.15 -3.10 -0.05 0.00 0.01 0.00 0.00 46.19 42.90 2jma s LEU 31 CO 0.15 0.12 0.19 -0.89 1.01 0.00 0.00 176.35 176.92 2jma s THR 32 N -1.56 5.32 -0.04 5.49 2.01 -0.95 -0.44 115.64 125.47 2jma s THR 32 Ca 0.37 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 2jma s THR 32 Cb -0.13 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2jma s THR 32 CO 0.25 0.27 1.25 -0.76 -0.69 0.00 0.00 174.62 174.94 2jma s LEU 33 N 1.59 4.29 -0.14 4.42 1.43 0.16 -0.68 118.68 129.75 2jma s LEU 33 Ca 0.07 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 2jma s LEU 33 Cb -0.15 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 2jma s LEU 33 CO 0.09 -0.61 -0.10 0.18 0.23 0.00 0.00 176.35 176.14 2jma n LEU 34 N 5.16 2.55 -3.68 1.79 4.77 0.86 -4.57 117.00 123.88 2jma n LEU 34 Ca 0.11 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 2jma n LEU 34 Cb 0.46 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2jma n LEU 34 CO 0.56 0.68 0.14 0.21 -1.33 0.00 0.00 177.39 177.65 2jma s ASN 35 N -5.25 -0.63 -0.19 -1.43 3.84 -0.83 -4.99 114.94 105.47 2jma s ASN 35 Ca -0.17 1.07 0.19 0.00 0.21 0.00 0.00 52.86 54.15 2jma s ASN 35 Cb 0.05 0.96 0.46 0.00 -0.55 0.00 0.00 41.25 42.17 2jma s ASN 35 CO 0.35 -0.20 1.16 -1.54 -2.79 0.00 0.00 177.10 174.08 2jma n SER 36 N 4.14 2.08 0.00 -4.21 3.41 -1.26 -0.36 113.62 117.43 2jma n SER 36 Ca -0.22 -2.62 0.11 0.00 -0.26 0.00 0.00 58.87 55.88 2jma n SER 36 Cb 0.56 -0.41 0.50 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.39 0.44 -4.12 6.66 5.66 -1.26 -4.68 114.28 116.59 2jma n THR 37 Ca 0.16 0.11 -0.30 0.00 -3.05 0.00 0.00 64.05 60.97 2jma n THR 37 Cb 0.92 -0.73 -0.08 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.88 5.10 0.00 1.09 3.84 -1.26 -5.02 114.94 115.81 2jma s ASN 38 Ca 0.14 -0.16 0.20 0.00 0.21 0.00 0.00 52.86 53.25 2jma s ASN 38 Cb 0.15 -1.24 0.04 0.00 -0.55 0.00 0.00 41.25 39.65 2jma s ASN 38 CO 0.38 0.17 1.05 2.29 -2.79 0.00 0.00 177.10 178.20 2jma n LYS 39 N 0.48 1.57 -0.05 0.43 2.85 -1.26 -4.39 118.16 117.79 2jma n LYS 39 Ca -0.10 -1.18 -0.05 0.00 -1.05 0.00 0.00 58.31 55.93 2jma n LYS 39 Cb 0.52 -1.40 -0.08 0.00 -0.65 0.00 0.00 35.03 33.43 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 0.31 2.63 -3.97 -5.58 9.92 -1.26 -4.70 116.55 113.91 2jma n ASP 40 Ca 0.09 -0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.12 2jma n ASP 40 Cb 0.45 0.62 -0.16 0.00 -0.64 0.00 0.00 41.12 41.39 2jma n ASP 40 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2jma s TRP 41 N -2.24 1.13 -0.07 1.24 0.52 -1.26 -0.64 118.94 117.62 2jma s TRP 41 Ca -0.06 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.73 2jma s TRP 41 Cb 0.03 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.47 2jma s TRP 41 CO 0.39 -0.23 -0.23 -1.58 0.02 0.00 0.00 176.95 175.32 2jma s TRP 42 N 0.72 2.51 -0.17 -1.98 0.52 0.11 -4.15 118.94 116.50 2jma s TRP 42 Ca -0.13 -0.77 -0.24 0.00 0.02 0.00 0.00 56.10 54.99 2jma s TRP 42 Cb -0.15 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2jma s TRP 42 CO 0.02 -0.25 0.76 0.21 0.02 0.00 0.00 176.95 177.71 2jma s LYS 43 N -0.03 4.28 0.20 4.98 2.20 0.51 -0.52 119.74 131.36 2jma s LYS 43 Ca -0.07 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 2jma s LYS 43 Cb -0.15 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 2jma s LYS 43 CO 0.05 -0.28 0.05 0.14 -0.36 0.00 0.00 175.35 174.95 2jma s VAL 44 N 1.99 0.54 -0.10 4.02 -7.23 0.93 -0.09 120.40 120.45 2jma s VAL 44 Ca 0.35 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2jma s VAL 44 Cb -0.16 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.45 2jma s VAL 44 CO 0.12 -0.26 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.78 2jma s GLU 45 N -3.99 2.37 -0.27 4.82 2.12 0.14 -1.67 118.70 122.21 2jma s GLU 45 Ca 0.30 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 2jma s GLU 45 Cb 0.07 -1.95 0.03 0.00 0.26 0.00 0.00 34.13 32.54 2jma s GLU 45 CO 0.08 -0.00 -0.00 0.14 -0.54 0.00 0.00 175.26 174.93 2jma s VAL 46 N 0.81 3.25 0.00 3.70 -7.23 0.26 -2.24 120.40 118.95 2jma s VAL 46 Ca -0.10 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2jma s VAL 46 Cb -0.16 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2jma s VAL 46 CO 0.01 0.09 0.00 -0.46 -0.31 0.00 0.00 175.10 174.43 2jma n ASN 47 N 4.72 0.00 0.00 4.85 0.23 -1.26 -0.17 115.26 123.63 2jma n ASN 47 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 2jma n ASN 47 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.00 0.00 -4.74 0.53 -0.08 -1.26 -4.84 116.55 106.15 2jma n ASP 48 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2jma n ASP 48 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2jma n ASP 48 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jma s ARG 49 N 0.00 4.21 -0.09 -0.67 1.81 0.76 -4.68 118.95 120.30 2jma s ARG 49 Ca 0.00 0.21 0.01 0.00 -1.72 0.00 0.00 55.73 54.23 2jma s ARG 49 Cb 0.00 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 2jma s ARG 49 CO 0.00 0.28 -0.11 -0.65 -0.68 0.00 0.00 175.30 174.15 2jma s GLN 50 N 0.29 2.95 0.00 3.54 -0.21 -1.26 -0.57 119.66 124.40 2jma s GLN 50 Ca 0.20 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.94 2jma s GLN 50 Cb -0.14 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.30 2jma s GLN 50 CO 0.06 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 2jma n GLY 51 N 2.77 -1.72 3.89 3.09 0.00 -0.67 -4.70 105.19 107.85 2jma n GLY 51 Ca -0.18 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.46 3.47 0.06 1.61 0.40 0.83 -0.05 117.98 121.84 2jma s PHE 52 Ca 0.00 0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 56.92 2jma s PHE 52 Cb 0.00 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2jma s PHE 52 CO 0.00 0.41 0.04 0.14 0.70 0.00 0.00 175.22 176.51 2jma s VAL 53 N -1.67 0.19 0.14 -0.44 -7.23 0.32 -2.29 120.40 109.41 2jma s VAL 53 Ca 0.42 -1.58 -0.31 0.00 -1.81 0.00 0.00 61.98 58.70 2jma s VAL 53 Cb -0.12 -1.40 -0.10 0.00 0.56 0.00 0.00 36.38 35.31 2jma s VAL 53 CO 0.24 -0.87 1.73 -2.84 -0.31 0.00 0.00 175.10 173.04 2jma s PRO 54 N -3.77 4.16 0.55 4.82 0.02 -1.26 0.06 135.00 139.59 2jma s PRO 54 Ca 0.05 2.50 0.30 0.00 0.02 0.00 0.00 61.00 63.87 2jma s PRO 54 Cb 0.06 -3.42 1.61 0.00 0.02 0.00 0.00 34.50 32.77 2jma s PRO 54 CO -0.10 -0.76 2.13 0.00 -0.33 0.00 0.00 177.00 177.94 2jma h ALA 55 N 7.88 1.29 0.00 -1.55 0.00 -1.16 0.15 119.26 125.87 2jma h ALA 55 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jma h ALA 55 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jma h ALA 55 CO 0.94 0.10 0.00 0.00 0.00 0.00 0.00 179.25 180.29 2jma n ALA 56 N -2.26 2.33 0.64 0.00 0.00 -1.26 -2.64 120.51 117.32 2jma n ALA 56 Ca -0.02 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.40 2jma n ALA 56 Cb 0.20 -1.45 0.12 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.36 0.14 -4.08 0.00 4.02 0.03 -4.91 117.16 111.00 2jma n TYR 57 Ca 0.11 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.90 57.77 2jma n TYR 57 Cb 0.26 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.57 0.61 -0.01 -0.72 1.01 -1.08 -0.26 120.40 118.38 2jma s VAL 58 Ca 0.27 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jma s VAL 58 Cb 0.18 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 2jma s VAL 58 CO 0.26 -0.33 -0.07 -0.75 0.00 0.00 0.00 175.10 174.21 2jma s LYS 59 N -1.51 0.61 0.14 2.72 2.20 -0.39 -4.90 119.74 118.60 2jma s LYS 59 Ca -0.08 -0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 54.96 2jma s LYS 59 Cb -0.10 -0.59 -0.11 0.00 -1.51 0.00 0.00 37.83 35.53 2jma s LYS 59 CO 0.01 0.15 1.83 0.15 -0.36 0.00 0.00 175.35 177.13 2jma s LYS 60 N -0.15 4.13 0.37 4.03 3.01 -1.26 -0.57 119.74 129.30 2jma s LYS 60 Ca 0.02 2.62 0.20 0.00 -1.01 0.00 0.00 55.97 57.80 2jma s LYS 60 Cb -0.03 -3.54 0.27 0.00 -1.01 0.00 0.00 37.83 33.52 2jma s LYS 60 CO -0.00 -0.84 1.56 -0.07 0.51 0.00 0.00 175.35 176.50 2jma h LEU 61 N 8.45 0.00 0.00 3.17 3.38 -1.71 -3.46 115.31 125.13 2jma h LEU 61 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 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 0.95 0.23 0.00 -0.67 0.09 0.00 0.00 178.44 179.05