#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 1.48 0.00 3.04 0.00 -1.26 -4.95 120.51 118.83 2jmr n ALA 2 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jmr n ALA 2 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2jmr n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmr n ASP 3 N -0.89 0.17 -3.81 0.00 2.03 -1.26 -5.11 116.55 107.68 2jmr n ASP 3 Ca 0.10 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 2jmr n ASP 3 Cb 0.44 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.79 2jmr n ASP 3 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jmr s SER 4 N -4.58 -0.16 -0.36 1.67 1.04 -1.26 -5.14 113.70 104.91 2jmr s SER 4 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2jmr s SER 4 Cb 0.00 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.74 2jmr s SER 4 CO 0.00 -0.99 0.11 -0.89 0.98 0.00 0.00 173.24 172.45 2jmr s THR 5 N -3.90 2.82 -0.08 2.02 2.01 -1.26 -5.04 115.64 112.21 2jmr s THR 5 Ca 0.11 -2.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.02 2jmr s THR 5 Cb 0.01 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.63 2jmr s THR 5 CO -0.03 -0.55 0.17 -0.51 -0.69 0.00 0.00 174.62 173.02 2jmr s ILE 6 N 1.06 -0.15 -0.85 1.82 1.10 -1.26 -5.08 121.20 117.84 2jmr s ILE 6 Ca 0.07 0.25 -0.25 0.00 -0.51 0.00 0.00 60.65 60.20 2jmr s ILE 6 Cb -0.21 -0.29 -0.03 0.00 0.15 0.00 0.00 42.46 42.07 2jmr s ILE 6 CO -0.05 0.10 1.88 -0.89 -2.11 0.00 0.00 174.94 173.87 2jmr s THR 7 N 1.67 3.46 -0.00 4.00 2.01 -1.26 -4.94 115.64 120.58 2jmr s THR 7 Ca -0.04 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 2jmr s THR 7 Cb -0.12 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 2jmr s THR 7 CO -0.06 -1.02 1.69 -0.63 -0.69 0.00 0.00 174.62 173.91 2jmr s ILE 8 N 9.46 3.35 -1.15 1.82 1.09 -1.26 -4.91 121.20 129.60 2jmr s ILE 8 Ca 0.67 0.55 0.17 0.00 -1.10 0.00 0.00 60.65 60.94 2jmr s ILE 8 Cb -0.07 -3.36 0.20 0.00 -1.06 0.00 0.00 42.46 38.17 2jmr s ILE 8 CO 0.03 -0.03 1.53 -1.14 -0.10 0.00 0.00 174.94 175.23 2jmr n ARG 9 N 6.71 0.09 0.00 2.79 0.00 -1.26 -4.83 116.66 120.16 2jmr n ARG 9 Ca 0.17 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 2jmr n ARG 9 Cb 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2jmr n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jmr n GLY 10 N 0.21 0.53 0.31 5.14 0.00 -1.26 -4.99 105.19 105.13 2jmr n GLY 10 Ca 0.06 -0.72 0.20 0.00 0.00 0.00 0.00 46.02 45.56 2jmr n GLY 10 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jmr h TYR 11 N 0.00 0.00 0.00 1.61 5.03 -1.97 -3.48 116.97 118.16 2jmr h TYR 11 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2jmr h TYR 11 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 2jmr h TYR 11 CO 0.00 0.01 0.22 1.55 -1.32 0.00 0.00 178.16 178.63 2jmr n VAL 12 N -3.16 0.00 -3.31 1.81 3.14 -1.26 -1.00 118.33 114.55 2jmr n VAL 12 Ca -0.02 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.15 2jmr n VAL 12 Cb 0.17 -0.08 -0.01 0.00 -1.06 0.00 0.00 33.84 32.86 2jmr n VAL 12 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2jmr n ARG 13 N 1.23 -2.90 -0.08 1.45 -4.01 -1.26 -4.39 116.66 106.71 2jmr n ARG 13 Ca 0.09 0.37 0.07 0.00 -1.04 0.00 0.00 57.85 57.34 2jmr n ARG 13 Cb -0.00 -5.02 0.12 0.00 -3.04 0.00 0.00 32.46 24.51 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2jmr n ASP 14 N -2.15 0.05 -1.02 2.89 5.75 -0.17 -1.78 116.55 120.12 2jmr n ASP 14 Ca -0.01 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2jmr n ASP 14 Cb 0.53 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 -3.71 1.11 -0.25 -1.12 5.03 -1.26 -2.87 115.26 112.19 2jmr n ASN 15 Ca 0.08 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.79 2jmr n ASN 15 Cb 0.28 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 2jmr n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jmr n GLY 16 N 0.85 0.81 3.34 7.41 0.00 -0.73 -4.95 105.19 111.92 2jmr n GLY 16 Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s SER 18 N -2.16 6.96 0.62 0.00 0.01 -0.51 -4.95 113.70 113.67 2jmr s SER 18 Ca 0.12 1.41 -0.17 0.00 1.31 0.00 0.00 55.95 58.61 2jmr s SER 18 Cb -0.09 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2jmr s SER 18 CO 0.06 -0.09 1.17 0.54 0.41 0.00 0.00 173.24 175.33 2jmr s VAL 19 N -1.74 2.84 0.75 3.43 0.11 -1.26 -2.15 120.40 122.38 2jmr s VAL 19 Ca 0.49 0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 59.89 2jmr s VAL 19 Cb -0.14 -3.09 0.04 0.00 -1.53 0.00 0.00 36.38 31.67 2jmr s VAL 19 CO 0.19 -0.17 1.08 0.00 -3.33 0.00 0.00 175.10 172.88 2jmr s ALA 20 N -1.89 2.45 -2.00 1.54 0.00 -0.04 -4.66 121.76 117.15 2jmr s ALA 20 Ca 0.73 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2jmr s ALA 20 Cb -0.26 -3.13 0.30 0.00 0.00 0.00 0.00 23.12 20.03 2jmr s ALA 20 CO 0.36 -1.50 0.76 0.00 0.00 0.00 0.00 175.76 175.38 2jmr n ALA 21 N -3.29 1.69 0.33 0.00 0.00 -1.26 -1.15 120.51 116.83 2jmr n ALA 21 Ca 0.07 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2jmr n ALA 21 Cb 0.55 -1.08 0.16 0.00 0.00 0.00 0.00 19.45 19.08 2jmr n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jmr n GLU 22 N -0.98 2.16 -1.39 0.00 0.28 -1.26 -4.52 120.64 114.93 2jmr n GLU 22 Ca 0.04 -2.00 -0.00 0.00 -0.16 0.00 0.00 57.16 55.03 2jmr n GLU 22 Cb 0.02 -1.41 -0.01 0.00 1.43 0.00 0.00 31.44 31.46 2jmr n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2jmr n SER 23 N 1.17 0.21 -0.07 -1.84 3.41 -0.30 -4.72 113.62 111.49 2jmr n SER 23 Ca 0.15 -2.01 -0.09 0.00 -0.26 0.00 0.00 58.87 56.67 2jmr n SER 23 Cb 0.52 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2jmr n SER 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jmr n THR 24 N 0.23 0.89 -3.44 6.66 -1.04 -1.08 -4.80 114.28 111.71 2jmr n THR 24 Ca -0.07 -0.43 -0.18 0.00 -2.04 0.00 0.00 64.05 61.33 2jmr n THR 24 Cb 0.96 -0.89 -0.11 0.00 -1.82 0.00 0.00 70.33 68.47 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 -5.12 1.67 -0.15 8.00 -0.87 -1.26 -1.81 114.94 115.41 2jmr s ASN 25 Ca -0.15 -0.58 -0.09 0.00 -1.57 0.00 0.00 52.86 50.47 2jmr s ASN 25 Cb 0.05 0.43 0.05 0.00 -0.02 0.00 0.00 41.25 41.76 2jmr s ASN 25 CO 0.43 -0.37 0.35 0.72 -2.57 0.00 0.00 177.10 175.67 2jmr s PHE 26 N 2.34 -0.49 0.29 2.20 -0.71 -1.26 -4.79 117.98 115.56 2jmr s PHE 26 Ca 0.09 1.09 -0.28 0.00 -1.04 0.00 0.00 56.93 56.79 2jmr s PHE 26 Cb -0.15 0.18 -0.10 0.00 -1.21 0.00 0.00 43.02 41.75 2jmr s PHE 26 CO -0.26 -0.29 0.95 0.99 -1.34 0.00 0.00 175.22 175.27 2jmr s THR 27 N 1.18 4.13 -0.31 -4.49 2.01 -1.26 -3.86 115.64 113.03 2jmr s THR 27 Ca -0.08 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.83 2jmr s THR 27 Cb -0.08 -4.12 0.09 0.00 0.01 0.00 0.00 72.50 68.41 2jmr s THR 27 CO -0.10 0.27 0.05 -0.69 -0.69 0.00 0.00 174.62 173.47 2jmr s VAL 28 N -1.45 1.58 0.32 3.82 1.01 0.01 -5.00 120.40 120.71 2jmr s VAL 28 Ca 0.47 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.42 2jmr s VAL 28 Cb -0.22 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.94 2jmr s VAL 28 CO 0.27 -0.54 0.95 -0.62 0.00 0.00 0.00 175.10 175.16 2jmr s ASP 29 N 1.27 7.33 -0.14 3.32 2.15 -1.26 -1.05 116.67 128.29 2jmr s ASP 29 Ca 0.08 1.85 0.03 0.00 0.43 0.00 0.00 52.55 54.93 2jmr s ASP 29 Cb -0.18 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 39.75 2jmr s ASP 29 CO -0.15 -0.08 -0.10 0.18 -0.17 0.00 0.00 175.17 174.86 2jmr n LEU 30 N 0.56 2.41 0.00 -1.34 4.77 -1.25 -4.90 117.00 117.24 2jmr n LEU 30 Ca 0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2jmr n LEU 30 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2jmr n LEU 30 CO 0.44 0.66 0.00 1.15 -1.33 0.00 0.00 177.39 178.32 2jmr n MET 31 N -2.84 0.00 -3.00 3.23 0.00 -1.26 -5.02 117.12 108.23 2jmr n MET 31 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.10 2jmr n MET 31 Cb 0.80 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.96 2jmr n MET 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2jmr s GLU 32 N -2.08 4.25 0.31 3.17 2.12 -1.26 -4.16 118.70 121.05 2jmr s GLU 32 Ca 0.00 0.95 0.07 0.00 0.36 0.00 0.00 54.97 56.35 2jmr s GLU 32 Cb 0.00 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 2jmr s GLU 32 CO 0.00 0.24 0.26 -0.80 -0.54 0.00 0.00 175.26 174.42 2jmr s ASN 33 N -1.89 5.32 0.09 -1.70 -0.87 0.70 -4.85 114.94 111.74 2jmr s ASN 33 Ca 0.50 -0.44 0.04 0.00 -1.57 0.00 0.00 52.86 51.39 2jmr s ASN 33 Cb -0.14 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.25 39.97 2jmr s ASN 33 CO 0.19 -0.26 0.04 0.00 -2.57 0.00 0.00 177.10 174.50 2jmr s ALA 34 N -2.26 3.41 0.30 0.60 0.00 -1.26 -1.57 121.76 120.98 2jmr s ALA 34 Ca 0.38 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2jmr s ALA 34 Cb -0.06 -1.29 0.63 0.00 0.00 0.00 0.00 23.12 22.40 2jmr s ALA 34 CO 0.26 0.70 1.84 0.00 0.00 0.00 0.00 175.76 178.56 2jmr h ALA 35 N 3.28 1.61 0.00 0.00 0.00 -0.57 -3.35 119.26 120.23 2jmr h ALA 35 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jmr h ALA 35 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jmr h ALA 35 CO 0.62 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.64 2jmr n LYS 36 N -4.61 0.68 0.00 0.00 5.02 -1.26 -2.61 118.16 115.38 2jmr n LYS 36 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2jmr n LYS 36 Cb 0.39 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 2jmr n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmr n GLN 37 N -0.75 3.18 -3.68 1.97 10.64 -1.26 -4.95 117.38 122.53 2jmr n GLN 37 Ca 0.08 -0.21 -0.39 0.00 -1.83 0.00 0.00 57.00 54.65 2jmr n GLN 37 Cb 0.04 -0.69 -0.12 0.00 -0.86 0.00 0.00 30.24 28.61 2jmr n GLN 37 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2jmr s PHE 38 N -0.51 3.24 -0.09 2.61 0.40 -1.07 -4.89 117.98 117.67 2jmr s PHE 38 Ca 0.00 -1.14 0.08 0.00 -0.60 0.00 0.00 56.93 55.26 2jmr s PHE 38 Cb 0.00 -2.35 0.17 0.00 0.51 0.00 0.00 43.02 41.35 2jmr s PHE 38 CO 0.00 -0.67 1.15 0.27 0.70 0.00 0.00 175.22 176.67 2jmr n ASN 39 N 4.91 -0.71 0.00 1.36 6.94 -1.26 -4.73 115.26 121.77 2jmr n ASN 39 Ca -0.12 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 2jmr n ASN 39 Cb 0.46 0.27 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmr n ASN 40 N -0.31 0.00 0.19 0.53 0.23 -1.26 -4.98 115.26 109.66 2jmr n ASN 40 Ca -0.19 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 53.92 2jmr n ASN 40 Cb 0.81 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.83 2jmr n ASN 40 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2jmr h ILE 41 N 1.00 0.79 0.00 1.53 5.03 -1.87 -2.61 117.51 121.37 2jmr h ILE 41 Ca 0.00 -1.51 0.00 0.00 -0.12 0.00 0.00 64.86 63.23 2jmr h ILE 41 Cb 0.00 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 2jmr h ILE 41 CO 0.00 0.34 0.00 0.61 -0.68 0.00 0.00 178.15 178.42 2jmr n GLY 42 N 0.35 -0.83 3.56 5.37 0.00 -1.26 -4.40 105.19 107.97 2jmr n GLY 42 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.30 1.97 -0.18 4.61 0.00 -0.99 -4.96 121.76 119.91 2jmr s ALA 43 Ca 0.26 -1.23 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 2jmr s ALA 43 Cb 0.14 -4.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.78 2jmr s ALA 43 CO 0.29 -4.32 0.08 0.99 0.00 0.00 0.00 175.76 172.79 2jmr s THR 44 N 9.16 4.96 0.88 0.00 2.01 -1.26 -3.52 115.64 127.85 2jmr s THR 44 Ca 0.66 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.56 2jmr s THR 44 Cb -0.08 -3.23 0.12 0.00 0.01 0.00 0.00 72.50 69.31 2jmr s THR 44 CO 0.07 0.47 1.11 0.42 -0.69 0.00 0.00 174.62 176.00 2jmr s THR 45 N 0.28 2.45 -0.25 -0.82 -4.23 -1.26 -4.99 115.64 106.82 2jmr s THR 45 Ca 0.05 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.42 2jmr s THR 45 Cb -0.12 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 2jmr s THR 45 CO -0.00 -0.19 1.87 -2.16 -0.54 0.00 0.00 174.62 173.60 2jmr s PRO 46 N -5.18 3.45 0.84 3.99 0.04 -1.26 -4.97 135.00 131.90 2jmr s PRO 46 Ca 0.63 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 2jmr s PRO 46 Cb -0.15 -4.20 0.10 0.00 0.04 0.00 0.00 34.50 30.29 2jmr s PRO 46 CO 0.54 -1.73 1.17 0.54 0.04 0.00 0.00 177.00 177.57 2jmr s VAL 47 N 6.68 2.19 -0.00 -0.36 0.11 -1.26 -4.96 120.40 122.80 2jmr s VAL 47 Ca 0.84 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 60.02 2jmr s VAL 47 Cb -0.27 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.23 2jmr s VAL 47 CO 0.34 -0.07 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.15 2jmr s VAL 48 N -2.41 1.52 0.45 2.04 1.01 -0.55 -4.99 120.40 117.47 2jmr s VAL 48 Ca 0.69 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 2jmr s VAL 48 Cb -0.25 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2jmr s VAL 48 CO 0.53 0.36 1.13 -2.16 0.00 0.00 0.00 175.10 174.96 2jmr s PRO 49 N -0.63 3.85 0.13 2.72 0.04 -1.26 -1.21 135.00 138.63 2jmr s PRO 49 Ca 0.07 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2jmr s PRO 49 Cb -0.08 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 2jmr s PRO 49 CO -0.00 -0.46 0.24 0.12 0.04 0.00 0.00 177.00 176.94 2jmr s PHE 50 N -1.61 0.32 0.04 0.56 5.36 0.17 -4.80 117.98 118.02 2jmr s PHE 50 Ca 0.63 -0.71 -0.27 0.00 -0.96 0.00 0.00 56.93 55.62 2jmr s PHE 50 Cb -0.26 -0.07 0.09 0.00 -0.34 0.00 0.00 43.02 42.44 2jmr s PHE 50 CO 0.32 -0.65 0.79 -0.98 -1.46 0.00 0.00 175.22 173.24 2jmr s ARG 51 N -3.93 0.97 0.19 10.12 1.04 -1.26 -1.07 118.95 125.00 2jmr s ARG 51 Ca 0.13 -0.31 -0.11 0.00 -1.04 0.00 0.00 55.73 54.40 2jmr s ARG 51 Cb 0.04 0.45 -0.07 0.00 -2.04 0.00 0.00 34.95 33.33 2jmr s ARG 51 CO -0.04 -0.42 0.53 0.42 -0.04 0.00 0.00 175.30 175.75 2jmr s ILE 52 N -3.13 4.93 -0.30 4.99 -1.09 -1.26 -5.03 121.20 120.31 2jmr s ILE 52 Ca 0.02 0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.01 2jmr s ILE 52 Cb -0.01 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2jmr s ILE 52 CO -0.09 0.07 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.46 2jmr s LEU 53 N -2.45 3.88 -0.55 2.97 0.20 -1.26 -4.16 118.68 117.31 2jmr s LEU 53 Ca 0.43 -1.32 -0.15 0.00 0.69 0.00 0.00 54.13 53.77 2jmr s LEU 53 Cb -0.13 -1.69 0.13 0.00 -0.43 0.00 0.00 46.19 44.08 2jmr s LEU 53 CO 0.20 -0.26 0.50 -0.76 -0.29 0.00 0.00 176.35 175.75 2jmr s LEU 54 N 1.22 6.18 0.01 -0.68 2.01 -0.22 -0.86 118.68 126.35 2jmr s LEU 54 Ca -0.05 -1.86 -0.06 0.00 0.01 0.00 0.00 54.13 52.17 2jmr s LEU 54 Cb -0.20 -2.19 -0.00 0.00 0.01 0.00 0.00 46.19 43.81 2jmr s LEU 54 CO -0.02 -0.83 0.12 -0.94 1.01 0.00 0.00 176.35 175.69 2jmr s SER 55 N 3.43 0.08 0.04 2.29 1.04 -0.91 -3.61 113.70 116.06 2jmr s SER 55 Ca 0.04 -0.31 -0.31 0.00 0.48 0.00 0.00 55.95 55.85 2jmr s SER 55 Cb -0.28 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 65.98 2jmr s SER 55 CO 0.02 -0.40 1.28 -2.16 0.98 0.00 0.00 173.24 172.95 2jmr s PRO 56 N -1.71 4.37 0.58 4.02 0.04 -1.25 -3.37 135.00 137.67 2jmr s PRO 56 Ca -0.12 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 2jmr s PRO 56 Cb -0.06 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 2jmr s PRO 56 CO -0.00 -0.39 1.01 0.00 0.04 0.00 0.00 177.00 177.66 2jmr n GLY 58 N -2.24 0.95 0.03 0.00 0.00 -0.65 -4.27 105.19 99.01 2jmr n GLY 58 Ca 0.06 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.63 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 0.40 -2.04 1.61 0.23 -1.25 -1.44 115.26 112.77 2jmr n ASN 59 Ca 0.00 -0.70 -0.22 0.00 -0.53 0.00 0.00 54.58 53.13 2jmr n ASN 59 Cb 0.00 0.79 0.05 0.00 -2.08 0.00 0.00 39.78 38.53 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr n ALA 60 N -0.80 5.51 -2.93 -2.53 0.00 -1.14 -4.82 120.51 113.80 2jmr n ALA 60 Ca 0.01 -2.22 -0.11 0.00 0.00 0.00 0.00 53.44 51.13 2jmr n ALA 60 Cb 0.06 -1.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 2jmr n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmr s VAL 61 N -3.02 0.23 0.00 0.00 0.11 -1.26 -4.40 120.40 112.06 2jmr s VAL 61 Ca 0.41 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2jmr s VAL 61 Cb 0.32 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.83 2jmr s VAL 61 CO -0.02 -0.41 0.00 -1.20 -3.33 0.00 0.00 175.10 170.14 2jmr n SER 62 N 1.71 0.00 -3.97 3.54 7.64 -1.26 -4.77 113.62 116.51 2jmr n SER 62 Ca -0.22 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.56 2jmr n SER 62 Cb 0.55 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.00 -0.12 0.28 -0.43 0.00 -1.26 -0.87 121.76 117.36 2jmr s ALA 63 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2jmr s ALA 63 Cb 0.00 1.09 -0.06 0.00 0.00 0.00 0.00 23.12 24.15 2jmr s ALA 63 CO 0.00 -0.84 0.06 0.14 0.00 0.00 0.00 175.76 175.12 2jmr s VAL 64 N -3.96 0.92 -0.14 0.00 -7.23 -1.26 -2.09 120.40 106.63 2jmr s VAL 64 Ca 0.24 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2jmr s VAL 64 Cb -0.00 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2jmr s VAL 64 CO 0.10 -0.06 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.24 2jmr s LYS 65 N -3.94 3.53 0.52 4.82 -0.14 -0.47 -4.47 119.74 119.59 2jmr s LYS 65 Ca 0.36 -0.53 -0.17 0.00 -1.36 0.00 0.00 55.97 54.26 2jmr s LYS 65 Cb 0.08 -2.85 -0.08 0.00 -1.68 0.00 0.00 37.83 33.30 2jmr s LYS 65 CO 0.14 0.30 0.99 0.08 -0.76 0.00 0.00 175.35 176.09 2jmr s VAL 66 N 0.20 4.50 -0.03 3.17 1.01 -1.26 -0.54 120.40 127.45 2jmr s VAL 66 Ca -0.03 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.17 2jmr s VAL 66 Cb -0.14 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2jmr s VAL 66 CO 0.03 -0.68 -0.01 -0.83 0.00 0.00 0.00 175.10 173.62 2jmr s GLY 67 N -3.05 0.25 -0.19 4.51 0.00 -0.86 -4.83 107.32 103.15 2jmr s GLY 67 Ca 0.59 0.13 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 2jmr s GLY 67 CO 0.31 0.54 -0.04 -1.36 0.00 0.00 0.00 173.10 172.55 2jmr s PHE 68 N 0.94 1.77 -0.01 1.90 0.40 -1.26 -1.56 117.98 120.16 2jmr s PHE 68 Ca -0.10 -1.23 0.00 0.00 -0.60 0.00 0.00 56.93 55.01 2jmr s PHE 68 Cb -0.13 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.08 2jmr s PHE 68 CO -0.01 -0.66 0.00 0.95 0.70 0.00 0.00 175.22 176.20 2jmr s THR 69 N 1.61 0.10 0.00 0.64 -4.23 -1.13 -2.33 115.64 110.29 2jmr s THR 69 Ca -0.01 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2jmr s THR 69 Cb -0.17 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2jmr s THR 69 CO -0.07 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2jmr n GLY 70 N 3.68 1.76 3.67 3.99 0.00 -1.26 -1.21 105.19 115.81 2jmr n GLY 70 Ca -0.21 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2jmr n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmr s VAL 71 N -2.73 4.01 0.14 1.61 1.01 -1.26 -4.85 120.40 118.34 2jmr s VAL 71 Ca 0.00 1.30 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 2jmr s VAL 71 Cb 0.00 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2jmr s VAL 71 CO 0.00 -0.06 0.61 0.00 0.00 0.00 0.00 175.10 175.65 2jmr s ALA 72 N 3.04 3.53 0.59 5.51 0.00 -1.26 -0.20 121.76 132.97 2jmr s ALA 72 Ca 0.60 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 2jmr s ALA 72 Cb -0.27 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2jmr s ALA 72 CO 0.22 0.39 1.16 0.34 0.00 0.00 0.00 175.76 177.86 2jmr s ASP 73 N -1.46 5.36 0.12 0.00 -1.08 -0.67 -4.69 116.67 114.24 2jmr s ASP 73 Ca 0.36 2.22 -0.17 0.00 -0.52 0.00 0.00 52.55 54.44 2jmr s ASP 73 Cb -0.17 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.67 2jmr s ASP 73 CO 0.20 -1.47 1.66 -1.28 0.52 0.00 0.00 175.17 174.80 2jmr h SER 74 N 0.81 0.45 0.84 -0.34 0.87 -1.96 -3.11 113.55 111.13 2jmr h SER 74 Ca -0.49 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 59.86 2jmr h SER 74 Cb 1.27 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2jmr h SER 74 CO 0.55 0.50 -0.41 0.45 -0.53 0.00 0.00 176.83 177.39 2jmr h HIS 75 N 0.39 -1.05 -2.69 2.24 3.86 -1.94 -3.39 115.15 112.57 2jmr h HIS 75 Ca 0.11 -0.02 -0.59 0.00 -1.16 0.00 0.00 60.37 58.70 2jmr h HIS 75 Cb 0.18 0.35 -0.39 0.00 1.06 0.00 0.00 27.41 28.61 2jmr h HIS 75 CO -0.00 -0.65 -0.83 -0.80 0.86 0.00 0.00 177.93 176.51 2jmr s ASN 76 N -4.23 2.98 0.07 2.45 -0.87 -1.26 -5.00 114.94 109.08 2jmr s ASN 76 Ca -0.18 -2.53 0.08 0.00 -1.57 0.00 0.00 52.86 48.66 2jmr s ASN 76 Cb 0.02 -0.64 0.36 0.00 -0.02 0.00 0.00 41.25 40.97 2jmr s ASN 76 CO 0.56 -0.26 1.23 0.00 -2.57 0.00 0.00 177.10 176.06 2jmr n ALA 77 N 3.61 1.16 0.32 0.60 0.00 -1.17 -0.63 120.51 124.40 2jmr n ALA 77 Ca 0.14 0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.76 2jmr n ALA 77 Cb 0.38 -1.12 0.65 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 -3.63 0.00 4.21 -1.91 -3.40 115.58 110.86 2jmr h ASN 78 Ca 0.00 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.83 2jmr h ASN 78 Cb 0.06 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 37.09 2jmr h ASN 78 CO 0.00 0.00 -0.70 -0.76 -1.29 0.00 0.00 177.43 174.68 2jmr s LEU 79 N -5.38 3.18 -0.31 1.61 2.01 0.19 -4.24 118.68 115.73 2jmr s LEU 79 Ca 0.02 -0.09 -0.24 0.00 0.01 0.00 0.00 54.13 53.83 2jmr s LEU 79 Cb 0.09 -1.77 0.00 0.00 0.01 0.00 0.00 46.19 44.52 2jmr s LEU 79 CO 0.45 0.31 0.81 -0.22 1.01 0.00 0.00 176.35 178.71 2jmr s LEU 80 N -1.18 4.08 0.62 1.79 0.20 -0.69 -1.68 118.68 121.82 2jmr s LEU 80 Ca 0.15 0.66 -0.16 0.00 0.69 0.00 0.00 54.13 55.47 2jmr s LEU 80 Cb -0.11 -3.11 -0.02 0.00 -0.43 0.00 0.00 46.19 42.52 2jmr s LEU 80 CO 0.05 -0.65 1.11 0.00 -0.29 0.00 0.00 176.35 176.58 2jmr s ALA 81 N 3.02 2.55 1.01 5.97 0.00 0.72 -0.12 121.76 134.91 2jmr s ALA 81 Ca 0.33 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2jmr s ALA 81 Cb -0.14 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.69 2jmr s ALA 81 CO 0.13 -1.10 0.18 1.28 0.00 0.00 0.00 175.76 176.25 2jmr n LEU 82 N -2.05 0.00 0.00 0.00 4.32 -1.26 -4.62 117.00 113.38 2jmr n LEU 82 Ca 0.11 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2jmr n LEU 82 Cb 0.52 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2jmr n LEU 82 CO 0.46 -0.75 0.48 -1.84 -1.22 0.00 0.00 177.39 174.51 2jmr n GLU 83 N -1.52 0.00 -3.55 3.23 0.28 -0.11 -4.87 120.64 114.10 2jmr n GLU 83 Ca 0.02 0.45 -0.26 0.00 -0.16 0.00 0.00 57.16 57.21 2jmr n GLU 83 Cb 0.08 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.50 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 -1.45 -5.78 -4.08 -1.84 5.15 -1.26 -5.00 115.26 101.00 2jmr n ASN 84 Ca 0.00 -0.89 -0.15 0.00 -0.60 0.00 0.00 54.58 52.93 2jmr n ASN 84 Cb 0.00 -3.86 -0.12 0.00 -0.53 0.00 0.00 39.78 35.27 2jmr n ASN 84 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2jmr s THR 85 N -3.40 0.70 0.30 -0.44 2.01 -1.26 -5.03 115.64 108.51 2jmr s THR 85 Ca 0.43 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2jmr s THR 85 Cb -0.13 -0.71 0.29 0.00 0.01 0.00 0.00 72.50 71.96 2jmr s THR 85 CO 0.83 -0.24 1.77 -0.37 -0.69 0.00 0.00 174.62 175.92 2jmr h VAL 86 N 4.53 0.70 0.00 3.82 -1.51 -1.95 0.75 116.25 122.59 2jmr h VAL 86 Ca -0.36 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2jmr h VAL 86 Cb 1.20 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 2jmr h VAL 86 CO 0.42 0.14 -0.15 0.28 -1.23 0.00 0.00 177.57 177.03 2jmr h SER 87 N 0.74 0.00 -4.24 4.19 0.02 -1.97 -3.44 113.55 108.85 2jmr h SER 87 Ca 0.57 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.99 2jmr h SER 87 Cb 0.88 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.55 2jmr h SER 87 CO -0.39 0.01 0.34 0.00 -1.14 0.00 0.00 176.83 175.66 2jmr s ALA 88 N -3.19 2.22 1.10 3.77 0.00 0.26 -1.16 121.76 124.77 2jmr s ALA 88 Ca 0.07 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 2jmr s ALA 88 Cb 0.08 -3.35 0.24 0.00 0.00 0.00 0.00 23.12 20.09 2jmr s ALA 88 CO 0.66 -1.70 1.10 0.00 0.00 0.00 0.00 175.76 175.82 2jmr s ALA 89 N -2.47 0.73 0.22 0.00 0.00 -0.83 -4.55 121.76 114.85 2jmr s ALA 89 Ca 0.67 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.05 2jmr s ALA 89 Cb -0.21 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2jmr s ALA 89 CO 0.48 -3.23 -0.12 -1.12 0.00 0.00 0.00 175.76 171.77 2jmr s SER 90 N -3.65 2.51 -1.76 0.00 0.01 -1.26 -4.80 113.70 104.75 2jmr s SER 90 Ca 0.68 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2jmr s SER 90 Cb -0.15 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2jmr s SER 90 CO 0.57 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2jmr n GLY 91 N -0.41 0.80 2.24 3.44 0.00 -1.26 -4.69 105.19 105.31 2jmr n GLY 91 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2jmr n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmr n LEU 92 N -2.50 0.05 -4.72 0.99 4.77 -1.26 -0.29 117.00 114.03 2jmr n LEU 92 Ca -0.19 -4.64 -0.31 0.00 -0.03 0.00 0.00 56.01 50.83 2jmr n LEU 92 Cb 0.62 0.68 0.12 0.00 -2.33 0.00 0.00 43.42 42.52 2jmr n LEU 92 CO 0.26 2.12 0.70 -0.83 -1.33 0.00 0.00 177.39 178.31 2jmr s GLY 93 N -1.51 1.78 0.28 -0.72 0.00 -0.75 -4.64 107.32 101.76 2jmr s GLY 93 Ca 0.36 0.50 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 2jmr s GLY 93 CO -0.11 0.89 1.26 -0.42 0.00 0.00 0.00 173.10 174.71 2jmr s ILE 94 N -2.66 3.04 -0.16 0.90 -1.09 0.83 -0.43 121.20 121.64 2jmr s ILE 94 Ca 0.66 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 60.03 2jmr s ILE 94 Cb -0.21 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2jmr s ILE 94 CO 0.55 0.21 -0.03 -1.58 -1.23 0.00 0.00 174.94 172.86 2jmr s GLN 95 N -1.24 3.67 -0.02 2.79 0.74 0.04 -1.71 119.66 123.93 2jmr s GLN 95 Ca 0.50 -0.52 0.03 0.00 0.05 0.00 0.00 55.36 55.43 2jmr s GLN 95 Cb -0.37 -2.93 -0.01 0.00 1.10 0.00 0.00 33.01 30.80 2jmr s GLN 95 CO 0.46 0.22 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.80 2jmr s LEU 96 N 0.41 1.95 0.06 3.68 1.43 -1.26 -0.52 118.68 124.42 2jmr s LEU 96 Ca -0.04 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 2jmr s LEU 96 Cb -0.14 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.48 2jmr s LEU 96 CO 0.03 0.12 0.31 -0.76 0.23 0.00 0.00 176.35 176.28 2jmr s LEU 97 N -0.12 0.86 0.00 1.79 1.43 -0.14 -3.45 118.68 119.05 2jmr s LEU 97 Ca 0.02 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2jmr s LEU 97 Cb -0.06 1.40 0.11 0.00 0.03 0.00 0.00 46.19 47.67 2jmr s LEU 97 CO -0.00 -0.66 0.79 -3.20 0.23 0.00 0.00 176.35 173.51 2jmr n ASN 98 N 0.40 1.20 -0.30 2.29 5.15 -1.25 -1.32 115.26 121.43 2jmr n ASN 98 Ca -0.18 -1.98 0.13 0.00 -0.60 0.00 0.00 54.58 51.96 2jmr n ASN 98 Cb 0.60 -0.50 0.30 0.00 -0.53 0.00 0.00 39.78 39.65 2jmr n ASN 98 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2jmr h GLU 99 N 0.00 0.20 0.00 1.20 4.81 -1.67 0.36 114.58 119.48 2jmr h GLU 99 Ca -0.26 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2jmr h GLU 99 Cb 1.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2jmr h GLU 99 CO 0.29 0.13 0.00 1.04 -0.73 0.00 0.00 179.01 179.74 2jmr n GLN 100 N -5.23 0.28 -2.70 1.92 6.02 -1.26 -4.85 117.38 111.55 2jmr n GLN 100 Ca 0.22 0.11 -0.21 0.00 -0.01 0.00 0.00 57.00 57.11 2jmr n GLN 100 Cb 0.70 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.22 -3.19 -2.80 -1.09 6.02 0.13 -4.96 117.38 110.27 2jmr n GLN 101 Ca 0.08 0.94 -0.34 0.00 -0.01 0.00 0.00 57.00 57.67 2jmr n GLN 101 Cb 0.10 -5.69 -0.07 0.00 1.02 0.00 0.00 30.24 25.61 2jmr n GLN 101 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jmr s ASN 102 N -2.36 6.99 -0.65 1.08 6.03 -1.26 -4.89 114.94 119.87 2jmr s ASN 102 Ca 0.15 1.73 -0.26 0.00 -1.03 0.00 0.00 52.86 53.44 2jmr s ASN 102 Cb -0.07 -2.55 -0.06 0.00 -3.03 0.00 0.00 41.25 35.55 2jmr s ASN 102 CO 0.18 -0.33 2.13 -1.58 -2.03 0.00 0.00 177.10 175.48 2jmr s GLN 103 N -2.98 2.29 0.17 3.55 0.74 -1.26 -3.82 119.66 118.34 2jmr s GLN 103 Ca 0.60 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 56.38 2jmr s GLN 103 Cb -0.11 -4.63 -0.09 0.00 1.10 0.00 0.00 33.01 29.28 2jmr s GLN 103 CO 0.15 -3.29 1.34 0.42 -0.55 0.00 0.00 175.29 173.37 2jmr s ILE 104 N 11.13 3.21 1.06 -2.34 1.01 -1.22 -5.04 121.20 129.01 2jmr s ILE 104 Ca 0.81 0.95 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 2jmr s ILE 104 Cb -0.13 -3.61 0.24 0.00 0.01 0.00 0.00 42.46 38.97 2jmr s ILE 104 CO 0.16 0.12 1.25 -2.16 0.00 0.00 0.00 174.94 174.31 2jmr s PRO 105 N 0.30 -0.10 0.08 2.79 0.04 -1.26 -4.84 135.00 132.02 2jmr s PRO 105 Ca 0.60 -0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.40 2jmr s PRO 105 Cb -0.37 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2jmr s PRO 105 CO 0.36 -2.92 -0.17 -1.17 0.04 0.00 0.00 177.00 173.13 2jmr s LEU 106 N -6.29 2.29 -1.39 -3.56 2.96 -1.26 -4.80 118.68 106.62 2jmr s LEU 106 Ca 0.73 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2jmr s LEU 106 Cb -0.06 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 45.99 2jmr s LEU 106 CO 0.54 -0.02 0.65 0.59 -1.32 0.00 0.00 176.35 176.79 2jmr n ASN 107 N 1.21 -1.49 -4.69 3.68 5.03 -0.99 -4.91 115.26 113.09 2jmr n ASN 107 Ca -0.21 -0.89 -0.26 0.00 0.87 0.00 0.00 54.58 54.10 2jmr n ASN 107 Cb 0.54 -3.63 -0.09 0.00 -1.02 0.00 0.00 39.78 35.58 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jmr s ALA 108 N -3.70 3.42 0.64 5.41 0.00 -1.26 -5.14 121.76 121.13 2jmr s ALA 108 Ca 0.14 -2.17 -0.10 0.00 0.00 0.00 0.00 51.96 49.82 2jmr s ALA 108 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 2jmr s ALA 108 CO 0.85 -0.13 1.03 -1.25 0.00 0.00 0.00 175.76 176.25 2jmr s PRO 109 N -3.83 3.23 0.45 0.00 0.04 -1.26 -4.98 135.00 128.65 2jmr s PRO 109 Ca 0.39 0.52 0.31 0.00 0.04 0.00 0.00 61.00 62.25 2jmr s PRO 109 Cb 0.06 -2.10 1.37 0.00 0.04 0.00 0.00 34.50 33.87 2jmr s PRO 109 CO 0.21 -0.74 1.91 0.66 0.04 0.00 0.00 177.00 179.08 2jmr h SER 110 N -0.40 0.00 0.42 6.66 4.64 -1.92 -3.02 113.55 119.94 2jmr h SER 110 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2jmr h SER 110 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jmr h SER 110 CO 0.63 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 177.32 2jmr h SER 111 N 0.00 0.00 0.34 4.97 4.64 -1.98 -2.28 113.55 119.24 2jmr h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jmr h SER 111 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2jmr h SER 111 CO 0.00 0.04 -0.04 0.00 -0.87 0.00 0.00 176.83 175.96 2jmr n ALA 112 N -2.15 2.63 -2.45 5.18 0.00 -1.14 -4.89 120.51 117.69 2jmr n ALA 112 Ca -0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 2jmr n ALA 112 Cb 0.19 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.38 1.00 0.00 0.00 0.05 -0.86 -4.85 118.68 111.64 2jmr s LEU 113 Ca 0.34 -1.24 0.04 0.00 0.05 0.00 0.00 54.13 53.32 2jmr s LEU 113 Cb 0.21 0.74 -0.01 0.00 -2.05 0.00 0.00 46.19 45.07 2jmr s LEU 113 CO 0.44 -0.90 0.13 -0.24 -0.55 0.00 0.00 176.35 175.23 2jmr n SER 114 N -0.28 0.14 -3.20 1.48 2.88 -1.26 -4.94 113.62 108.44 2jmr n SER 114 Ca -0.00 -2.22 -0.15 0.00 -1.33 0.00 0.00 58.87 55.16 2jmr n SER 114 Cb 0.65 0.81 -0.04 0.00 -0.75 0.00 0.00 64.21 64.87 2jmr n SER 114 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2jmr s TRP 115 N -2.63 1.15 0.50 0.66 -0.11 -1.26 -4.72 118.94 112.53 2jmr s TRP 115 Ca 0.18 -1.35 0.04 0.00 1.22 0.00 0.00 56.10 56.20 2jmr s TRP 115 Cb 0.01 -0.14 0.03 0.00 -1.50 0.00 0.00 33.47 31.87 2jmr s TRP 115 CO 0.13 -1.13 0.70 -0.08 -4.62 0.00 0.00 176.95 171.95 2jmr s THR 116 N -3.02 2.76 -0.63 5.86 -1.32 -1.26 -4.95 115.64 113.09 2jmr s THR 116 Ca 0.31 -0.82 -0.27 0.00 -1.21 0.00 0.00 61.69 59.71 2jmr s THR 116 Cb -0.00 -2.95 -0.00 0.00 -1.51 0.00 0.00 72.50 68.04 2jmr s THR 116 CO 0.22 0.00 1.64 -0.89 -2.21 0.00 0.00 174.62 173.37 2jmr s THR 117 N -2.60 3.52 -0.45 5.08 2.01 -1.26 -4.52 115.64 117.42 2jmr s THR 117 Ca 0.57 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.64 2jmr s THR 117 Cb -0.10 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 68.07 2jmr s THR 117 CO 0.36 -1.19 2.39 0.18 -0.69 0.00 0.00 174.62 175.67 2jmr n LEU 118 N 11.29 2.45 -4.71 4.42 7.99 -0.05 -4.94 117.00 133.45 2jmr n LEU 118 Ca 0.15 -0.36 -0.42 0.00 -0.01 0.00 0.00 56.01 55.36 2jmr n LEU 118 Cb 0.51 -1.57 -0.03 0.00 -0.11 0.00 0.00 43.42 42.22 2jmr n LEU 118 CO 0.71 -1.39 1.23 -0.89 -1.51 0.00 0.00 177.39 175.54 2jmr s THR 119 N 11.43 2.84 0.42 -5.08 2.01 -1.26 -4.66 115.64 121.35 2jmr s THR 119 Ca 1.00 0.53 -0.25 0.00 0.31 0.00 0.00 61.69 63.28 2jmr s THR 119 Cb -0.23 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 2jmr s THR 119 CO 0.28 0.03 1.23 -2.16 -0.69 0.00 0.00 174.62 173.31 2jmr s PRO 120 N 1.57 3.92 -1.44 4.92 0.04 -1.26 -3.69 135.00 139.06 2jmr s PRO 120 Ca 0.70 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 63.62 2jmr s PRO 120 Cb -0.42 -2.64 0.05 0.00 0.04 0.00 0.00 34.50 31.54 2jmr s PRO 120 CO 0.31 -0.47 0.95 0.41 0.04 0.00 0.00 177.00 178.25 2jmr n GLY 121 N 0.63 -0.45 3.13 0.56 0.00 -0.52 -4.98 105.19 103.56 2jmr n GLY 121 Ca 0.05 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2jmr n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s LYS 122 N -6.38 0.80 0.00 1.61 1.02 -1.24 -4.91 119.74 110.64 2jmr s LYS 122 Ca 0.47 -1.34 0.15 0.00 0.02 0.00 0.00 55.97 55.28 2jmr s LYS 122 Cb -0.23 0.23 0.90 0.00 -0.52 0.00 0.00 37.83 38.22 2jmr s LYS 122 CO 0.81 -0.20 1.55 -0.35 -0.92 0.00 0.00 175.35 176.24 2jmr n PRO 123 N -0.01 0.96 -3.85 -1.68 -0.04 -1.26 -4.48 135.00 124.64 2jmr n PRO 123 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 2jmr n PRO 123 Cb 0.63 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.75 -1.40 -4.61 3.54 3.02 -1.24 -1.05 115.26 112.78 2jmr n ASN 124 Ca 0.11 -0.45 -0.43 0.00 -0.03 0.00 0.00 54.58 53.79 2jmr n ASN 124 Cb 0.05 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 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 -4.47 4.17 0.71 3.41 2.01 -1.26 -4.06 115.64 116.15 2jmr s THR 125 Ca 0.17 1.22 -0.05 0.00 0.31 0.00 0.00 61.69 63.34 2jmr s THR 125 Cb -0.09 -4.48 0.09 0.00 0.01 0.00 0.00 72.50 68.02 2jmr s THR 125 CO 0.33 -0.88 1.00 -0.76 -0.69 0.00 0.00 174.62 173.63 2jmr s LEU 126 N 4.57 2.92 -0.51 4.42 1.02 -1.26 -5.06 118.68 124.78 2jmr s LEU 126 Ca 0.51 0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.81 2jmr s LEU 126 Cb -0.09 -2.72 0.13 0.00 0.02 0.00 0.00 46.19 43.53 2jmr s LEU 126 CO 0.30 -1.71 0.31 0.20 0.02 0.00 0.00 176.35 175.47 2jmr s ASN 127 N -4.59 5.14 0.49 2.29 0.01 -1.26 -4.56 114.94 112.46 2jmr s ASN 127 Ca 0.63 -2.50 0.02 0.00 -0.71 0.00 0.00 52.86 50.29 2jmr s ASN 127 Cb -0.09 -1.81 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 2jmr s ASN 127 CO 0.44 -0.43 0.00 -0.36 -1.51 0.00 0.00 177.10 175.25 2jmr s PHE 128 N 0.45 1.96 0.04 2.20 0.08 -0.24 -1.67 117.98 120.81 2jmr s PHE 128 Ca 0.13 -0.92 -0.07 0.00 0.12 0.00 0.00 56.93 56.19 2jmr s PHE 128 Cb -0.22 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2jmr s PHE 128 CO -0.04 0.26 0.14 0.71 -0.10 0.00 0.00 175.22 176.19 2jmr s TYR 129 N -2.86 0.13 0.12 0.36 2.02 -0.44 -0.66 117.35 116.03 2jmr s TYR 129 Ca 0.10 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 2jmr s TYR 129 Cb 0.03 -0.09 -0.00 0.00 -0.40 0.00 0.00 41.96 41.50 2jmr s TYR 129 CO 0.05 -0.40 0.24 0.00 -1.57 0.00 0.00 175.55 173.87 2jmr s ALA 130 N -2.60 -0.18 0.00 3.71 0.00 -0.35 -0.96 121.76 121.37 2jmr s ALA 130 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2jmr s ALA 130 Cb -0.01 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2jmr s ALA 130 CO -0.04 -0.57 0.00 -2.13 0.00 0.00 0.00 175.76 173.02 2jmr n ARG 131 N -0.13 0.00 -4.48 0.00 3.00 0.32 -1.48 116.66 113.89 2jmr n ARG 131 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.40 2jmr n ARG 131 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.98 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 3.16 0.01 6.15 2.96 -1.26 -0.78 118.68 128.92 2jmr s LEU 132 Ca 0.00 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2jmr s LEU 132 Cb 0.00 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 2jmr s LEU 132 CO 0.00 0.29 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.96 2jmr s MET 133 N -1.34 0.35 0.67 1.98 -2.45 0.43 -4.24 119.30 114.71 2jmr s MET 133 Ca 0.16 -0.36 -0.15 0.00 -1.25 0.00 0.00 55.69 54.09 2jmr s MET 133 Cb -0.11 -0.23 0.01 0.00 1.25 0.00 0.00 34.83 35.75 2jmr s MET 133 CO 0.07 0.05 1.14 0.00 1.05 0.00 0.00 175.02 177.33 2jmr s ALA 134 N -0.62 2.39 0.00 4.11 0.00 -1.23 -1.82 121.76 124.59 2jmr s ALA 134 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2jmr s ALA 134 Cb -0.05 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2jmr s ALA 134 CO -0.00 -1.41 0.00 0.25 0.00 0.00 0.00 175.76 174.60 2jmr n THR 135 N -2.40 0.00 -4.10 0.00 -2.24 0.60 -4.73 114.28 101.42 2jmr n THR 135 Ca 0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 2jmr n THR 135 Cb 0.51 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 2jmr n THR 135 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jmr s GLN 136 N -0.61 1.86 -0.72 -0.78 -1.52 -0.74 -4.81 119.66 112.34 2jmr s GLN 136 Ca 0.00 -1.74 0.01 0.00 -1.95 0.00 0.00 55.36 51.68 2jmr s GLN 136 Cb 0.00 0.43 0.36 0.00 -0.22 0.00 0.00 33.01 33.58 2jmr s GLN 136 CO 0.00 -0.76 1.53 0.28 -0.25 0.00 0.00 175.29 176.09 2jmr n VAL 137 N -0.55 3.71 0.16 1.09 0.31 -1.26 -4.70 118.33 117.08 2jmr n VAL 137 Ca 0.01 -5.08 0.04 0.00 -0.01 0.00 0.00 64.34 59.30 2jmr n VAL 137 Cb 0.62 -1.34 0.14 0.00 -0.91 0.00 0.00 33.84 32.34 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jmr h PRO 138 N 3.14 0.00 -5.78 5.55 0.13 -1.88 -3.47 132.00 129.69 2jmr h PRO 138 Ca 0.41 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 65.17 2jmr h PRO 138 Cb 0.42 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.42 2jmr h PRO 138 CO 1.11 0.47 -0.54 1.33 -0.23 0.00 0.00 178.00 180.13 2jmr n VAL 139 N -3.32 -0.60 -2.61 1.56 0.24 -1.26 -4.90 118.33 107.43 2jmr n VAL 139 Ca 0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.88 2jmr n VAL 139 Cb 0.66 -1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 31.80 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 -2.85 4.44 0.49 3.34 2.01 -1.26 -4.89 115.64 116.91 2jmr s THR 140 Ca 0.43 1.64 -0.20 0.00 0.31 0.00 0.00 61.69 63.87 2jmr s THR 140 Cb -0.24 -4.40 -0.11 0.00 0.01 0.00 0.00 72.50 67.76 2jmr s THR 140 CO 0.53 -0.52 0.49 0.00 -0.69 0.00 0.00 174.62 174.43 2jmr n ALA 141 N 7.04 -1.43 0.00 7.40 0.00 -1.26 -4.54 120.51 127.71 2jmr n ALA 141 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jmr n ALA 141 Cb 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.83 -0.57 3.24 0.00 0.00 -0.95 -4.71 105.19 104.04 2jmr n GLY 142 Ca 0.11 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.35 0.90 -0.17 1.61 -3.43 -0.31 -0.74 115.29 109.81 2jmr s HIS 143 Ca 0.00 -1.20 -0.06 0.00 -0.80 0.00 0.00 55.06 53.01 2jmr s HIS 143 Cb 0.00 -0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.71 2jmr s HIS 143 CO 0.00 -0.65 0.02 0.42 -2.00 0.00 0.00 174.74 172.53 2jmr s ILE 144 N -4.09 4.39 -0.18 -5.38 1.09 -0.54 -1.96 121.20 114.53 2jmr s ILE 144 Ca 0.30 -0.18 -0.11 0.00 -1.10 0.00 0.00 60.65 59.57 2jmr s ILE 144 Cb 0.06 -2.95 0.06 0.00 -1.06 0.00 0.00 42.46 38.56 2jmr s ILE 144 CO 0.07 0.48 0.44 0.20 -0.10 0.00 0.00 174.94 176.04 2jmr s ASN 145 N 0.31 -0.55 0.29 3.58 0.01 -1.25 -3.71 114.94 113.62 2jmr s ASN 145 Ca 0.00 0.95 -0.07 0.00 -0.71 0.00 0.00 52.86 53.03 2jmr s ASN 145 Cb -0.13 0.85 -0.00 0.00 0.41 0.00 0.00 41.25 42.38 2jmr s ASN 145 CO 0.01 -0.19 0.46 0.00 -1.51 0.00 0.00 177.10 175.87 2jmr s ALA 146 N 1.22 0.29 0.04 0.60 0.00 -1.16 -0.93 121.76 121.82 2jmr s ALA 146 Ca -0.08 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 2jmr s ALA 146 Cb -0.07 1.12 0.03 0.00 0.00 0.00 0.00 23.12 24.20 2jmr s ALA 146 CO -0.11 -0.81 0.36 -0.08 0.00 0.00 0.00 175.76 175.12 2jmr s THR 147 N -3.55 0.07 0.21 0.00 -1.32 -1.26 -3.55 115.64 106.24 2jmr s THR 147 Ca 0.27 -0.54 -0.16 0.00 -1.21 0.00 0.00 61.69 60.05 2jmr s THR 147 Cb 0.00 -0.91 0.06 0.00 -1.51 0.00 0.00 72.50 70.14 2jmr s THR 147 CO 0.14 -0.30 0.80 0.00 -2.21 0.00 0.00 174.62 173.05 2jmr n ALA 148 N 0.63 -2.00 -2.55 11.08 0.00 -1.24 -4.29 120.51 122.13 2jmr n ALA 148 Ca -0.19 -0.92 -0.23 0.00 0.00 0.00 0.00 53.44 52.10 2jmr n ALA 148 Cb 0.59 0.60 -0.15 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.18 1.24 -0.59 0.00 -4.23 -0.35 -0.75 115.64 108.78 2jmr s THR 149 Ca 0.17 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 2jmr s THR 149 Cb -0.03 -1.06 0.15 0.00 1.34 0.00 0.00 72.50 72.91 2jmr s THR 149 CO 0.06 0.27 0.43 0.72 -0.54 0.00 0.00 174.62 175.56 2jmr s PHE 150 N -0.50 3.49 -0.52 3.99 -0.12 -1.21 -2.85 117.98 120.28 2jmr s PHE 150 Ca 0.05 -2.37 -0.19 0.00 -0.05 0.00 0.00 56.93 54.38 2jmr s PHE 150 Cb -0.07 -3.37 0.07 0.00 -0.63 0.00 0.00 43.02 39.02 2jmr s PHE 150 CO -0.00 -0.92 0.61 0.95 -0.05 0.00 0.00 175.22 175.81 2jmr s THR 151 N 0.47 4.91 -0.49 -4.49 -4.23 -0.60 -4.62 115.64 106.59 2jmr s THR 151 Ca 0.13 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.72 2jmr s THR 151 Cb -0.20 -4.31 0.03 0.00 1.34 0.00 0.00 72.50 69.36 2jmr s THR 151 CO -0.04 -0.83 1.13 -0.76 -0.54 0.00 0.00 174.62 173.59 2jmr s LEU 152 N 2.53 3.63 -1.22 4.79 2.01 -1.26 -2.03 118.68 127.12 2jmr s LEU 152 Ca 0.13 0.40 -0.16 0.00 0.01 0.00 0.00 54.13 54.51 2jmr s LEU 152 Cb -0.21 -3.48 0.12 0.00 0.01 0.00 0.00 46.19 42.64 2jmr s LEU 152 CO 0.10 -1.27 1.54 -0.70 1.01 0.00 0.00 176.35 177.03 2jmr s GLU 153 N 4.48 4.01 -0.25 1.70 2.12 0.30 -4.75 118.70 126.31 2jmr s GLU 153 Ca 0.47 -2.25 -0.34 0.00 0.36 0.00 0.00 54.97 53.21 2jmr s GLU 153 Cb -0.07 -5.26 -0.11 0.00 0.26 0.00 0.00 34.13 28.95 2jmr s GLU 153 CO 0.31 -1.98 2.08 0.66 -0.54 0.00 0.00 175.26 175.79 2jmr n TYR 154 N 6.93 1.91 -2.03 5.30 4.01 -1.26 -1.36 117.16 130.66 2jmr n TYR 154 Ca 0.41 0.14 -0.41 0.00 -0.16 0.00 0.00 57.90 57.88 2jmr n TYR 154 Cb 0.45 -2.60 -0.02 0.00 -0.31 0.00 0.00 39.34 36.86 2jmr n TYR 154 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2jmr s GLN 155 N 5.47 4.29 -0.02 -0.72 -0.44 -0.89 -4.96 119.66 122.39 2jmr s GLN 155 Ca 1.02 2.31 -0.08 0.00 -2.50 0.00 0.00 55.36 56.11 2jmr s GLN 155 Cb -0.72 -3.05 0.01 0.00 -1.64 0.00 0.00 33.01 27.60 2jmr s GLN 155 CO 0.48 -0.30 0.18 0.16 0.50 0.00 0.00 175.29 176.31 2jmr s ASP 156 N -0.28 -0.08 0.00 6.67 -4.77 -1.26 -4.62 116.67 112.33 2jmr s ASP 156 Ca 0.51 0.02 0.19 0.00 -3.30 0.00 0.00 52.55 49.98 2jmr s ASP 156 Cb -0.42 0.28 1.14 0.00 -1.09 0.00 0.00 42.92 42.84 2jmr s ASP 156 CO 0.54 -0.29 1.59 -3.20 0.70 0.00 0.00 175.17 174.51 2jmr n ASN 157 N 1.90 0.00 -4.90 2.11 5.15 -1.26 -4.77 115.26 113.49 2jmr n ASN 157 Ca -0.19 -0.92 -0.21 0.00 -0.60 0.00 0.00 54.58 52.66 2jmr n ASN 157 Cb 0.57 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.80 2jmr n ASN 157 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2jmr s HIS 158 N -2.00 2.57 0.25 1.20 2.46 -1.26 -5.17 115.29 113.34 2jmr s HIS 158 Ca 0.29 -0.52 0.01 0.00 0.47 0.00 0.00 55.06 55.31 2jmr s HIS 158 Cb 0.13 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.36 2jmr s HIS 158 CO 0.22 -0.24 0.14 -1.01 -2.47 0.00 0.00 174.74 171.38 2jmr s HIS 159 N -2.49 1.42 -0.65 3.88 3.76 -1.26 -4.92 115.29 115.03 2jmr s HIS 159 Ca 0.49 -1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 53.95 2jmr s HIS 159 Cb -0.04 -0.74 0.01 0.00 1.11 0.00 0.00 32.58 32.93 2jmr s HIS 159 CO 0.29 -0.55 0.65 0.72 -0.85 0.00 0.00 174.74 174.99 2jmr n HIS 160 N -0.43 -2.83 -0.82 1.40 8.25 -1.26 -5.04 115.22 114.49 2jmr n HIS 160 Ca 0.02 1.13 -0.07 0.00 -0.26 0.00 0.00 57.72 58.54 2jmr n HIS 160 Cb 0.65 -3.43 0.06 0.00 1.12 0.00 0.00 29.99 28.39 2jmr n HIS 160 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jmr n HIS 161 N -1.40 -3.46 -0.73 4.41 -0.00 -1.26 -5.04 115.22 107.74 2jmr n HIS 161 Ca -0.06 -0.25 -0.33 0.00 0.46 0.00 0.00 57.72 57.54 2jmr n HIS 161 Cb 0.57 -0.26 0.15 0.00 -0.12 0.00 0.00 29.99 30.33 2jmr n HIS 161 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jmr n HIS 162 N -2.85 -1.48 0.19 1.57 -0.00 -1.26 -4.97 115.22 106.42 2jmr n HIS 162 Ca 0.04 0.18 -0.08 0.00 0.46 0.00 0.00 57.72 58.31 2jmr n HIS 162 Cb 0.14 -1.66 -0.04 0.00 -0.12 0.00 0.00 29.99 28.30 2jmr n HIS 162 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jmr h HIS 163 N -1.83 -0.55 -4.55 1.57 2.76 -2.07 -3.46 115.15 107.04 2jmr h HIS 163 Ca -0.49 -0.01 -0.45 0.00 -2.20 0.00 0.00 60.37 57.22 2jmr h HIS 163 Cb 1.32 0.19 -0.10 0.00 1.55 0.00 0.00 27.41 30.38 2jmr h HIS 163 CO 0.26 -0.31 -0.37 0.36 -1.30 0.00 0.00 177.93 176.56 2jmr n LYS 164 N -3.56 0.67 -0.49 5.26 2.85 -1.26 -5.15 118.16 116.48 2jmr n LYS 164 Ca -0.06 -2.78 -0.29 0.00 -1.05 0.00 0.00 58.31 54.12 2jmr n LYS 164 Cb 0.21 1.47 0.27 0.00 -0.65 0.00 0.00 35.03 36.33 2jmr n LYS 164 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 2jmr s GLN 165 N -3.26 -1.89 0.79 -1.58 0.74 -1.26 -5.00 119.66 108.19 2jmr s GLN 165 Ca 0.16 0.48 -0.14 0.00 0.05 0.00 0.00 55.36 55.90 2jmr s GLN 165 Cb 0.01 -1.47 0.06 0.00 1.10 0.00 0.00 33.01 32.71 2jmr s GLN 165 CO 0.11 -4.28 1.17 0.00 -0.55 0.00 0.00 175.29 171.74 2jmr n ALA 166 N -5.26 0.00 -1.89 1.58 0.00 -1.26 -4.95 120.51 108.74 2jmr n ALA 166 Ca 0.07 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 2jmr n ALA 166 Cb 0.57 -2.23 0.04 0.00 0.00 0.00 0.00 19.45 17.83 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jmr n ASP 167 N -2.91 6.76 -1.91 0.00 5.75 -1.26 -4.62 116.55 118.36 2jmr n ASP 167 Ca 0.14 -3.79 -0.18 0.00 -0.01 0.00 0.00 54.79 50.94 2jmr n ASP 167 Cb 0.50 -0.85 -0.06 0.00 -1.03 0.00 0.00 41.12 39.68 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jmr n SER 168 N -0.64 0.14 -4.65 -1.12 7.64 -1.26 -4.81 113.62 108.91 2jmr n SER 168 Ca 0.52 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 60.07 2jmr n SER 168 Cb 0.50 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 2jmr n SER 168 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jmr s THR 169 N 3.75 3.49 0.32 0.44 2.01 -0.75 -3.29 115.64 121.61 2jmr s THR 169 Ca 0.57 0.58 -0.26 0.00 0.31 0.00 0.00 61.69 62.90 2jmr s THR 169 Cb -0.54 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 2jmr s THR 169 CO 0.21 -0.09 0.97 -0.63 -0.69 0.00 0.00 174.62 174.39 2jmr s ILE 170 N 4.56 4.07 -0.33 1.82 -1.09 0.07 -4.15 121.20 126.16 2jmr s ILE 170 Ca 0.77 1.76 0.01 0.00 -2.23 0.00 0.00 60.65 60.95 2jmr s ILE 170 Cb -0.33 -3.99 0.14 0.00 -1.58 0.00 0.00 42.46 36.70 2jmr s ILE 170 CO 0.31 0.17 0.32 -0.89 -1.23 0.00 0.00 174.94 173.63 2jmr s THR 171 N -1.55 -0.33 0.08 2.92 2.01 -1.25 -3.72 115.64 113.81 2jmr s THR 171 Ca 0.50 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.54 2jmr s THR 171 Cb -0.21 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 2jmr s THR 171 CO 0.26 -0.56 0.53 -0.63 -0.69 0.00 0.00 174.62 173.54 2jmr s ILE 172 N 1.88 4.82 0.41 1.82 1.01 -1.23 -0.80 121.20 129.10 2jmr s ILE 172 Ca 0.13 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.84 2jmr s ILE 172 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 2jmr s ILE 172 CO -0.18 0.46 0.08 0.54 0.00 0.00 0.00 174.94 175.84 2jmr n ARG 173 N 1.45 0.72 -1.75 2.79 5.12 -0.21 -3.01 116.66 121.77 2jmr n ARG 173 Ca -0.09 -3.23 0.00 0.00 -1.93 0.00 0.00 57.85 52.60 2jmr n ARG 173 Cb 0.51 1.39 0.00 0.00 -1.16 0.00 0.00 32.46 33.21 2jmr n ARG 173 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jmr n GLY 174 N -0.51 -0.60 3.15 -0.13 0.00 -1.24 -3.84 105.19 102.01 2jmr n GLY 174 Ca -0.11 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -1.61 0.80 -0.32 1.61 5.04 -1.26 -1.47 117.35 120.14 2jmr s TYR 175 Ca 0.00 -0.98 0.04 0.00 -2.44 0.00 0.00 57.07 53.68 2jmr s TYR 175 Cb 0.00 -0.49 0.09 0.00 0.35 0.00 0.00 41.96 41.91 2jmr s TYR 175 CO 0.00 -0.24 0.01 0.08 -1.34 0.00 0.00 175.55 174.06 2jmr s VAL 176 N -3.73 2.21 -0.02 3.14 1.01 0.08 -0.22 120.40 122.88 2jmr s VAL 176 Ca 0.12 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 2jmr s VAL 176 Cb 0.06 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2jmr s VAL 176 CO -0.05 -0.46 1.05 -0.13 0.00 0.00 0.00 175.10 175.51 2jmr s ARG 177 N 0.97 4.48 0.57 2.72 1.81 -0.61 -2.23 118.95 126.66 2jmr s ARG 177 Ca 0.06 1.51 0.27 0.00 -1.72 0.00 0.00 55.73 55.85 2jmr s ARG 177 Cb -0.19 -3.47 1.53 0.00 -0.45 0.00 0.00 34.95 32.37 2jmr s ARG 177 CO -0.08 -0.20 2.04 0.38 -0.68 0.00 0.00 175.30 176.77 2jmr h ASP 178 N 6.94 0.00 0.00 0.23 2.03 -1.93 0.35 116.42 124.05 2jmr h ASP 178 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2jmr h ASP 178 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2jmr h ASP 178 CO 0.80 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.81