#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr n ALA 2 N 0.00 0.00 -0.48 3.04 0.00 -1.26 -5.16 120.51 116.65 2jmr n ALA 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2jmr n ALA 2 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2jmr n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmr n ASP 3 N 0.00 -2.96 -4.31 0.00 9.92 -1.26 -5.11 116.55 112.84 2jmr n ASP 3 Ca 0.00 -0.41 -0.17 0.00 -0.53 0.00 0.00 54.79 53.68 2jmr n ASP 3 Cb 0.00 -0.95 -0.10 0.00 -0.64 0.00 0.00 41.12 39.43 2jmr n ASP 3 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2jmr s SER 4 N -2.27 1.21 -0.02 -2.24 1.04 -1.26 -5.04 113.70 105.13 2jmr s SER 4 Ca 0.54 -1.39 0.18 0.00 0.48 0.00 0.00 55.95 55.76 2jmr s SER 4 Cb -0.12 0.17 -0.26 0.00 0.10 0.00 0.00 66.02 65.90 2jmr s SER 4 CO 0.53 -0.73 0.44 1.07 0.98 0.00 0.00 173.24 175.53 2jmr n THR 5 N -0.47 0.00 -0.26 2.02 5.66 -1.26 -4.34 114.28 115.62 2jmr n THR 5 Ca 0.00 -0.36 0.06 0.00 -3.05 0.00 0.00 64.05 60.70 2jmr n THR 5 Cb 0.66 0.23 0.20 0.00 -1.55 0.00 0.00 70.33 69.87 2jmr n THR 5 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2jmr h ILE 6 N 0.00 0.65 0.00 1.09 5.03 -1.87 -1.03 117.51 121.38 2jmr h ILE 6 Ca 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 2jmr h ILE 6 Cb 0.75 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 34.70 2jmr h ILE 6 CO 0.00 0.08 0.00 1.07 -0.68 0.00 0.00 178.15 178.62 2jmr n THR 7 N -5.00 0.00 -1.62 -0.27 5.66 -1.26 -4.56 114.28 107.23 2jmr n THR 7 Ca 0.15 0.00 -0.48 0.00 -3.05 0.00 0.00 64.05 60.67 2jmr n THR 7 Cb 0.43 -0.16 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 2jmr n THR 7 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2jmr n ILE 8 N -0.34 0.68 0.49 1.09 2.08 -0.39 -4.89 119.36 118.08 2jmr n ILE 8 Ca 0.00 -0.17 0.07 0.00 0.56 0.00 0.00 62.75 63.21 2jmr n ILE 8 Cb 0.07 -1.10 0.30 0.00 -0.75 0.00 0.00 39.64 38.16 2jmr n ILE 8 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 2jmr n ARG 9 N 2.13 0.01 -3.18 0.38 1.85 -1.26 -4.41 116.66 112.17 2jmr n ARG 9 Ca 0.15 0.25 -0.21 0.00 -1.00 0.00 0.00 57.85 57.04 2jmr n ARG 9 Cb 0.26 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.11 2jmr n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jmr n GLY 10 N -0.05 1.63 0.19 2.89 0.00 -1.26 -5.06 105.19 103.53 2jmr n GLY 10 Ca 0.04 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.16 2jmr n GLY 10 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2jmr h TYR 11 N 5.04 0.00 -7.03 1.61 -0.00 -1.97 -3.46 116.97 111.15 2jmr h TYR 11 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 58.73 58.46 2jmr h TYR 11 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.67 2jmr h TYR 11 CO 0.24 0.00 -0.74 0.28 -0.00 0.00 0.00 178.16 177.93 2jmr n VAL 12 N -1.97 -1.92 -3.99 -0.90 0.31 -1.26 -1.62 118.33 106.98 2jmr n VAL 12 Ca -0.00 -0.38 -0.36 0.00 -0.01 0.00 0.00 64.34 63.58 2jmr n VAL 12 Cb 0.62 -1.64 -0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2jmr n VAL 12 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2jmr n ARG 13 N -3.76 -1.20 -0.18 5.55 0.00 -1.26 -4.67 116.66 111.14 2jmr n ARG 13 Ca -0.09 0.24 0.13 0.00 -0.00 0.00 0.00 57.85 58.12 2jmr n ARG 13 Cb 0.41 -3.50 0.24 0.00 0.00 0.00 0.00 32.46 29.61 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2jmr n ASP 14 N -2.58 0.06 -0.44 6.15 5.75 -0.64 -1.46 116.55 123.40 2jmr n ASP 14 Ca -0.18 0.92 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 2jmr n ASP 14 Cb 0.62 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2jmr n ASP 14 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jmr n ASN 15 N -4.46 0.33 -3.63 -1.12 5.03 -1.16 -3.77 115.26 106.47 2jmr n ASN 15 Ca 0.17 -0.75 -0.11 0.00 0.87 0.00 0.00 54.58 54.76 2jmr n ASN 15 Cb 0.56 -0.17 -0.07 0.00 -1.02 0.00 0.00 39.78 39.09 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jmr s GLY 16 N -0.74 -0.48 0.75 7.41 0.00 -0.54 -4.67 107.32 109.04 2jmr s GLY 16 Ca 0.00 2.26 -0.15 0.00 0.00 0.00 0.00 44.72 46.83 2jmr s GLY 16 CO 0.00 1.94 1.24 0.00 0.00 0.00 0.00 173.10 176.28 2jmr s SER 18 N -1.87 3.92 -0.04 0.00 0.01 -0.25 -4.92 113.70 110.56 2jmr s SER 18 Ca 0.77 1.99 -0.12 0.00 1.31 0.00 0.00 55.95 59.90 2jmr s SER 18 Cb -0.32 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.32 2jmr s SER 18 CO 0.47 -2.43 0.31 0.54 0.41 0.00 0.00 173.24 172.53 2jmr s VAL 19 N -2.75 5.21 0.88 3.43 0.11 -1.26 -2.19 120.40 123.83 2jmr s VAL 19 Ca 0.64 0.58 -0.12 0.00 -2.93 0.00 0.00 61.98 60.15 2jmr s VAL 19 Cb -0.20 -3.59 0.12 0.00 -1.53 0.00 0.00 36.38 31.18 2jmr s VAL 19 CO 0.56 0.58 1.13 0.00 -3.33 0.00 0.00 175.10 174.03 2jmr s ALA 20 N -1.08 1.88 0.27 1.54 0.00 -1.04 -4.81 121.76 118.53 2jmr s ALA 20 Ca 0.21 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 2jmr s ALA 20 Cb -0.15 -3.05 0.42 0.00 0.00 0.00 0.00 23.12 20.34 2jmr s ALA 20 CO 0.10 -2.16 1.89 0.00 0.00 0.00 0.00 175.76 175.60 2jmr h ALA 21 N -1.40 1.41 0.00 0.00 0.00 -1.91 0.89 119.26 118.25 2jmr h ALA 21 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jmr h ALA 21 Cb 1.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jmr h ALA 21 CO 0.61 0.45 0.00 -0.85 0.00 0.00 0.00 179.25 179.46 2jmr n GLU 22 N -4.49 0.23 -0.35 0.00 0.28 -1.26 -1.63 120.64 113.41 2jmr n GLU 22 Ca 0.15 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.21 2jmr n GLU 22 Cb 0.18 -1.47 0.09 0.00 1.43 0.00 0.00 31.44 31.66 2jmr n GLU 22 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jmr n SER 23 N -0.97 1.35 0.00 -1.84 2.88 0.29 -4.71 113.62 110.63 2jmr n SER 23 Ca 0.05 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 2jmr n SER 23 Cb 0.02 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2jmr n SER 23 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2jmr n THR 24 N -0.77 0.00 -3.39 2.46 -1.04 -0.69 -4.80 114.28 106.05 2jmr n THR 24 Ca 0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 2jmr n THR 24 Cb 0.69 -0.29 -0.09 0.00 -1.82 0.00 0.00 70.33 68.82 2jmr n THR 24 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2jmr s ASN 25 N -2.56 0.92 0.33 8.00 0.02 -0.64 -3.71 114.94 117.30 2jmr s ASN 25 Ca 0.00 -0.21 -0.09 0.00 -1.02 0.00 0.00 52.86 51.54 2jmr s ASN 25 Cb 0.00 0.77 0.01 0.00 0.02 0.00 0.00 41.25 42.06 2jmr s ASN 25 CO 0.00 -0.34 0.56 0.72 0.02 0.00 0.00 177.10 178.07 2jmr s PHE 26 N 2.44 0.64 0.27 2.20 -0.71 -1.26 -4.52 117.98 117.04 2jmr s PHE 26 Ca 0.10 -1.02 0.12 0.00 -1.04 0.00 0.00 56.93 55.09 2jmr s PHE 26 Cb -0.15 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.85 2jmr s PHE 26 CO -0.21 -1.22 -0.19 0.99 -1.34 0.00 0.00 175.22 173.25 2jmr s THR 27 N -3.10 2.53 -0.23 -4.49 2.01 -1.26 -4.27 115.64 106.83 2jmr s THR 27 Ca 0.24 -2.33 -0.01 0.00 0.31 0.00 0.00 61.69 59.90 2jmr s THR 27 Cb -0.02 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2jmr s THR 27 CO 0.15 -0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.94 2jmr s VAL 28 N -2.40 2.76 -0.03 3.82 1.01 -0.30 -4.99 120.40 120.27 2jmr s VAL 28 Ca 0.29 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2jmr s VAL 28 Cb -0.05 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2jmr s VAL 28 CO 0.15 0.30 1.01 -0.62 0.00 0.00 0.00 175.10 175.94 2jmr s ASP 29 N 1.33 7.30 -0.55 3.32 2.15 -1.26 -1.21 116.67 127.76 2jmr s ASP 29 Ca 0.02 1.66 0.06 0.00 0.43 0.00 0.00 52.55 54.71 2jmr s ASP 29 Cb -0.16 -2.57 0.35 0.00 -0.30 0.00 0.00 42.92 40.24 2jmr s ASP 29 CO -0.06 -0.34 0.94 -0.11 -0.17 0.00 0.00 175.17 175.43 2jmr n LEU 30 N 4.26 4.18 0.00 -1.34 7.94 -0.47 -4.92 117.00 126.66 2jmr n LEU 30 Ca 0.07 -5.59 0.00 0.00 -1.11 0.00 0.00 56.01 49.38 2jmr n LEU 30 Cb 0.50 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2jmr n LEU 30 CO 0.52 2.34 0.04 0.23 -1.11 0.00 0.00 177.39 179.42 2jmr n MET 31 N -0.22 0.00 -4.22 1.96 2.81 -1.26 -4.45 117.12 111.74 2jmr n MET 31 Ca 0.31 0.09 -0.16 0.00 -1.81 0.00 0.00 57.70 56.13 2jmr n MET 31 Cb 0.43 -0.16 -0.08 0.00 -0.71 0.00 0.00 33.22 32.71 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2jmr s GLU 32 N -1.46 1.58 0.10 0.03 2.02 -1.26 -4.49 118.70 115.21 2jmr s GLU 32 Ca 0.00 -1.83 0.01 0.00 0.02 0.00 0.00 54.97 53.17 2jmr s GLU 32 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 2jmr s GLU 32 CO 0.00 -0.58 -0.04 -0.80 0.02 0.00 0.00 175.26 173.86 2jmr s ASN 33 N -3.27 0.89 0.18 -0.19 -0.87 -0.09 -4.87 114.94 106.72 2jmr s ASN 33 Ca 0.38 -1.04 0.08 0.00 -1.57 0.00 0.00 52.86 50.71 2jmr s ASN 33 Cb 0.04 0.14 -0.04 0.00 -0.02 0.00 0.00 41.25 41.37 2jmr s ASN 33 CO 0.21 -0.54 -0.04 0.00 -2.57 0.00 0.00 177.10 174.16 2jmr s ALA 34 N -3.75 3.08 -0.01 0.60 0.00 -1.26 -0.82 121.76 119.60 2jmr s ALA 34 Ca 0.13 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 2jmr s ALA 34 Cb 0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 2jmr s ALA 34 CO -0.05 0.47 0.78 0.00 0.00 0.00 0.00 175.76 176.96 2jmr h ALA 35 N 2.76 -0.69 0.00 0.00 0.00 -0.87 -3.40 119.26 117.05 2jmr h ALA 35 Ca -0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2jmr h ALA 35 Cb 1.21 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jmr h ALA 35 CO 0.56 -0.65 -0.10 0.87 0.00 0.00 0.00 179.25 179.93 2jmr h LYS 36 N -0.96 0.00 0.00 0.00 1.57 -1.86 -2.21 116.57 113.11 2jmr h LYS 36 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2jmr h LYS 36 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jmr h LYS 36 CO 0.10 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 2jmr n GLN 37 N -3.27 0.16 -3.43 3.15 10.64 -1.26 -4.29 117.38 119.08 2jmr n GLN 37 Ca 0.00 0.51 -0.40 0.00 -1.83 0.00 0.00 57.00 55.29 2jmr n GLN 37 Cb 0.34 -1.88 -0.03 0.00 -0.86 0.00 0.00 30.24 27.81 2jmr n GLN 37 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jmr n PHE 38 N -2.19 4.32 -0.27 2.61 3.72 -0.83 -4.83 117.46 119.99 2jmr n PHE 38 Ca 0.01 -3.84 0.06 0.00 -0.05 0.00 0.00 57.45 53.63 2jmr n PHE 38 Cb 0.13 -1.33 0.18 0.00 -0.94 0.00 0.00 39.48 37.52 2jmr n PHE 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2jmr n ASN 39 N 2.22 3.12 -3.53 4.37 6.94 -1.26 -4.47 115.26 122.65 2jmr n ASN 39 Ca 0.24 -2.09 -0.10 0.00 -0.02 0.00 0.00 54.58 52.60 2jmr n ASN 39 Cb 0.37 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.48 2jmr n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jmr s ASN 40 N -1.07 -0.40 0.39 0.53 6.03 -1.26 -4.85 114.94 114.30 2jmr s ASN 40 Ca 0.27 0.20 0.21 0.00 -1.03 0.00 0.00 52.86 52.51 2jmr s ASN 40 Cb 0.15 0.38 0.53 0.00 -3.03 0.00 0.00 41.25 39.28 2jmr s ASN 40 CO 0.17 -0.54 1.66 0.40 -2.03 0.00 0.00 177.10 176.75 2jmr h ILE 41 N 2.28 0.55 0.00 0.54 5.03 -1.85 -1.88 117.51 122.18 2jmr h ILE 41 Ca -0.22 -1.48 0.00 0.00 -0.12 0.00 0.00 64.86 63.04 2jmr h ILE 41 Cb 1.21 2.04 0.00 0.00 -3.03 0.00 0.00 36.82 37.04 2jmr h ILE 41 CO 0.32 0.28 0.00 0.61 -0.68 0.00 0.00 178.15 178.68 2jmr n GLY 42 N 0.70 -0.82 3.69 5.37 0.00 -1.26 -4.45 105.19 108.42 2jmr n GLY 42 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s ALA 43 N -2.00 3.48 -0.04 4.61 0.00 -0.71 -5.04 121.76 122.07 2jmr s ALA 43 Ca 0.33 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2jmr s ALA 43 Cb 0.15 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2jmr s ALA 43 CO 0.25 -0.71 -0.10 0.95 0.00 0.00 0.00 175.76 176.16 2jmr s THR 44 N 1.96 0.87 0.70 0.00 -4.23 -1.26 -3.42 115.64 110.26 2jmr s THR 44 Ca 0.58 -0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 2jmr s THR 44 Cb -0.27 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 72.81 2jmr s THR 44 CO 0.24 0.28 1.07 0.42 -0.54 0.00 0.00 174.62 176.09 2jmr s THR 45 N 0.40 3.16 -0.51 3.99 -4.23 -1.24 -4.97 115.64 112.25 2jmr s THR 45 Ca -0.07 0.25 -0.27 0.00 -1.18 0.00 0.00 61.69 60.42 2jmr s THR 45 Cb -0.11 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2jmr s THR 45 CO 0.01 -0.44 1.84 -2.16 -0.54 0.00 0.00 174.62 173.33 2jmr s PRO 46 N -5.32 2.87 -0.40 3.99 0.04 -1.26 -4.86 135.00 130.06 2jmr s PRO 46 Ca 0.58 0.90 -0.40 0.00 0.04 0.00 0.00 61.00 62.12 2jmr s PRO 46 Cb -0.11 -4.32 -0.16 0.00 0.04 0.00 0.00 34.50 29.96 2jmr s PRO 46 CO 0.50 -2.42 2.03 1.33 0.04 0.00 0.00 177.00 178.48 2jmr n VAL 47 N 7.29 0.13 -2.35 -0.36 0.24 -1.26 -4.91 118.33 117.12 2jmr n VAL 47 Ca 0.21 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 62.00 2jmr n VAL 47 Cb 0.50 -1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 31.78 2jmr n VAL 47 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jmr s VAL 48 N 5.74 3.32 -0.23 3.34 1.01 0.13 -4.87 120.40 128.85 2jmr s VAL 48 Ca 1.11 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 64.03 2jmr s VAL 48 Cb -1.18 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 31.39 2jmr s VAL 48 CO 0.61 0.26 1.49 -2.16 0.00 0.00 0.00 175.10 175.29 2jmr s PRO 49 N -1.03 3.91 0.11 2.72 0.04 -1.26 -1.90 135.00 137.58 2jmr s PRO 49 Ca 0.49 1.57 0.09 0.00 0.04 0.00 0.00 61.00 63.19 2jmr s PRO 49 Cb -0.34 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2jmr s PRO 49 CO 0.42 -1.15 -0.22 0.12 0.04 0.00 0.00 177.00 176.21 2jmr s PHE 50 N 4.69 1.93 0.26 0.56 5.36 -0.66 -4.93 117.98 125.19 2jmr s PHE 50 Ca 0.65 -0.41 -0.20 0.00 -0.96 0.00 0.00 56.93 56.01 2jmr s PHE 50 Cb -0.23 -1.05 0.02 0.00 -0.34 0.00 0.00 43.02 41.43 2jmr s PHE 50 CO 0.26 0.24 0.68 -0.98 -1.46 0.00 0.00 175.22 173.96 2jmr s ARG 51 N -1.96 1.69 -0.27 10.12 1.04 -1.26 -1.23 118.95 127.07 2jmr s ARG 51 Ca 0.09 -0.94 -0.01 0.00 -1.04 0.00 0.00 55.73 53.82 2jmr s ARG 51 Cb -0.10 0.59 0.04 0.00 -2.04 0.00 0.00 34.95 33.44 2jmr s ARG 51 CO 0.05 -0.76 -0.04 0.42 -0.04 0.00 0.00 175.30 174.92 2jmr s ILE 52 N -3.90 2.88 -0.32 4.99 1.01 -1.26 -4.95 121.20 119.65 2jmr s ILE 52 Ca 0.11 -1.22 -0.26 0.00 0.00 0.00 0.00 60.65 59.28 2jmr s ILE 52 Cb -0.05 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.87 2jmr s ILE 52 CO 0.04 0.05 0.91 -0.22 0.00 0.00 0.00 174.94 175.72 2jmr s LEU 53 N 1.28 4.03 -0.32 2.97 1.98 -1.26 -3.90 118.68 123.45 2jmr s LEU 53 Ca -0.03 0.80 -0.08 0.00 -2.89 0.00 0.00 54.13 51.93 2jmr s LEU 53 Cb -0.18 -3.27 0.02 0.00 0.66 0.00 0.00 46.19 43.42 2jmr s LEU 53 CO -0.03 -0.74 0.12 -0.76 -1.89 0.00 0.00 176.35 173.05 2jmr s LEU 54 N 3.26 4.15 0.00 -0.68 2.01 -0.70 -2.49 118.68 124.24 2jmr s LEU 54 Ca 0.38 -0.83 0.00 0.00 0.01 0.00 0.00 54.13 53.69 2jmr s LEU 54 Cb -0.13 -1.92 0.00 0.00 0.01 0.00 0.00 46.19 44.15 2jmr s LEU 54 CO 0.14 -0.26 0.00 -0.24 1.01 0.00 0.00 176.35 177.00 2jmr n SER 55 N 4.89 0.00 -4.75 2.29 2.88 -0.93 -3.79 113.62 114.21 2jmr n SER 55 Ca -0.13 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.05 2jmr n SER 55 Cb 0.47 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2jmr n SER 55 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jmr s PRO 56 N -2.00 2.97 0.38 -1.46 0.04 -1.26 -3.56 135.00 130.11 2jmr s PRO 56 Ca 0.00 1.84 0.08 0.00 0.04 0.00 0.00 61.00 62.96 2jmr s PRO 56 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2jmr s PRO 56 CO 0.00 -1.21 0.14 0.00 0.04 0.00 0.00 177.00 175.97 2jmr n GLY 58 N -1.16 1.21 0.00 0.00 0.00 -1.25 -4.41 105.19 99.59 2jmr n GLY 58 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2jmr n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jmr n ASN 59 N 0.00 0.69 -3.95 1.61 2.04 -1.26 -1.23 115.26 113.15 2jmr n ASN 59 Ca 0.00 -0.85 -0.31 0.00 -0.44 0.00 0.00 54.58 52.98 2jmr n ASN 59 Cb 0.00 0.28 -0.15 0.00 -2.53 0.00 0.00 39.78 37.38 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jmr s ALA 60 N -0.28 2.62 0.06 -2.53 0.00 -1.26 -4.69 121.76 115.68 2jmr s ALA 60 Ca 0.00 -2.39 -0.27 0.00 0.00 0.00 0.00 51.96 49.31 2jmr s ALA 60 Cb 0.00 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.29 2jmr s ALA 60 CO 0.00 -1.70 0.65 0.08 0.00 0.00 0.00 175.76 174.79 2jmr s VAL 61 N 1.00 0.00 -0.04 0.00 1.01 -1.26 -2.99 120.40 118.12 2jmr s VAL 61 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2jmr s VAL 61 Cb -0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2jmr s VAL 61 CO -0.11 0.00 -0.09 -1.20 0.00 0.00 0.00 175.10 173.69 2jmr n SER 62 N 0.16 0.58 -3.32 3.32 7.64 -1.26 -4.87 113.62 115.87 2jmr n SER 62 Ca -0.17 0.10 -0.06 0.00 1.01 0.00 0.00 58.87 59.75 2jmr n SER 62 Cb 0.62 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 63 N -2.81 -1.23 0.30 -0.43 0.00 -1.26 -1.64 121.76 114.68 2jmr s ALA 63 Ca -0.08 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2jmr s ALA 63 Cb 0.01 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 2jmr s ALA 63 CO 0.12 -1.03 0.43 0.08 0.00 0.00 0.00 175.76 175.36 2jmr s VAL 64 N -2.62 4.44 0.24 0.00 1.01 -1.26 -3.98 120.40 118.24 2jmr s VAL 64 Ca 0.16 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2jmr s VAL 64 Cb -0.04 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2jmr s VAL 64 CO 0.07 -0.21 0.03 -0.54 0.00 0.00 0.00 175.10 174.45 2jmr s LYS 65 N -4.11 1.37 -0.33 2.72 3.01 0.16 -4.16 119.74 118.40 2jmr s LYS 65 Ca 0.42 -1.71 0.01 0.00 -1.01 0.00 0.00 55.97 53.68 2jmr s LYS 65 Cb -0.09 -0.53 0.15 0.00 -1.01 0.00 0.00 37.83 36.34 2jmr s LYS 65 CO 0.30 -0.16 0.34 0.54 0.51 0.00 0.00 175.35 176.88 2jmr s VAL 66 N -3.51 -0.35 -0.91 3.17 0.11 -1.26 -0.84 120.40 116.81 2jmr s VAL 66 Ca 0.31 -0.79 -0.13 0.00 -2.93 0.00 0.00 61.98 58.44 2jmr s VAL 66 Cb 0.07 -0.83 0.24 0.00 -1.53 0.00 0.00 36.38 34.32 2jmr s VAL 66 CO 0.10 -0.55 0.87 -0.83 -3.33 0.00 0.00 175.10 171.37 2jmr s GLY 67 N 1.84 2.83 -0.42 6.54 0.00 -0.47 -4.96 107.32 112.68 2jmr s GLY 67 Ca 0.14 -3.48 -0.28 0.00 0.00 0.00 0.00 44.72 41.10 2jmr s GLY 67 CO -0.16 1.28 1.05 -0.12 0.00 0.00 0.00 173.10 175.15 2jmr s PHE 68 N -0.25 2.96 -0.01 1.90 2.19 -1.26 -0.92 117.98 122.59 2jmr s PHE 68 Ca 0.22 0.78 -0.00 0.00 0.33 0.00 0.00 56.93 58.25 2jmr s PHE 68 Cb -0.10 -4.04 0.01 0.00 -1.31 0.00 0.00 43.02 37.59 2jmr s PHE 68 CO -0.09 -1.04 0.02 0.95 1.83 0.00 0.00 175.22 176.90 2jmr s THR 69 N 3.97 -0.03 0.00 0.12 -4.23 -0.41 -2.78 115.64 112.28 2jmr s THR 69 Ca 0.44 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2jmr s THR 69 Cb -0.10 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.69 2jmr s THR 69 CO 0.25 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2jmr n GLY 70 N 3.60 0.55 3.67 3.99 0.00 -1.26 -1.26 105.19 114.47 2jmr n GLY 70 Ca -0.19 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2jmr n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s VAL 71 N -2.10 3.64 0.29 1.61 0.11 -1.26 -4.83 120.40 117.86 2jmr s VAL 71 Ca 0.00 0.83 -0.28 0.00 -2.93 0.00 0.00 61.98 59.60 2jmr s VAL 71 Cb 0.00 -3.54 -0.09 0.00 -1.53 0.00 0.00 36.38 31.22 2jmr s VAL 71 CO 0.00 -0.06 0.95 0.00 -3.33 0.00 0.00 175.10 172.66 2jmr s ALA 72 N 3.70 3.27 0.02 1.54 0.00 -1.26 -0.41 121.76 128.62 2jmr s ALA 72 Ca 0.70 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 2jmr s ALA 72 Cb -0.32 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2jmr s ALA 72 CO 0.28 0.16 1.16 0.34 0.00 0.00 0.00 175.76 177.70 2jmr s ASP 73 N -1.38 7.12 0.61 0.00 2.15 -0.34 -4.46 116.67 120.36 2jmr s ASP 73 Ca 0.46 1.91 0.32 0.00 0.43 0.00 0.00 52.55 55.67 2jmr s ASP 73 Cb -0.23 -2.57 1.87 0.00 -0.30 0.00 0.00 42.92 41.70 2jmr s ASP 73 CO 0.28 -0.46 2.22 -1.28 -0.17 0.00 0.00 175.17 175.76 2jmr h SER 74 N 6.96 0.00 0.00 -0.34 0.87 -1.96 -1.34 113.55 117.75 2jmr h SER 74 Ca -0.40 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.13 2jmr h SER 74 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2jmr h SER 74 CO 0.82 0.00 -0.23 0.45 -0.53 0.00 0.00 176.83 177.34 2jmr h HIS 75 N 0.00 0.00 -3.04 2.24 3.86 -1.92 -3.42 115.15 112.87 2jmr h HIS 75 Ca 0.02 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.62 2jmr h HIS 75 Cb 0.17 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.23 2jmr h HIS 75 CO 0.00 0.86 -0.71 -0.80 0.86 0.00 0.00 177.93 178.15 2jmr s ASN 76 N -6.19 3.80 0.00 2.45 0.02 -1.05 -4.98 114.94 109.00 2jmr s ASN 76 Ca -0.17 -2.95 0.08 0.00 -1.02 0.00 0.00 52.86 48.80 2jmr s ASN 76 Cb -0.01 -1.22 0.35 0.00 0.02 0.00 0.00 41.25 40.39 2jmr s ASN 76 CO 0.53 -0.22 1.21 0.00 0.02 0.00 0.00 177.10 178.65 2jmr n ALA 77 N 3.13 1.41 -0.16 0.60 0.00 -0.53 -0.45 120.51 124.51 2jmr n ALA 77 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.49 2jmr n ALA 77 Cb 0.35 -1.13 0.16 0.00 0.00 0.00 0.00 19.45 18.83 2jmr n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jmr h ASN 78 N 0.00 0.85 -2.92 0.00 4.21 -1.88 -3.41 115.58 112.43 2jmr h ASN 78 Ca 0.00 -0.16 -0.47 0.00 1.21 0.00 0.00 56.30 56.88 2jmr h ASN 78 Cb 0.12 -0.22 0.02 0.00 -1.12 0.00 0.00 38.32 37.11 2jmr h ASN 78 CO 0.00 0.83 -0.11 -0.76 -1.29 0.00 0.00 177.43 176.09 2jmr s LEU 79 N -9.39 3.84 -0.10 1.61 2.01 0.41 -0.96 118.68 116.10 2jmr s LEU 79 Ca -0.10 0.49 -0.23 0.00 0.01 0.00 0.00 54.13 54.29 2jmr s LEU 79 Cb 0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 46.19 42.95 2jmr s LEU 79 CO 0.81 -0.46 0.71 -0.22 1.01 0.00 0.00 176.35 178.21 2jmr s LEU 80 N -4.46 4.27 1.16 1.79 0.20 -0.45 -1.20 118.68 119.99 2jmr s LEU 80 Ca 0.44 1.14 -0.18 0.00 0.69 0.00 0.00 54.13 56.22 2jmr s LEU 80 Cb -0.10 -3.09 0.27 0.00 -0.43 0.00 0.00 46.19 42.85 2jmr s LEU 80 CO 0.38 -0.18 1.12 0.00 -0.29 0.00 0.00 176.35 177.38 2jmr s ALA 81 N 1.17 0.74 0.70 5.97 0.00 0.46 -0.20 121.76 130.60 2jmr s ALA 81 Ca 0.37 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2jmr s ALA 81 Cb -0.17 -2.91 0.09 0.00 0.00 0.00 0.00 23.12 20.13 2jmr s ALA 81 CO 0.16 -3.43 0.58 1.28 0.00 0.00 0.00 175.76 174.35 2jmr n LEU 82 N -4.63 0.00 0.12 0.00 4.32 -1.26 -4.57 117.00 110.98 2jmr n LEU 82 Ca 0.12 -0.99 0.06 0.00 -0.02 0.00 0.00 56.01 55.18 2jmr n LEU 82 Cb 0.59 -0.40 0.32 0.00 -1.62 0.00 0.00 43.42 42.31 2jmr n LEU 82 CO 0.47 -0.83 0.73 -1.84 -1.22 0.00 0.00 177.39 174.70 2jmr n GLU 83 N -2.12 0.08 -4.14 3.23 0.28 0.33 -4.82 120.64 113.47 2jmr n GLU 83 Ca 0.09 0.53 -0.33 0.00 -0.16 0.00 0.00 57.16 57.29 2jmr n GLU 83 Cb 0.31 -1.96 -0.02 0.00 1.43 0.00 0.00 31.44 31.19 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -1.93 -2.56 -4.94 -1.84 2.85 -1.26 -4.98 115.26 100.61 2jmr n ASN 84 Ca -0.01 -1.00 -0.24 0.00 -0.11 0.00 0.00 54.58 53.22 2jmr n ASN 84 Cb 0.22 -2.88 -0.01 0.00 1.24 0.00 0.00 39.78 38.35 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2jmr s THR 85 N -3.49 4.93 0.59 -0.44 -1.32 -1.26 -4.98 115.64 109.67 2jmr s THR 85 Ca 0.53 -0.34 0.28 0.00 -1.21 0.00 0.00 61.69 60.96 2jmr s THR 85 Cb -0.29 -3.82 0.37 0.00 -1.51 0.00 0.00 72.50 67.25 2jmr s THR 85 CO 0.91 -0.59 2.02 -0.37 -2.21 0.00 0.00 174.62 174.39 2jmr h VAL 86 N 0.61 0.45 -0.03 5.08 -1.51 -1.99 -0.27 116.25 118.59 2jmr h VAL 86 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2jmr h VAL 86 Cb 1.22 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2jmr h VAL 86 CO 0.61 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.75 2jmr n SER 87 N -3.80 2.39 -4.74 4.19 7.64 -1.26 -4.97 113.62 113.07 2jmr n SER 87 Ca 0.04 -2.75 -0.34 0.00 1.01 0.00 0.00 58.87 56.83 2jmr n SER 87 Cb 0.45 -0.32 0.07 0.00 -1.01 0.00 0.00 64.21 63.41 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 88 N -2.31 2.28 1.20 -0.43 0.00 -0.11 -3.35 121.76 119.04 2jmr s ALA 88 Ca 0.24 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 2jmr s ALA 88 Cb 0.20 -3.41 0.29 0.00 0.00 0.00 0.00 23.12 20.20 2jmr s ALA 88 CO 0.03 -1.60 1.03 0.00 0.00 0.00 0.00 175.76 175.22 2jmr s ALA 89 N -2.07 -0.18 0.12 0.00 0.00 -1.15 -4.77 121.76 113.70 2jmr s ALA 89 Ca 0.72 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2jmr s ALA 89 Cb -0.26 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2jmr s ALA 89 CO 0.43 -3.82 -0.09 -1.12 0.00 0.00 0.00 175.76 171.15 2jmr s SER 90 N -3.03 1.46 -1.41 0.00 0.01 -1.25 -4.83 113.70 104.65 2jmr s SER 90 Ca 0.68 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2jmr s SER 90 Cb -0.19 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2jmr s SER 90 CO 0.61 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2jmr n GLY 91 N 0.00 0.45 2.51 3.44 0.00 -1.26 -4.68 105.19 105.64 2jmr n GLY 91 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 2jmr n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmr s LEU 92 N -4.84 1.59 0.35 0.99 1.43 -1.26 -0.72 118.68 116.22 2jmr s LEU 92 Ca 0.00 -2.60 -0.19 0.00 -1.03 0.00 0.00 54.13 50.32 2jmr s LEU 92 Cb 0.00 -0.58 -0.10 0.00 0.03 0.00 0.00 46.19 45.54 2jmr s LEU 92 CO 0.00 -0.25 0.84 -0.83 0.23 0.00 0.00 176.35 176.33 2jmr s GLY 93 N 0.53 2.43 0.08 -3.19 0.00 0.07 -4.74 107.32 102.50 2jmr s GLY 93 Ca 0.23 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.88 2jmr s GLY 93 CO -0.06 0.51 1.44 -0.42 0.00 0.00 0.00 173.10 174.57 2jmr s ILE 94 N -1.97 3.35 0.01 0.90 -1.09 0.72 -0.68 121.20 122.44 2jmr s ILE 94 Ca 0.56 0.90 0.06 0.00 -2.23 0.00 0.00 60.65 59.93 2jmr s ILE 94 Cb -0.11 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2jmr s ILE 94 CO 0.17 0.04 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.17 2jmr s GLN 95 N 1.71 2.23 -0.33 2.79 0.74 -0.91 -1.35 119.66 124.54 2jmr s GLN 95 Ca 0.66 -0.88 -0.00 0.00 0.05 0.00 0.00 55.36 55.19 2jmr s GLN 95 Cb -0.36 -2.25 0.13 0.00 1.10 0.00 0.00 33.01 31.63 2jmr s GLN 95 CO 0.29 0.57 0.23 -0.51 -0.55 0.00 0.00 175.29 175.32 2jmr s LEU 96 N -1.18 0.59 0.23 3.68 1.43 -1.26 -2.29 118.68 119.88 2jmr s LEU 96 Ca 0.14 -1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 51.48 2jmr s LEU 96 Cb -0.11 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 2jmr s LEU 96 CO 0.04 -0.34 0.42 -0.76 0.23 0.00 0.00 176.35 175.94 2jmr s LEU 97 N 1.49 4.20 0.96 1.79 1.02 0.29 -4.16 118.68 124.26 2jmr s LEU 97 Ca 0.15 0.41 -0.16 0.00 0.02 0.00 0.00 54.13 54.55 2jmr s LEU 97 Cb -0.19 -3.20 0.19 0.00 0.02 0.00 0.00 46.19 43.01 2jmr s LEU 97 CO -0.12 -0.08 1.30 0.54 0.02 0.00 0.00 176.35 178.01 2jmr s ASN 98 N -3.31 3.16 0.29 2.29 6.03 -1.20 -0.75 114.94 121.46 2jmr s ASN 98 Ca 0.39 0.34 -0.03 0.00 -1.03 0.00 0.00 52.86 52.52 2jmr s ASN 98 Cb -0.11 -0.43 0.59 0.00 -3.03 0.00 0.00 41.25 38.27 2jmr s ASN 98 CO 0.30 -2.71 1.54 1.21 -2.03 0.00 0.00 177.10 175.41 2jmr n GLU 99 N -3.77 -0.08 0.00 3.55 0.00 -0.09 -0.04 120.64 120.21 2jmr n GLU 99 Ca 0.14 1.51 0.06 0.00 0.00 0.00 0.00 57.16 58.87 2jmr n GLU 99 Cb 0.60 -2.32 0.33 0.00 0.00 0.00 0.00 31.44 30.04 2jmr n GLU 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2jmr n GLN 100 N -5.55 0.30 -2.27 5.31 6.02 -1.26 -4.81 117.38 115.11 2jmr n GLN 100 Ca 0.19 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 57.09 2jmr n GLN 100 Cb 0.61 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.36 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N -1.10 -1.91 -3.29 -1.09 6.02 0.95 -4.98 117.38 111.98 2jmr n GLN 101 Ca 0.08 0.79 -0.35 0.00 -0.01 0.00 0.00 57.00 57.50 2jmr n GLN 101 Cb 0.06 -5.36 -0.06 0.00 1.02 0.00 0.00 30.24 25.90 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmr s ASN 102 N -2.08 6.84 0.81 1.08 3.84 -1.26 -4.93 114.94 119.24 2jmr s ASN 102 Ca 0.00 1.14 -0.10 0.00 0.21 0.00 0.00 52.86 54.11 2jmr s ASN 102 Cb 0.00 -2.31 0.08 0.00 -0.55 0.00 0.00 41.25 38.46 2jmr s ASN 102 CO 0.00 0.04 1.10 -1.58 -2.79 0.00 0.00 177.10 173.87 2jmr s GLN 103 N -2.16 1.95 -0.13 0.43 0.74 -1.26 -3.21 119.66 116.02 2jmr s GLN 103 Ca 0.41 1.24 0.01 0.00 0.05 0.00 0.00 55.36 57.07 2jmr s GLN 103 Cb -0.14 -1.86 0.02 0.00 1.10 0.00 0.00 33.01 32.13 2jmr s GLN 103 CO 0.20 -1.89 -0.13 0.42 -0.55 0.00 0.00 175.29 173.34 2jmr s ILE 104 N -2.85 1.42 -0.15 -2.34 1.01 -1.26 -4.86 121.20 112.17 2jmr s ILE 104 Ca 0.62 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2jmr s ILE 104 Cb -0.18 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2jmr s ILE 104 CO 0.57 0.43 1.16 -2.16 0.00 0.00 0.00 174.94 174.94 2jmr s PRO 105 N 1.37 4.29 0.60 2.79 0.04 -1.26 -4.60 135.00 138.24 2jmr s PRO 105 Ca 0.01 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 2jmr s PRO 105 Cb -0.13 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 2jmr s PRO 105 CO -0.07 -0.57 1.33 -1.17 0.04 0.00 0.00 177.00 176.55 2jmr s LEU 106 N 2.92 3.70 0.00 -3.56 2.96 -0.13 -3.55 118.68 121.02 2jmr s LEU 106 Ca 0.52 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 2jmr s LEU 106 Cb -0.20 -4.46 0.00 0.00 0.50 0.00 0.00 46.19 42.03 2jmr s LEU 106 CO 0.15 -1.81 0.00 0.59 -1.32 0.00 0.00 176.35 173.95 2jmr n ASN 107 N -1.50 -5.12 -4.70 3.68 3.02 -1.12 -4.84 115.26 104.68 2jmr n ASN 107 Ca 0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.39 2jmr n ASN 107 Cb 0.47 -3.05 0.15 0.00 -0.61 0.00 0.00 39.78 36.73 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr s ALA 108 N -1.14 1.39 0.77 5.41 0.00 -1.23 -5.05 121.76 121.90 2jmr s ALA 108 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 2jmr s ALA 108 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.96 2jmr s ALA 108 CO 0.00 -2.49 1.11 -1.25 0.00 0.00 0.00 175.76 173.12 2jmr s PRO 109 N -4.87 2.31 0.00 0.00 0.04 -1.26 -4.93 135.00 126.29 2jmr s PRO 109 Ca 0.64 0.49 0.11 0.00 0.04 0.00 0.00 61.00 62.28 2jmr s PRO 109 Cb -0.19 -1.96 0.65 0.00 0.04 0.00 0.00 34.50 33.04 2jmr s PRO 109 CO 0.58 -1.43 1.08 0.45 0.04 0.00 0.00 177.00 177.72 2jmr n SER 110 N -3.28 0.00 0.07 6.66 2.88 -1.26 -1.31 113.62 117.39 2jmr n SER 110 Ca 0.07 -0.36 -0.06 0.00 -1.33 0.00 0.00 58.87 57.19 2jmr n SER 110 Cb 0.57 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 2jmr n SER 110 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2jmr h SER 111 N 0.00 0.00 0.32 -3.46 0.87 -2.00 -3.41 113.55 105.87 2jmr h SER 111 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jmr h SER 111 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jmr h SER 111 CO 0.00 0.94 -0.16 0.00 -0.53 0.00 0.00 176.83 177.08 2jmr n ALA 112 N -2.34 2.86 -2.41 6.23 0.00 -0.42 -4.78 120.51 119.65 2jmr n ALA 112 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 2jmr n ALA 112 Cb 0.92 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 2jmr n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jmr s LEU 113 N -2.48 1.26 0.21 0.00 -0.00 -1.26 -4.94 118.68 111.46 2jmr s LEU 113 Ca 0.27 -1.14 -0.22 0.00 -0.00 0.00 0.00 54.13 53.04 2jmr s LEU 113 Cb 0.20 0.69 0.05 0.00 -0.00 0.00 0.00 46.19 47.13 2jmr s LEU 113 CO 0.49 -0.84 0.68 -0.94 -0.00 0.00 0.00 176.35 175.74 2jmr s SER 114 N -3.05 -0.41 0.33 1.48 1.04 -1.26 -4.93 113.70 106.90 2jmr s SER 114 Ca 0.26 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.45 2jmr s SER 114 Cb 0.05 0.64 -0.07 0.00 0.10 0.00 0.00 66.02 66.75 2jmr s SER 114 CO 0.05 -1.12 0.05 0.86 0.98 0.00 0.00 173.24 174.06 2jmr s TRP 115 N -3.78 2.03 0.69 5.02 -0.11 -1.26 -4.99 118.94 116.55 2jmr s TRP 115 Ca 0.06 -0.92 -0.06 0.00 1.22 0.00 0.00 56.10 56.40 2jmr s TRP 115 Cb -0.03 -1.34 0.06 0.00 -1.50 0.00 0.00 33.47 30.65 2jmr s TRP 115 CO -0.03 0.06 1.00 -0.08 -4.62 0.00 0.00 176.95 173.28 2jmr s THR 116 N -3.23 2.34 -0.60 5.86 -1.32 -1.26 -4.94 115.64 112.50 2jmr s THR 116 Ca 0.36 -0.28 -0.26 0.00 -1.21 0.00 0.00 61.69 60.30 2jmr s THR 116 Cb 0.09 -3.02 -0.06 0.00 -1.51 0.00 0.00 72.50 68.00 2jmr s THR 116 CO 0.16 -0.02 2.20 -0.89 -2.21 0.00 0.00 174.62 173.87 2jmr s THR 117 N -3.22 3.15 0.20 5.08 2.01 -1.26 -4.51 115.64 117.09 2jmr s THR 117 Ca 0.60 0.04 -0.32 0.00 0.31 0.00 0.00 61.69 62.32 2jmr s THR 117 Cb -0.11 -3.38 -0.12 0.00 0.01 0.00 0.00 72.50 68.91 2jmr s THR 117 CO 0.44 -0.36 1.75 0.18 -0.69 0.00 0.00 174.62 175.94 2jmr n LEU 118 N 15.14 4.04 -4.80 4.42 4.32 -0.65 -4.98 117.00 134.48 2jmr n LEU 118 Ca 0.33 1.05 -0.35 0.00 -0.02 0.00 0.00 56.01 57.02 2jmr n LEU 118 Cb 0.52 -1.58 -0.06 0.00 -1.62 0.00 0.00 43.42 40.68 2jmr n LEU 118 CO 0.68 0.20 0.66 -0.89 -1.22 0.00 0.00 177.39 176.82 2jmr s THR 119 N 1.44 4.24 0.33 -5.08 2.01 -1.26 -4.77 115.64 112.55 2jmr s THR 119 Ca 0.76 1.64 -0.29 0.00 0.31 0.00 0.00 61.69 64.12 2jmr s THR 119 Cb -0.50 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 2jmr s THR 119 CO 0.33 -0.06 1.35 -2.16 -0.69 0.00 0.00 174.62 173.39 2jmr s PRO 120 N -2.56 4.31 -1.35 4.92 0.04 -1.26 -4.13 135.00 134.96 2jmr s PRO 120 Ca 0.56 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.78 2jmr s PRO 120 Cb -0.15 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2jmr s PRO 120 CO 0.20 -0.26 0.45 0.41 0.04 0.00 0.00 177.00 177.83 2jmr n GLY 121 N 0.84 -0.46 3.35 0.56 0.00 -0.36 -4.80 105.19 104.32 2jmr n GLY 121 Ca 0.01 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 2jmr n GLY 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jmr s LYS 122 N -6.78 1.30 0.07 1.61 2.47 -1.26 -4.63 119.74 112.52 2jmr s LYS 122 Ca 0.18 -1.43 0.27 0.00 -1.56 0.00 0.00 55.97 53.43 2jmr s LYS 122 Cb -0.08 0.35 1.06 0.00 -1.46 0.00 0.00 37.83 37.70 2jmr s LYS 122 CO 0.92 -0.48 1.84 -0.35 0.16 0.00 0.00 175.35 177.45 2jmr n PRO 123 N -0.29 0.08 -1.89 4.03 -0.04 -1.26 -4.45 135.00 131.18 2jmr n PRO 123 Ca -0.01 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 2jmr n PRO 123 Cb 0.64 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2jmr n PRO 123 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jmr n ASN 124 N -1.75 -2.95 -4.60 3.54 3.02 -1.25 -1.71 115.26 109.56 2jmr n ASN 124 Ca 0.06 0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.43 2jmr n ASN 124 Cb 0.35 -2.70 -0.03 0.00 -0.61 0.00 0.00 39.78 36.80 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jmr s THR 125 N -2.17 3.35 -0.23 3.41 2.01 -1.26 -4.62 115.64 116.12 2jmr s THR 125 Ca 0.00 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 2jmr s THR 125 Cb 0.00 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 69.06 2jmr s THR 125 CO 0.00 -0.28 1.06 -0.22 -0.69 0.00 0.00 174.62 174.48 2jmr s LEU 126 N 7.13 4.09 0.05 4.42 0.20 -1.25 -5.00 118.68 128.32 2jmr s LEU 126 Ca 0.85 1.37 -0.32 0.00 0.69 0.00 0.00 54.13 56.72 2jmr s LEU 126 Cb -0.26 -3.54 -0.11 0.00 -0.43 0.00 0.00 46.19 41.85 2jmr s LEU 126 CO 0.34 -0.69 1.84 0.59 -0.29 0.00 0.00 176.35 178.14 2jmr n ASN 127 N 6.39 3.77 -3.93 3.68 3.02 -1.26 -4.28 115.26 122.65 2jmr n ASN 127 Ca 0.12 0.98 -0.15 0.00 -0.03 0.00 0.00 54.58 55.50 2jmr n ASN 127 Cb 0.46 -1.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.06 2jmr n ASN 127 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jmr s PHE 128 N 3.19 1.41 0.05 3.10 0.40 -0.37 -0.91 117.98 124.85 2jmr s PHE 128 Ca 0.86 -1.45 -0.07 0.00 -0.60 0.00 0.00 56.93 55.66 2jmr s PHE 128 Cb -0.56 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 2jmr s PHE 128 CO 0.42 -0.68 0.15 0.71 0.70 0.00 0.00 175.22 176.52 2jmr s TYR 129 N -3.86 0.15 0.02 0.36 2.02 0.07 -1.65 117.35 114.47 2jmr s TYR 129 Ca 0.39 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2jmr s TYR 129 Cb 0.05 -0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.50 2jmr s TYR 129 CO 0.17 -0.43 -0.06 0.00 -1.57 0.00 0.00 175.55 173.66 2jmr s ALA 130 N -2.97 0.44 0.10 3.71 0.00 -0.80 -0.55 121.76 121.70 2jmr s ALA 130 Ca -0.02 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 2jmr s ALA 130 Cb 0.01 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.22 2jmr s ALA 130 CO -0.06 0.00 1.11 0.50 0.00 0.00 0.00 175.76 177.31 2jmr s ARG 131 N -1.04 0.95 0.44 0.00 6.06 -0.97 -0.70 118.95 123.69 2jmr s ARG 131 Ca -0.07 -0.57 -0.21 0.00 -2.50 0.00 0.00 55.73 52.38 2jmr s ARG 131 Cb -0.07 0.29 -0.10 0.00 0.06 0.00 0.00 34.95 35.13 2jmr s ARG 131 CO 0.00 -0.44 0.97 -0.51 -2.50 0.00 0.00 175.30 172.82 2jmr s LEU 132 N -3.23 3.94 -0.12 -0.88 1.43 -1.26 -2.14 118.68 116.42 2jmr s LEU 132 Ca 0.18 1.76 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 2jmr s LEU 132 Cb -0.00 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.72 2jmr s LEU 132 CO 0.02 -0.45 -0.17 -0.32 0.23 0.00 0.00 176.35 175.65 2jmr s MET 133 N -3.12 2.50 -0.39 1.70 -2.45 0.14 -3.60 119.30 114.08 2jmr s MET 133 Ca 0.63 -0.66 -0.28 0.00 -1.25 0.00 0.00 55.69 54.13 2jmr s MET 133 Cb -0.12 -2.09 -0.03 0.00 1.25 0.00 0.00 34.83 33.84 2jmr s MET 133 CO 0.16 -0.06 1.94 0.00 1.05 0.00 0.00 175.02 178.10 2jmr s ALA 134 N 0.98 2.57 -0.31 4.11 0.00 -1.22 -0.75 121.76 127.13 2jmr s ALA 134 Ca -0.06 0.13 0.23 0.00 0.00 0.00 0.00 51.96 52.26 2jmr s ALA 134 Cb -0.15 -4.12 -0.06 0.00 0.00 0.00 0.00 23.12 18.79 2jmr s ALA 134 CO -0.03 -3.12 0.91 0.25 0.00 0.00 0.00 175.76 173.78 2jmr n THR 135 N 7.49 0.33 -3.95 0.00 -2.24 0.10 -4.38 114.28 111.63 2jmr n THR 135 Ca 0.25 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2jmr n THR 135 Cb 0.48 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2jmr n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n GLN 136 N -2.34 0.02 -2.58 -0.78 1.13 -0.46 -4.80 117.38 107.57 2jmr n GLN 136 Ca -0.00 -0.16 -0.26 0.00 -1.94 0.00 0.00 57.00 54.64 2jmr n GLN 136 Cb 0.52 0.13 -0.01 0.00 0.11 0.00 0.00 30.24 30.99 2jmr n GLN 136 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2jmr n VAL 137 N -0.03 2.37 0.42 5.09 0.24 -1.26 -4.70 118.33 120.46 2jmr n VAL 137 Ca 0.00 -4.92 0.12 0.00 -2.04 0.00 0.00 64.34 57.50 2jmr n VAL 137 Cb 0.03 -1.15 0.15 0.00 -1.47 0.00 0.00 33.84 31.39 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jmr h PRO 138 N 2.68 0.00 -6.49 7.34 0.13 -1.84 -3.47 132.00 130.36 2jmr h PRO 138 Ca 0.24 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.92 2jmr h PRO 138 Cb 0.87 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.74 2jmr h PRO 138 CO 0.82 0.00 -0.65 1.33 -0.23 0.00 0.00 178.00 179.27 2jmr n VAL 139 N -2.38 -0.14 -2.84 1.56 0.24 -1.26 -4.91 118.33 108.59 2jmr n VAL 139 Ca 0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 2jmr n VAL 139 Cb 0.48 -0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -2.91 4.51 1.31 3.34 2.01 -1.26 -4.77 115.64 117.86 2jmr s THR 140 Ca 0.59 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 63.14 2jmr s THR 140 Cb -0.34 -4.41 0.31 0.00 0.01 0.00 0.00 72.50 68.08 2jmr s THR 140 CO 0.72 -0.79 0.81 0.00 -0.69 0.00 0.00 174.62 174.67 2jmr n ALA 141 N 7.06 -3.96 0.00 7.40 0.00 -1.26 -3.93 120.51 125.83 2jmr n ALA 141 Ca 0.06 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.94 2jmr n ALA 141 Cb 0.48 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2jmr n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmr n GLY 142 N 1.64 0.23 3.93 0.00 0.00 -1.26 -4.20 105.19 105.53 2jmr n GLY 142 Ca 0.07 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 2jmr n GLY 142 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jmr s HIS 143 N -1.73 3.27 -0.19 1.61 0.00 -1.21 -0.16 115.29 116.87 2jmr s HIS 143 Ca 0.00 0.48 -0.01 0.00 -3.00 0.00 0.00 55.06 52.53 2jmr s HIS 143 Cb 0.00 -2.51 0.01 0.00 -4.00 0.00 0.00 32.58 26.07 2jmr s HIS 143 CO 0.00 -0.57 -0.14 0.42 -1.00 0.00 0.00 174.74 173.45 2jmr s ILE 144 N -2.78 2.57 -0.17 -5.38 -1.09 -0.47 -2.95 121.20 110.93 2jmr s ILE 144 Ca 0.51 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 58.04 2jmr s ILE 144 Cb -0.10 -2.12 0.05 0.00 -1.58 0.00 0.00 42.46 38.71 2jmr s ILE 144 CO 0.42 0.50 0.42 0.20 -1.23 0.00 0.00 174.94 175.25 2jmr s ASN 145 N 1.34 -0.50 0.36 3.58 0.01 -1.25 -1.46 114.94 117.02 2jmr s ASN 145 Ca 0.05 0.89 0.02 0.00 -0.71 0.00 0.00 52.86 53.11 2jmr s ASN 145 Cb -0.14 0.83 -0.01 0.00 0.41 0.00 0.00 41.25 42.35 2jmr s ASN 145 CO -0.09 -0.18 0.43 0.00 -1.51 0.00 0.00 177.10 175.76 2jmr s ALA 146 N 0.91 1.21 -0.28 0.60 0.00 -1.25 -0.51 121.76 122.43 2jmr s ALA 146 Ca -0.05 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 49.96 2jmr s ALA 146 Cb -0.06 1.26 0.08 0.00 0.00 0.00 0.00 23.12 24.40 2jmr s ALA 146 CO -0.07 -0.76 0.71 -0.08 0.00 0.00 0.00 175.76 175.56 2jmr s THR 147 N -3.03 0.00 0.31 0.00 -1.32 -1.26 -4.35 115.64 105.99 2jmr s THR 147 Ca 0.34 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.71 2jmr s THR 147 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 2jmr s THR 147 CO 0.24 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 173.26 2jmr n ALA 148 N 3.77 -1.34 -2.34 11.08 0.00 -1.20 -4.16 120.51 126.32 2jmr n ALA 148 Ca -0.18 -1.01 -0.18 0.00 0.00 0.00 0.00 53.44 52.07 2jmr n ALA 148 Cb 0.58 0.81 -0.10 0.00 0.00 0.00 0.00 19.45 20.73 2jmr n ALA 148 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 149 N -2.32 1.52 -0.49 0.00 -4.23 -0.39 -0.56 115.64 109.17 2jmr s THR 149 Ca 0.13 -2.14 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 2jmr s THR 149 Cb -0.04 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 71.93 2jmr s THR 149 CO 0.10 -0.54 0.59 2.22 -0.54 0.00 0.00 174.62 176.44 2jmr n PHE 150 N -0.38 1.17 -2.55 3.99 -1.74 -1.07 -1.28 117.46 115.59 2jmr n PHE 150 Ca -0.08 -3.79 -0.42 0.00 -0.56 0.00 0.00 57.45 52.61 2jmr n PHE 150 Cb 0.61 -0.39 -0.02 0.00 1.52 0.00 0.00 39.48 41.20 2jmr n PHE 150 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2jmr s THR 151 N -1.56 3.95 -0.81 1.97 -4.23 -0.10 -4.76 115.64 110.09 2jmr s THR 151 Ca 0.36 0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 61.43 2jmr s THR 151 Cb 0.14 -4.72 0.05 0.00 1.34 0.00 0.00 72.50 69.31 2jmr s THR 151 CO -0.08 -1.40 1.27 -0.76 -0.54 0.00 0.00 174.62 173.11 2jmr s LEU 152 N 5.20 3.55 -0.34 4.79 1.43 -1.26 -1.36 118.68 130.68 2jmr s LEU 152 Ca 0.43 -0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 2jmr s LEU 152 Cb -0.08 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2jmr s LEU 152 CO 0.24 -1.64 0.92 -0.70 0.23 0.00 0.00 176.35 175.39 2jmr s GLU 153 N 5.10 3.91 0.87 1.70 2.56 -0.02 -4.30 118.70 128.53 2jmr s GLU 153 Ca 0.36 0.67 -0.13 0.00 0.00 0.00 0.00 54.97 55.87 2jmr s GLU 153 Cb -0.07 -3.77 0.12 0.00 2.00 0.00 0.00 34.13 32.41 2jmr s GLU 153 CO 0.06 -0.87 1.18 0.71 -0.56 0.00 0.00 175.26 175.78 2jmr s TYR 154 N 3.37 2.60 0.95 5.30 2.02 -1.26 -0.66 117.35 129.67 2jmr s TYR 154 Ca 0.38 0.73 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 2jmr s TYR 154 Cb -0.13 -3.53 0.16 0.00 -0.40 0.00 0.00 41.96 38.07 2jmr s TYR 154 CO 0.16 -2.12 1.09 1.14 -1.57 0.00 0.00 175.55 174.25 2jmr s GLN 155 N -5.51 0.81 0.93 -0.62 -2.07 -1.26 -4.76 119.66 107.19 2jmr s GLN 155 Ca 0.64 0.82 -0.11 0.00 -1.82 0.00 0.00 55.36 54.89 2jmr s GLN 155 Cb -0.11 -1.76 0.15 0.00 -1.09 0.00 0.00 33.01 30.20 2jmr s GLN 155 CO 0.51 -2.55 1.09 0.34 -1.32 0.00 0.00 175.29 173.36 2jmr s ASP 156 N -3.26 3.01 0.00 12.60 2.15 -1.26 -4.34 116.67 125.57 2jmr s ASP 156 Ca 0.65 1.69 0.00 0.00 0.43 0.00 0.00 52.55 55.32 2jmr s ASP 156 Cb -0.19 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2jmr s ASP 156 CO 0.58 -2.96 0.00 0.59 -0.17 0.00 0.00 175.17 173.21 2jmr n ASN 157 N -4.11 0.00 -0.03 -0.34 5.03 -1.23 -4.86 115.26 109.72 2jmr n ASN 157 Ca 0.08 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.59 2jmr n ASN 157 Cb 0.54 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.23 2jmr n ASN 157 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2jmr n HIS 158 N -0.49 0.00 0.00 3.10 8.25 -1.26 -4.91 115.22 119.91 2jmr n HIS 158 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jmr n HIS 158 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jmr n HIS 158 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jmr n HIS 159 N -1.21 -0.32 -4.12 4.41 -0.00 -1.26 -5.13 115.22 107.58 2jmr n HIS 159 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.66 2jmr n HIS 159 Cb 0.22 0.06 -0.10 0.00 -0.00 0.00 0.00 29.99 30.17 2jmr n HIS 159 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jmr s HIS 160 N -1.40 0.75 0.52 1.57 5.65 -1.26 -5.05 115.29 116.08 2jmr s HIS 160 Ca 0.00 -1.17 -0.09 0.00 0.25 0.00 0.00 55.06 54.05 2jmr s HIS 160 Cb 0.00 -0.44 0.13 0.00 -1.18 0.00 0.00 32.58 31.09 2jmr s HIS 160 CO 0.00 -0.49 0.35 0.72 -0.65 0.00 0.00 174.74 174.67 2jmr n HIS 161 N -0.04 -2.87 -0.98 3.88 -0.00 -1.26 -3.53 115.22 110.41 2jmr n HIS 161 Ca -0.08 -0.33 -0.37 0.00 -0.00 0.00 0.00 57.72 56.95 2jmr n HIS 161 Cb 0.63 -0.45 0.03 0.00 -0.00 0.00 0.00 29.99 30.20 2jmr n HIS 161 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jmr n HIS 162 N -3.86 -3.33 -0.65 4.41 -0.00 -1.26 -4.85 115.22 105.68 2jmr n HIS 162 Ca 0.05 0.29 -0.31 0.00 0.46 0.00 0.00 57.72 58.21 2jmr n HIS 162 Cb 0.22 -1.38 0.18 0.00 -0.12 0.00 0.00 29.99 28.90 2jmr n HIS 162 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jmr n HIS 163 N -2.91 -1.04 -1.62 1.57 -0.00 -1.26 -4.90 115.22 105.05 2jmr n HIS 163 Ca -0.02 0.12 -0.46 0.00 0.46 0.00 0.00 57.72 57.82 2jmr n HIS 163 Cb 0.64 -1.72 -0.03 0.00 -0.12 0.00 0.00 29.99 28.76 2jmr n HIS 163 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2jmr n LYS 164 N -3.10 1.59 -2.05 1.57 3.00 -1.26 -4.85 118.16 113.06 2jmr n LYS 164 Ca 0.04 0.56 -0.32 0.00 -0.00 0.00 0.00 58.31 58.60 2jmr n LYS 164 Cb 0.56 -2.10 -0.04 0.00 0.00 0.00 0.00 35.03 33.45 2jmr n LYS 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2jmr s GLN 165 N -0.73 2.59 0.00 1.64 -0.44 -1.26 -4.73 119.66 116.73 2jmr s GLN 165 Ca 0.67 0.09 0.00 0.00 -2.50 0.00 0.00 55.36 53.62 2jmr s GLN 165 Cb -0.73 -4.77 0.00 0.00 -1.64 0.00 0.00 33.01 25.87 2jmr s GLN 165 CO 0.53 -3.09 0.00 0.00 0.50 0.00 0.00 175.29 173.23 2jmr n ALA 166 N 13.41 0.00 -2.35 1.58 0.00 -1.26 -3.93 120.51 127.96 2jmr n ALA 166 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 2jmr n ALA 166 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 2jmr n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmr n ASP 167 N 0.00 -2.17 -4.32 0.00 2.03 -1.26 -5.02 116.55 105.80 2jmr n ASP 167 Ca 0.00 -0.05 -0.57 0.00 0.52 0.00 0.00 54.79 54.70 2jmr n ASP 167 Cb 0.00 -0.86 -0.10 0.00 -0.72 0.00 0.00 41.12 39.44 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jmr n SER 168 N 0.00 1.24 -4.77 1.67 3.41 -1.25 -4.83 113.62 109.08 2jmr n SER 168 Ca -0.01 0.59 -0.40 0.00 -0.26 0.00 0.00 58.87 58.79 2jmr n SER 168 Cb 0.51 -1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 2jmr n SER 168 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jmr s THR 169 N 6.42 2.84 -0.12 6.66 -4.23 -1.24 -2.61 115.64 123.36 2jmr s THR 169 Ca 1.16 0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 62.48 2jmr s THR 169 Cb -1.28 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 69.02 2jmr s THR 169 CO 0.60 0.18 -0.07 -0.51 -0.54 0.00 0.00 174.62 174.28 2jmr s ILE 170 N -1.18 3.60 -0.22 2.99 -1.16 0.28 -4.30 121.20 121.22 2jmr s ILE 170 Ca 0.50 -0.48 -0.04 0.00 -0.51 0.00 0.00 60.65 60.12 2jmr s ILE 170 Cb -0.38 -2.53 0.09 0.00 0.61 0.00 0.00 42.46 40.26 2jmr s ILE 170 CO 0.50 0.54 0.19 -0.89 -2.81 0.00 0.00 174.94 172.46 2jmr s THR 171 N -0.04 -0.24 -0.21 4.00 2.01 -1.26 -3.23 115.64 116.67 2jmr s THR 171 Ca -0.00 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 2jmr s THR 171 Cb -0.13 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2jmr s THR 171 CO 0.03 -0.34 0.02 -0.63 -0.69 0.00 0.00 174.62 173.01 2jmr s ILE 172 N 2.25 4.09 -0.26 1.82 1.01 -1.26 -1.15 121.20 127.70 2jmr s ILE 172 Ca 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 2jmr s ILE 172 Cb -0.16 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.46 2jmr s ILE 172 CO -0.18 0.41 0.01 -0.13 0.00 0.00 0.00 174.94 175.05 2jmr s ARG 173 N 1.05 3.11 0.32 2.79 1.81 -0.35 -3.75 118.95 123.94 2jmr s ARG 173 Ca 0.03 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.29 2jmr s ARG 173 Cb -0.14 -3.16 -0.03 0.00 -0.45 0.00 0.00 34.95 31.16 2jmr s ARG 173 CO 0.02 -0.36 0.27 0.20 -0.68 0.00 0.00 175.30 174.75 2jmr s GLY 174 N 1.45 2.30 -0.07 -3.53 0.00 -0.53 -1.36 107.32 105.57 2jmr s GLY 174 Ca 0.03 -2.06 -0.10 0.00 0.00 0.00 0.00 44.72 42.59 2jmr s GLY 174 CO -0.01 -1.47 0.24 -0.47 0.00 0.00 0.00 173.10 171.40 2jmr s TYR 175 N -3.47 -0.21 -0.38 1.90 5.04 -1.26 -1.37 117.35 117.59 2jmr s TYR 175 Ca 0.41 0.48 -0.15 0.00 -2.44 0.00 0.00 57.07 55.37 2jmr s TYR 175 Cb 0.03 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.41 2jmr s TYR 175 CO 0.27 -0.20 0.32 0.08 -1.34 0.00 0.00 175.55 174.68 2jmr s VAL 176 N -0.36 5.22 -0.04 3.14 1.01 0.77 -0.91 120.40 129.22 2jmr s VAL 176 Ca -0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2jmr s VAL 176 Cb -0.03 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2jmr s VAL 176 CO 0.01 -0.22 1.03 -0.13 0.00 0.00 0.00 175.10 175.79 2jmr s ARG 177 N 1.83 4.47 -0.09 2.72 1.81 0.00 -4.12 118.95 125.57 2jmr s ARG 177 Ca 0.08 1.47 0.02 0.00 -1.72 0.00 0.00 55.73 55.57 2jmr s ARG 177 Cb -0.18 -3.49 0.17 0.00 -0.45 0.00 0.00 34.95 31.00 2jmr s ARG 177 CO 0.11 -0.21 1.06 -3.47 -0.68 0.00 0.00 175.30 172.11 2jmr n ASP 178 N 4.46 2.80 0.00 0.23 2.03 -1.26 -0.18 116.55 124.62 2jmr n ASP 178 Ca 0.08 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 53.07 2jmr n ASP 178 Cb 0.49 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2jmr n ASP 178 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08