#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis s SER 2 N 0.00 -0.20 -0.49 1.61 1.04 -1.26 -5.11 113.70 109.29 1wis s SER 2 Ca 0.00 0.07 -0.47 0.00 0.48 0.00 0.00 55.95 56.03 1wis s SER 2 Cb 0.00 0.19 -0.20 0.00 0.10 0.00 0.00 66.02 66.12 1wis s SER 2 CO 0.00 -0.29 1.62 -1.54 0.98 0.00 0.00 173.24 174.01 1wis n SER 3 N 0.10 1.24 0.00 7.02 3.41 -1.26 -4.92 113.62 119.21 1wis n SER 3 Ca -0.03 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1wis n SER 3 Cb 0.59 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1wis n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wis n GLY 4 N 4.09 1.02 1.23 5.00 0.00 -1.26 -5.08 105.19 110.19 1wis n GLY 4 Ca 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1wis n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wis n SER 5 N 0.00 0.68 -2.83 1.61 2.88 -1.26 -5.11 113.62 109.59 1wis n SER 5 Ca 0.00 0.17 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1wis n SER 5 Cb 0.00 -0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 63.29 1wis n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wis n SER 6 N -3.38 -5.10 0.00 -3.46 7.64 -1.26 -5.03 113.62 103.03 1wis n SER 6 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1wis n SER 6 Cb 0.08 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1wis n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wis n GLY 7 N 1.48 0.61 3.77 0.23 0.00 -1.26 -5.05 105.19 104.98 1wis n GLY 7 Ca -0.15 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1wis n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wis s THR 8 N 0.00 4.35 0.54 2.61 -1.32 -1.26 -5.12 115.64 115.45 1wis s THR 8 Ca 0.00 -1.14 -0.08 0.00 -1.21 0.00 0.00 61.69 59.26 1wis s THR 8 Cb 0.00 -3.21 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 1wis s THR 8 CO 0.00 -0.11 0.89 0.27 -2.21 0.00 0.00 174.62 173.47 1wis s ILE 9 N -1.75 4.79 0.11 5.08 -5.25 -1.26 -5.07 121.20 117.85 1wis s ILE 9 Ca 0.30 0.49 -0.05 0.00 -0.99 0.00 0.00 60.65 60.40 1wis s ILE 9 Cb -0.10 -3.86 -0.05 0.00 2.95 0.00 0.00 42.46 41.40 1wis s ILE 9 CO 0.23 -0.97 0.34 -0.44 -1.79 0.00 0.00 174.94 172.31 1wis s SER 10 N -4.14 6.49 0.07 4.36 0.01 -1.26 -5.01 113.70 114.21 1wis s SER 10 Ca 0.51 0.56 -0.24 0.00 1.31 0.00 0.00 55.95 58.09 1wis s SER 10 Cb -0.11 -2.08 -0.16 0.00 0.21 0.00 0.00 66.02 63.88 1wis s SER 10 CO 0.49 0.10 1.65 -1.28 0.41 0.00 0.00 173.24 174.62 1wis h SER 11 N 3.08 -0.02 0.00 2.44 0.87 -2.06 -3.45 113.55 114.40 1wis h SER 11 Ca -0.47 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1wis h SER 11 Cb 1.17 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1wis h SER 11 CO 0.72 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.69 1wis n GLY 12 N -0.88 2.89 3.47 5.77 0.00 -1.26 -5.09 105.19 110.09 1wis n GLY 12 Ca -0.07 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1wis n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wis s VAL 13 N 4.50 4.32 0.44 1.61 0.11 -1.26 -5.09 120.40 125.03 1wis s VAL 13 Ca 0.00 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.65 1wis s VAL 13 Cb 0.00 -3.00 -0.09 0.00 -1.53 0.00 0.00 36.38 31.76 1wis s VAL 13 CO 0.00 0.37 1.05 -2.16 -3.33 0.00 0.00 175.10 171.03 1wis s PRO 14 N 1.33 4.00 0.85 1.54 0.04 -1.26 -5.04 135.00 136.46 1wis s PRO 14 Ca 0.05 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1wis s PRO 14 Cb -0.15 -2.35 0.10 0.00 0.04 0.00 0.00 34.50 32.14 1wis s PRO 14 CO 0.03 -0.27 1.11 -1.25 0.04 0.00 0.00 177.00 176.66 1wis s PRO 15 N -2.81 1.67 0.48 0.56 0.04 -1.26 -5.09 135.00 128.59 1wis s PRO 15 Ca 0.62 0.49 0.03 0.00 0.04 0.00 0.00 61.00 62.17 1wis s PRO 15 Cb -0.20 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1wis s PRO 15 CO 0.24 -1.87 0.01 -1.21 0.04 0.00 0.00 177.00 174.21 1wis s GLU 16 N -5.21 2.13 0.54 4.56 2.02 -1.12 -4.87 118.70 116.75 1wis s GLU 16 Ca 0.62 -2.31 -0.17 0.00 0.02 0.00 0.00 54.97 53.13 1wis s GLU 16 Cb -0.15 -1.58 -0.06 0.00 0.10 0.00 0.00 34.13 32.44 1wis s GLU 16 CO 0.54 -0.28 1.02 -0.51 0.02 0.00 0.00 175.26 176.05 1wis s LEU 17 N -3.84 3.62 0.00 1.80 1.43 -1.26 -4.66 118.68 115.77 1wis s LEU 17 Ca 0.15 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1wis s LEU 17 Cb 0.04 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1wis s LEU 17 CO 0.08 -0.84 0.00 -0.81 0.23 0.00 0.00 176.35 175.00 1wis n PRO 18 N -1.62 0.83 -4.31 1.29 -0.04 -1.21 -4.40 135.00 125.54 1wis n PRO 18 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1wis n PRO 18 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -1.20 1.66 -0.21 0.55 0.00 0.21 -4.90 107.32 103.43 1wis s GLY 19 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 1wis s GLY 19 CO 0.00 -1.60 1.30 2.56 0.00 0.00 0.00 173.10 175.36 1wis s PRO 20 N -4.00 4.11 0.20 2.90 0.04 -1.26 -4.54 135.00 132.44 1wis s PRO 20 Ca 0.35 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1wis s PRO 20 Cb 0.07 -3.82 -0.08 0.00 0.04 0.00 0.00 34.50 30.71 1wis s PRO 20 CO 0.12 -0.87 1.11 -1.25 0.04 0.00 0.00 177.00 176.15 1wis s PRO 21 N 3.79 4.59 0.00 0.56 0.04 -1.26 -4.55 135.00 138.17 1wis s PRO 21 Ca 0.56 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1wis s PRO 21 Cb -0.20 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1wis s PRO 21 CO 0.18 0.09 0.00 0.25 0.04 0.00 0.00 177.00 177.56 1wis n THR 22 N 2.15 0.00 -2.35 1.26 -2.24 -1.17 -4.73 114.28 107.19 1wis n THR 22 Ca 0.02 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.62 1wis n THR 22 Cb 0.46 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -1.34 -5.33 -4.78 3.42 4.13 -1.26 -1.99 115.26 108.10 1wis n ASN 23 Ca 0.00 -0.02 -0.36 0.00 1.68 0.00 0.00 54.58 55.88 1wis n ASN 23 Cb 0.00 -4.39 -0.02 0.00 -1.54 0.00 0.00 39.78 33.82 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wis s LEU 24 N -5.29 3.97 0.00 3.41 2.96 -1.26 -3.83 118.68 118.64 1wis s LEU 24 Ca 0.00 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1wis s LEU 24 Cb -0.00 -4.35 0.00 0.00 0.50 0.00 0.00 46.19 42.34 1wis s LEU 24 CO 0.00 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 1wis n GLY 25 N 0.22 1.29 3.29 7.98 0.00 -1.01 -4.96 105.19 112.00 1wis n GLY 25 Ca 0.08 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1wis n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wis s ILE 26 N -0.73 3.41 0.34 -0.61 1.09 -1.26 -0.24 121.20 123.20 1wis s ILE 26 Ca 0.00 -0.67 0.07 0.00 -1.10 0.00 0.00 60.65 58.95 1wis s ILE 26 Cb 0.00 -2.65 -0.07 0.00 -1.06 0.00 0.00 42.46 38.68 1wis s ILE 26 CO 0.00 0.28 -0.03 -0.55 -0.10 0.00 0.00 174.94 174.53 1wis s SER 27 N 1.45 3.28 -1.35 3.58 0.15 -0.82 -4.75 113.70 115.23 1wis s SER 27 Ca 0.04 -1.27 -0.07 0.00 0.70 0.00 0.00 55.95 55.35 1wis s SER 27 Cb -0.16 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1wis s SER 27 CO -0.02 -0.37 1.10 0.59 1.20 0.00 0.00 173.24 175.74 1wis n ASN 28 N -0.76 -4.99 -4.67 5.45 3.02 -1.26 -2.62 115.26 109.43 1wis n ASN 28 Ca -0.05 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 1wis n ASN 28 Cb 0.65 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.34 3.27 0.00 2.41 1.01 -1.26 -4.29 121.20 119.00 1wis s ILE 29 Ca 0.45 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1wis s ILE 29 Cb -0.20 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1wis s ILE 29 CO 0.75 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.27 1wis n GLY 30 N 4.23 1.94 0.14 6.18 0.00 0.15 -4.70 105.19 113.13 1wis n GLY 30 Ca 0.18 -1.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 -0.24 0.00 1.61 0.13 -1.85 -0.17 132.00 131.47 1wis h PRO 31 Ca 0.00 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 1wis h PRO 31 Cb 0.00 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 31.10 1wis h PRO 31 CO 0.00 0.03 -0.47 0.54 -0.23 0.00 0.00 178.00 177.87 1wis n ARG 32 N -4.93 0.68 -3.71 0.86 1.74 -1.26 -3.65 116.66 106.39 1wis n ARG 32 Ca -0.06 -2.13 -0.12 0.00 -0.77 0.00 0.00 57.85 54.78 1wis n ARG 32 Cb 0.20 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 30.63 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -2.20 -0.51 0.13 0.55 1.04 -1.26 -2.42 113.70 109.03 1wis s SER 33 Ca 0.24 0.94 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1wis s SER 33 Cb 0.24 0.91 -0.02 0.00 0.10 0.00 0.00 66.02 67.25 1wis s SER 33 CO -0.04 -0.17 0.16 0.68 0.98 0.00 0.00 173.24 174.85 1wis s VAL 34 N 0.62 0.11 -0.23 5.02 -7.23 -1.15 0.31 120.40 117.84 1wis s VAL 34 Ca -0.03 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1wis s VAL 34 Cb -0.05 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1wis s VAL 34 CO -0.04 -0.50 0.08 -0.89 -0.31 0.00 0.00 175.10 173.44 1wis s THR 35 N -3.96 4.59 -0.19 5.32 2.01 -1.08 0.79 115.64 123.12 1wis s THR 35 Ca 0.15 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.98 1wis s THR 35 Cb 0.05 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1wis s THR 35 CO -0.03 0.37 0.10 -0.22 -0.69 0.00 0.00 174.62 174.15 1wis s LEU 36 N 1.17 4.03 0.20 4.42 0.20 0.80 -1.94 118.68 127.57 1wis s LEU 36 Ca 0.05 0.16 0.09 0.00 0.69 0.00 0.00 54.13 55.12 1wis s LEU 36 Cb -0.14 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 1wis s LEU 36 CO 0.04 0.18 -0.06 -1.10 -0.29 0.00 0.00 176.35 175.11 1wis s GLN 37 N 0.37 2.16 -0.05 1.98 -0.21 0.66 -1.43 119.66 123.14 1wis s GLN 37 Ca 0.06 -1.28 -0.22 0.00 0.02 0.00 0.00 55.36 53.94 1wis s GLN 37 Cb -0.12 -2.18 0.07 0.00 1.00 0.00 0.00 33.01 31.78 1wis s GLN 37 CO -0.01 0.42 0.98 1.97 -2.12 0.00 0.00 175.29 176.53 1wis n PHE 38 N -0.19 -0.15 -3.73 0.91 -1.74 -0.94 -2.42 117.46 109.19 1wis n PHE 38 Ca -0.10 -0.44 -0.12 0.00 -0.56 0.00 0.00 57.45 56.23 1wis n PHE 38 Cb 0.56 0.20 -0.11 0.00 1.52 0.00 0.00 39.48 41.65 1wis n PHE 38 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 1wis s ARG 39 N -2.01 0.37 -0.42 3.97 1.70 -0.84 -4.68 118.95 117.04 1wis s ARG 39 Ca 0.23 0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 55.80 1wis s ARG 39 Cb -0.00 0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1wis s ARG 39 CO -0.01 -0.10 1.41 -1.25 -1.08 0.00 0.00 175.30 174.27 1wis s PRO 40 N 0.77 3.56 0.00 3.89 0.04 -1.26 -3.06 135.00 138.93 1wis s PRO 40 Ca -0.05 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1wis s PRO 40 Cb -0.06 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1wis s PRO 40 CO -0.05 -1.59 0.47 0.41 0.04 0.00 0.00 177.00 176.27 1wis n GLY 41 N 5.10 -1.38 2.89 0.56 0.00 -1.26 -4.73 105.19 106.37 1wis n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -1.75 2.79 0.13 1.61 5.04 -1.26 -4.98 117.35 118.93 1wis s TYR 42 Ca 0.00 -2.38 -0.22 0.00 -2.44 0.00 0.00 57.07 52.03 1wis s TYR 42 Cb 0.00 -2.32 -0.02 0.00 0.35 0.00 0.00 41.96 39.97 1wis s TYR 42 CO 0.00 -0.91 1.68 -0.44 -1.34 0.00 0.00 175.55 174.54 1wis h ASP 43 N 7.84 -0.40 0.00 4.32 3.32 -1.87 0.59 116.42 130.22 1wis h ASP 43 Ca -0.09 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1wis h ASP 43 Cb 1.02 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1wis h ASP 43 CO 0.49 -0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1wis n GLY 44 N -1.27 1.64 2.97 2.75 0.00 -1.26 -3.36 105.19 106.66 1wis n GLY 44 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N -0.30 -4.83 -3.46 1.61 5.02 -1.26 -2.79 118.16 112.15 1wis n LYS 45 Ca 0.00 0.84 0.01 0.00 -2.02 0.00 0.00 58.31 57.14 1wis n LYS 45 Cb 0.00 -5.58 -0.05 0.00 -0.02 0.00 0.00 35.03 29.38 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -3.15 -0.24 0.56 -0.18 -1.32 -1.26 -4.85 115.64 105.19 1wis s THR 46 Ca 0.31 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.58 1wis s THR 46 Cb -0.13 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 1wis s THR 46 CO 0.38 0.00 1.07 -1.20 -2.21 0.00 0.00 174.62 172.65 1wis n SER 47 N 4.34 1.31 -4.77 8.08 7.64 -1.26 -4.82 113.62 124.15 1wis n SER 47 Ca -0.12 0.89 -0.38 0.00 1.01 0.00 0.00 58.87 60.26 1wis n SER 47 Cb 0.55 -1.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wis s ILE 48 N -1.42 2.78 -0.09 0.44 -1.09 -1.26 -4.81 121.20 115.75 1wis s ILE 48 Ca 0.73 0.63 0.10 0.00 -2.23 0.00 0.00 60.65 59.88 1wis s ILE 48 Cb -0.44 -3.34 -0.24 0.00 -1.58 0.00 0.00 42.46 36.86 1wis s ILE 48 CO 0.49 0.04 0.50 -0.24 -1.23 0.00 0.00 174.94 174.50 1wis n SER 49 N -0.28 0.99 -3.64 3.58 2.88 0.26 -4.20 113.62 113.21 1wis n SER 49 Ca 0.06 0.30 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 1wis n SER 49 Cb 0.46 -0.05 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wis s ARG 50 N -2.57 0.44 -0.09 -1.46 3.00 -1.20 -1.28 118.95 115.79 1wis s ARG 50 Ca -0.09 0.51 -0.12 0.00 -1.00 0.00 0.00 55.73 55.03 1wis s ARG 50 Cb 0.07 0.21 -0.05 0.00 0.00 0.00 0.00 34.95 35.19 1wis s ARG 50 CO 0.81 -0.06 0.29 -1.58 0.00 0.00 0.00 175.30 174.77 1wis s TRP 51 N 0.17 3.60 -0.16 5.12 0.52 0.26 -2.62 118.94 125.83 1wis s TRP 51 Ca 0.04 0.73 -0.04 0.00 0.02 0.00 0.00 56.10 56.84 1wis s TRP 51 Cb -0.05 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1wis s TRP 51 CO -0.07 0.54 -0.01 -0.51 0.02 0.00 0.00 176.95 176.91 1wis s LEU 52 N -0.55 3.39 -0.29 2.99 1.02 -0.34 -0.72 118.68 124.18 1wis s LEU 52 Ca 0.19 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.29 1wis s LEU 52 Cb -0.14 -1.82 0.08 0.00 0.02 0.00 0.00 46.19 44.32 1wis s LEU 52 CO 0.08 0.18 -0.01 -0.69 0.02 0.00 0.00 176.35 175.92 1wis s VAL 53 N 0.31 1.95 0.23 -1.59 1.01 0.25 -0.60 120.40 121.97 1wis s VAL 53 Ca -0.02 -1.81 0.06 0.00 0.00 0.00 0.00 61.98 60.21 1wis s VAL 53 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1wis s VAL 53 CO 0.02 -0.34 0.22 -1.61 0.00 0.00 0.00 175.10 173.40 1wis s GLU 54 N 1.13 3.04 0.15 2.72 2.02 -0.52 -0.88 118.70 126.36 1wis s GLU 54 Ca 0.02 -0.96 -0.10 0.00 0.02 0.00 0.00 54.97 53.95 1wis s GLU 54 Cb -0.19 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 1wis s GLU 54 CO -0.09 0.42 0.31 0.00 0.02 0.00 0.00 175.26 175.92 1wis s ALA 55 N -2.04 -0.21 0.03 5.21 0.00 -0.74 0.30 121.76 124.31 1wis s ALA 55 Ca 0.33 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.67 1wis s ALA 55 Cb -0.08 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1wis s ALA 55 CO 0.26 -0.64 -0.26 -0.65 0.00 0.00 0.00 175.76 174.46 1wis s GLN 56 N -3.93 1.88 -0.05 0.00 -0.21 -1.25 -3.58 119.66 112.52 1wis s GLN 56 Ca 0.13 -1.06 -0.20 0.00 0.02 0.00 0.00 55.36 54.25 1wis s GLN 56 Cb 0.03 -1.99 -0.05 0.00 1.00 0.00 0.00 33.01 32.00 1wis s GLN 56 CO -0.03 0.52 0.58 0.54 -2.12 0.00 0.00 175.29 174.79 1wis s VAL 57 N -0.75 5.03 0.00 1.09 0.11 -1.26 -3.04 120.40 121.57 1wis s VAL 57 Ca 0.11 1.20 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 1wis s VAL 57 Cb -0.10 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1wis s VAL 57 CO 0.01 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1wis n GLY 58 N 2.83 0.52 3.52 6.54 0.00 0.02 -4.26 105.19 114.34 1wis n GLY 58 Ca -0.06 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 1wis n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wis n VAL 59 N 0.00 -0.02 -3.33 1.61 3.14 -1.26 -4.79 118.33 113.67 1wis n VAL 59 Ca 0.00 -0.30 -0.44 0.00 -2.96 0.00 0.00 64.34 60.64 1wis n VAL 59 Cb 0.00 -1.06 -0.00 0.00 -1.06 0.00 0.00 33.84 31.71 1wis n VAL 59 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1wis n VAL 60 N 7.40 4.52 0.00 1.55 0.31 -1.26 -4.90 118.33 125.95 1wis n VAL 60 Ca 0.58 -5.42 0.00 0.00 -0.01 0.00 0.00 64.34 59.49 1wis n VAL 60 Cb 0.19 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.60 1wis n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 61 N 2.49 -0.02 4.21 2.92 0.00 -1.26 -5.16 105.19 108.37 1wis n GLY 61 Ca 0.24 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.34 1wis n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wis n GLU 62 N 0.00 -1.05 -1.04 1.61 1.02 -1.26 -3.30 120.64 116.62 1wis n GLU 62 Ca 0.00 0.69 -0.20 0.00 -0.02 0.00 0.00 57.16 57.63 1wis n GLU 62 Cb 0.00 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wis n GLY 63 N -1.59 3.30 3.96 0.62 0.00 -1.26 -4.86 105.19 105.36 1wis n GLY 63 Ca 0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1wis n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 64 N 1.55 2.48 0.32 1.61 0.41 -1.21 -5.14 118.70 118.73 1wis s GLU 64 Ca 0.64 -1.60 0.08 0.00 -0.41 0.00 0.00 54.97 53.68 1wis s GLU 64 Cb 0.25 -2.48 -0.03 0.00 -1.78 0.00 0.00 34.13 30.09 1wis s GLU 64 CO -0.02 -0.48 0.22 -1.83 -0.49 0.00 0.00 175.26 172.66 1wis s GLU 65 N -4.36 2.62 -0.33 1.61 -1.05 -1.26 -5.03 118.70 110.90 1wis s GLU 65 Ca 0.51 -1.35 -0.01 0.00 -0.15 0.00 0.00 54.97 53.96 1wis s GLU 65 Cb -0.05 -2.38 0.07 0.00 -0.44 0.00 0.00 34.13 31.32 1wis s GLU 65 CO 0.31 0.15 0.05 -1.58 0.95 0.00 0.00 175.26 175.13 1wis s TRP 66 N -2.32 3.37 0.31 4.83 0.52 -1.26 -4.90 118.94 119.48 1wis s TRP 66 Ca 0.39 -2.09 -0.11 0.00 0.02 0.00 0.00 56.10 54.30 1wis s TRP 66 Cb -0.05 -2.41 -0.07 0.00 -1.15 0.00 0.00 33.47 29.78 1wis s TRP 66 CO 0.25 -0.85 0.66 -0.51 0.02 0.00 0.00 176.95 176.52 1wis s LEU 67 N 1.20 4.05 0.52 2.99 1.43 -1.23 -4.87 118.68 122.75 1wis s LEU 67 Ca -0.01 1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.98 1wis s LEU 67 Cb -0.20 -3.88 -0.07 0.00 0.03 0.00 0.00 46.19 42.06 1wis s LEU 67 CO -0.02 -0.20 1.00 -0.22 0.23 0.00 0.00 176.35 177.14 1wis s LEU 68 N -3.17 3.67 0.00 1.79 2.96 -1.26 -1.79 118.68 120.88 1wis s LEU 68 Ca 0.50 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 1wis s LEU 68 Cb -0.11 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1wis s LEU 68 CO 0.23 -0.70 0.00 2.30 -1.32 0.00 0.00 176.35 176.86 1wis n ILE 69 N -1.46 0.00 -4.21 6.68 -5.35 -0.06 -4.84 119.36 110.11 1wis n ILE 69 Ca 0.07 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.36 1wis n ILE 69 Cb 0.54 -0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 37.59 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.89 1.37 -0.23 4.28 5.04 -0.46 -4.92 115.29 118.48 1wis s HIS 70 Ca 0.00 -0.48 -0.12 0.00 -1.54 0.00 0.00 55.06 52.93 1wis s HIS 70 Cb 0.00 -0.75 0.08 0.00 0.04 0.00 0.00 32.58 31.95 1wis s HIS 70 CO 0.00 0.11 0.55 1.14 -2.34 0.00 0.00 174.74 174.20 1wis s GLN 71 N -2.03 0.53 -0.39 2.88 -2.07 -1.26 0.87 119.66 118.20 1wis s GLN 71 Ca 0.03 1.08 -0.11 0.00 -1.82 0.00 0.00 55.36 54.53 1wis s GLN 71 Cb -0.09 0.20 0.03 0.00 -1.09 0.00 0.00 33.01 32.07 1wis s GLN 71 CO 0.03 -0.17 0.23 -1.17 -1.32 0.00 0.00 175.29 172.89 1wis s LEU 72 N 1.84 4.85 0.24 2.60 2.96 0.10 -4.90 118.68 126.36 1wis s LEU 72 Ca -0.08 -1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 52.77 1wis s LEU 72 Cb -0.08 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1wis s LEU 72 CO -0.16 -0.42 0.43 -0.44 -1.32 0.00 0.00 176.35 174.44 1wis s SER 73 N 1.65 6.37 -0.52 3.68 0.01 -1.26 0.93 113.70 124.56 1wis s SER 73 Ca 0.02 0.42 -0.31 0.00 1.31 0.00 0.00 55.95 57.39 1wis s SER 73 Cb -0.20 -2.02 0.05 0.00 0.21 0.00 0.00 66.02 64.06 1wis s SER 73 CO 0.07 -0.10 0.65 -3.20 0.41 0.00 0.00 173.24 171.07 1wis n ASN 74 N -0.91 -5.45 0.00 2.44 5.15 -0.40 -4.93 115.26 111.16 1wis n ASN 74 Ca -0.05 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1wis n ASN 74 Cb 0.54 -1.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wis n GLU 75 N -0.67 0.00 0.00 1.20 1.02 -1.26 -5.00 120.64 115.93 1wis n GLU 75 Ca -0.13 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.12 1wis n GLU 75 Cb 0.68 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.76 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wis n PRO 76 N 0.00 0.75 -2.38 3.49 -0.04 -1.26 -3.22 135.00 132.34 1wis n PRO 76 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1wis n PRO 76 Cb 0.00 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.01 1wis n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 77 N -0.96 5.35 -3.83 3.54 8.00 -1.26 -4.82 116.55 122.57 1wis n ASP 77 Ca 0.17 -3.74 -0.29 0.00 0.71 0.00 0.00 54.79 51.63 1wis n ASP 77 Cb 0.08 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.41 1wis n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wis s ALA 78 N -3.66 1.54 0.15 2.24 0.00 -1.20 -4.98 121.76 115.84 1wis s ALA 78 Ca 0.49 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1wis s ALA 78 Cb 0.40 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 1wis s ALA 78 CO -0.24 -1.28 1.34 0.00 0.00 0.00 0.00 175.76 175.58 1wis h ARG 79 N 8.08 0.24 -4.29 0.00 2.47 -1.92 -3.47 114.38 115.50 1wis h ARG 79 Ca -0.16 -0.28 -0.18 0.00 -1.26 0.00 0.00 59.98 58.11 1wis h ARG 79 Cb 1.08 0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 29.35 1wis h ARG 79 CO 0.39 1.01 -0.49 -1.54 0.56 0.00 0.00 179.97 179.91 1wis s SER 80 N -6.97 0.12 0.01 7.04 1.04 -1.26 -2.23 113.70 111.44 1wis s SER 80 Ca -0.03 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 54.92 1wis s SER 80 Cb 0.10 0.41 0.10 0.00 0.10 0.00 0.00 66.02 66.73 1wis s SER 80 CO 0.84 -0.89 0.84 0.00 0.98 0.00 0.00 173.24 175.01 1wis s MET 81 N -4.09 0.89 0.16 4.02 0.23 -0.52 -4.99 119.30 115.00 1wis s MET 81 Ca 0.30 -0.26 -0.25 0.00 -1.03 0.00 0.00 55.69 54.46 1wis s MET 81 Cb 0.05 0.41 -0.08 0.00 -1.53 0.00 0.00 34.83 33.68 1wis s MET 81 CO 0.08 -0.37 0.76 -2.00 -2.03 0.00 0.00 175.02 171.45 1wis s GLU 82 N -2.92 4.54 -0.53 3.16 2.12 -1.26 -0.14 118.70 123.66 1wis s GLU 82 Ca 0.03 1.12 -0.02 0.00 0.36 0.00 0.00 54.97 56.46 1wis s GLU 82 Cb -0.01 -3.26 0.14 0.00 0.26 0.00 0.00 34.13 31.26 1wis s GLU 82 CO -0.08 0.57 0.33 0.08 -0.54 0.00 0.00 175.26 175.62 1wis s VAL 83 N -1.12 3.41 0.00 3.70 1.01 0.24 -4.92 120.40 122.71 1wis s VAL 83 Ca 0.35 -2.66 0.00 0.00 0.00 0.00 0.00 61.98 59.67 1wis s VAL 83 Cb -0.23 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1wis s VAL 83 CO 0.26 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.75 1wis n PRO 84 N 3.86 0.29 -3.75 2.72 -0.04 -1.26 -2.95 135.00 133.87 1wis n PRO 84 Ca 0.04 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 1wis n PRO 84 Cb 0.39 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.86 1wis n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wis n ASP 85 N -1.43 -5.14 -4.32 3.54 2.03 -1.18 -4.85 116.55 105.20 1wis n ASP 85 Ca 0.00 -0.95 -0.30 0.00 0.52 0.00 0.00 54.79 54.06 1wis n ASP 85 Cb 0.00 -2.44 -0.15 0.00 -0.72 0.00 0.00 41.12 37.81 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wis s LEU 86 N -5.74 2.11 -0.38 -2.67 1.43 -1.01 -5.00 118.68 107.41 1wis s LEU 86 Ca 0.21 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1wis s LEU 86 Cb -0.10 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1wis s LEU 86 CO 0.89 0.28 0.76 0.20 0.23 0.00 0.00 176.35 178.71 1wis s ASN 87 N -0.91 6.51 0.40 2.29 -0.87 -1.26 -4.41 114.94 116.69 1wis s ASN 87 Ca 0.11 0.24 -0.24 0.00 -1.57 0.00 0.00 52.86 51.39 1wis s ASN 87 Cb -0.10 -2.38 -0.09 0.00 -0.02 0.00 0.00 41.25 38.66 1wis s ASN 87 CO 0.01 -0.75 1.05 -2.16 -2.57 0.00 0.00 177.10 172.68 1wis s PRO 88 N 3.08 4.13 -0.83 -0.60 0.04 -1.24 -3.58 135.00 136.00 1wis s PRO 88 Ca 0.30 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1wis s PRO 88 Cb -0.13 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1wis s PRO 88 CO 0.18 -0.17 0.50 0.34 0.04 0.00 0.00 177.00 177.88 1wis n PHE 89 N -0.12 -1.36 -3.76 0.56 7.35 -0.94 -4.88 117.46 114.31 1wis n PHE 89 Ca 0.05 0.43 -0.13 0.00 -0.76 0.00 0.00 57.45 57.04 1wis n PHE 89 Cb 0.50 -3.13 -0.11 0.00 0.35 0.00 0.00 39.48 37.08 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.03 -0.01 -0.25 -2.13 2.01 -1.23 -5.02 115.64 105.98 1wis s THR 90 Ca 0.25 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1wis s THR 90 Cb -0.11 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1wis s THR 90 CO 0.31 0.01 1.21 0.00 -0.69 0.00 0.00 174.62 175.45 1wis s TYR 92 N 3.81 0.95 0.37 0.00 2.02 -1.26 -0.80 117.35 122.43 1wis s TYR 92 Ca 0.52 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1wis s TYR 92 Cb -0.17 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 1wis s TYR 92 CO 0.17 -0.24 0.02 0.43 -1.57 0.00 0.00 175.55 174.35 1wis n SER 93 N -0.10 2.98 -3.66 2.29 7.64 -1.17 -4.09 113.62 117.51 1wis n SER 93 Ca -0.10 -2.59 -0.07 0.00 1.01 0.00 0.00 58.87 57.12 1wis n SER 93 Cb 0.62 0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.98 1wis n SER 93 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1wis s PHE 94 N -2.30 -0.95 0.04 1.43 0.08 -1.25 -3.95 117.98 111.07 1wis s PHE 94 Ca 0.01 1.86 0.06 0.00 0.12 0.00 0.00 56.93 58.99 1wis s PHE 94 Cb -0.00 0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 42.95 1wis s PHE 94 CO 0.01 -0.49 -0.18 -0.98 -0.10 0.00 0.00 175.22 173.48 1wis s ARG 95 N 1.87 1.19 0.29 0.44 1.70 0.15 -2.73 118.95 121.87 1wis s ARG 95 Ca -0.08 -0.83 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 1wis s ARG 95 Cb -0.08 -1.25 -0.03 0.00 -0.57 0.00 0.00 34.95 33.02 1wis s ARG 95 CO -0.17 0.32 0.46 -1.64 -1.08 0.00 0.00 175.30 173.18 1wis s MET 96 N -1.09 3.46 -0.07 3.89 -1.94 -1.26 -1.44 119.30 120.85 1wis s MET 96 Ca 0.05 -0.55 -0.25 0.00 -1.71 0.00 0.00 55.69 53.23 1wis s MET 96 Cb -0.08 -2.78 0.06 0.00 2.01 0.00 0.00 34.83 34.04 1wis s MET 96 CO 0.01 0.28 0.56 1.03 -0.01 0.00 0.00 175.02 176.90 1wis s ARG 97 N -4.15 0.90 0.08 2.03 0.52 0.23 -3.51 118.95 115.04 1wis s ARG 97 Ca 0.37 0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.87 1wis s ARG 97 Cb -0.09 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 1wis s ARG 97 CO 0.33 -0.25 -0.14 -0.65 0.02 0.00 0.00 175.30 174.60 1wis s GLN 98 N -1.01 2.07 -0.03 3.54 -0.21 -1.26 -1.19 119.66 121.56 1wis s GLN 98 Ca -0.10 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 1wis s GLN 98 Cb -0.02 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.77 1wis s GLN 98 CO 0.07 0.52 0.04 0.08 -2.12 0.00 0.00 175.29 173.88 1wis s VAL 99 N -1.10 -0.04 0.40 1.09 1.01 -1.08 -1.88 120.40 118.80 1wis s VAL 99 Ca 0.18 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1wis s VAL 99 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1wis s VAL 99 CO 0.10 0.15 0.19 -0.46 0.00 0.00 0.00 175.10 175.07 1wis n ASN 100 N 4.78 0.72 0.12 3.32 0.23 -0.46 0.92 115.26 124.90 1wis n ASN 100 Ca -0.14 -3.22 0.09 0.00 -0.53 0.00 0.00 54.58 50.77 1wis n ASN 100 Cb 0.50 1.22 0.44 0.00 -2.08 0.00 0.00 39.78 39.86 1wis n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wis n ILE 101 N -0.86 1.23 0.00 1.53 0.13 -1.26 -2.78 119.36 117.34 1wis n ILE 101 Ca -0.02 0.61 0.00 0.00 -1.10 0.00 0.00 62.75 62.24 1wis n ILE 101 Cb 0.62 -1.60 0.00 0.00 -0.84 0.00 0.00 39.64 37.83 1wis n ILE 101 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1wis n VAL 102 N -2.06 0.00 -1.31 9.51 0.31 -1.26 -5.05 118.33 118.47 1wis n VAL 102 Ca -0.01 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 1wis n VAL 102 Cb 0.05 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 2.00 2.68 2.86 2.92 0.00 -1.12 -5.01 105.19 109.52 1wis n GLY 103 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -1.03 1.46 1.00 2.61 2.01 -1.26 -1.35 115.64 119.08 1wis s THR 104 Ca 0.00 -1.69 -0.19 0.00 0.31 0.00 0.00 61.69 60.12 1wis s THR 104 Cb 0.00 -2.03 -0.12 0.00 0.01 0.00 0.00 72.50 70.36 1wis s THR 104 CO 0.00 -0.56 -0.80 -1.54 -0.69 0.00 0.00 174.62 171.03 1wis n SER 105 N 4.62 -4.48 -4.37 3.53 3.41 -0.79 -4.94 113.62 110.59 1wis n SER 105 Ca -0.01 0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 1wis n SER 105 Cb 0.42 -0.76 0.17 0.00 -0.26 0.00 0.00 64.21 63.79 1wis n SER 105 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wis s PRO 106 N -2.31 0.41 0.28 4.33 0.04 -1.26 -4.64 135.00 131.85 1wis s PRO 106 Ca 0.42 0.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.18 1wis s PRO 106 Cb -0.10 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1wis s PRO 106 CO 0.75 -2.64 1.08 -1.25 0.04 0.00 0.00 177.00 174.99 1wis s PRO 107 N -5.47 4.65 0.47 0.56 0.04 -1.26 -4.77 135.00 129.22 1wis s PRO 107 Ca 0.68 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.50 1wis s PRO 107 Cb -0.11 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1wis s PRO 107 CO 0.54 0.24 0.68 0.45 0.04 0.00 0.00 177.00 178.95 1wis s SER 108 N -0.93 5.63 0.26 6.66 0.15 -1.23 -5.03 113.70 119.20 1wis s SER 108 Ca 0.44 0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 1wis s SER 108 Cb -0.31 -1.21 -0.14 0.00 -1.71 0.00 0.00 66.02 62.65 1wis s SER 108 CO 0.40 -0.84 1.13 0.00 1.20 0.00 0.00 173.24 175.12 1wis n GLN 109 N -2.12 1.47 -2.20 5.44 6.02 -1.26 -4.71 117.38 120.02 1wis n GLN 109 Ca 0.04 0.52 -0.33 0.00 -0.01 0.00 0.00 57.00 57.22 1wis n GLN 109 Cb 0.59 -1.98 -0.00 0.00 1.02 0.00 0.00 30.24 29.86 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wis s PRO 110 N -1.10 3.49 0.83 -1.09 0.04 -1.26 -4.77 135.00 131.15 1wis s PRO 110 Ca 0.64 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1wis s PRO 110 Cb -0.72 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 31.85 1wis s PRO 110 CO 0.57 -0.67 1.12 -1.54 0.04 0.00 0.00 177.00 176.51 1wis s SER 111 N -2.62 4.20 0.84 6.66 1.04 -1.10 -4.98 113.70 117.73 1wis s SER 111 Ca 0.64 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 58.10 1wis s SER 111 Cb -0.16 -1.80 0.10 0.00 0.10 0.00 0.00 66.02 64.27 1wis s SER 111 CO 0.32 -2.14 1.13 -0.13 0.98 0.00 0.00 173.24 173.41 1wis s ARG 112 N -5.24 1.59 -0.24 4.02 0.52 -1.26 -4.73 118.95 113.60 1wis s ARG 112 Ca 0.62 1.42 -0.29 0.00 -0.52 0.00 0.00 55.73 56.96 1wis s ARG 112 Cb -0.14 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1wis s ARG 112 CO 0.53 -2.18 1.68 0.21 0.02 0.00 0.00 175.30 175.56 1wis s LYS 113 N -4.69 3.67 0.27 3.54 2.47 -1.26 -4.90 119.74 118.84 1wis s LYS 113 Ca 0.65 1.62 0.03 0.00 -1.56 0.00 0.00 55.97 56.71 1wis s LYS 113 Cb -0.21 -4.09 0.03 0.00 -1.46 0.00 0.00 37.83 32.10 1wis s LYS 113 CO 0.56 -1.45 0.24 0.44 0.16 0.00 0.00 175.35 175.30 1wis n ILE 114 N 6.69 0.00 -3.43 5.43 -5.35 -1.26 -5.07 119.36 116.36 1wis n ILE 114 Ca 0.20 -1.02 -0.15 0.00 -0.27 0.00 0.00 62.75 61.52 1wis n ILE 114 Cb 0.46 -0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 37.86 1wis n ILE 114 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1wis s GLN 115 N -3.12 0.26 0.44 6.28 0.74 -1.26 -4.35 119.66 118.64 1wis s GLN 115 Ca 0.18 0.31 -0.24 0.00 0.05 0.00 0.00 55.36 55.66 1wis s GLN 115 Cb -0.01 -0.91 -0.08 0.00 1.10 0.00 0.00 33.01 33.10 1wis s GLN 115 CO 0.12 -0.67 1.26 0.95 -0.55 0.00 0.00 175.29 176.40 1wis s THR 116 N 2.41 2.72 1.31 -0.34 -4.23 -1.26 -4.94 115.64 111.31 1wis s THR 116 Ca 0.09 0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 61.00 1wis s THR 116 Cb -0.16 -3.33 0.32 0.00 1.34 0.00 0.00 72.50 70.68 1wis s THR 116 CO -0.14 0.04 1.00 -0.76 -0.54 0.00 0.00 174.62 174.22 1wis s LEU 117 N -2.78 -0.20 0.32 4.79 1.43 -0.08 -2.20 118.68 119.96 1wis s LEU 117 Ca 0.61 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.48 1wis s LEU 117 Cb -0.35 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 43.27 1wis s LEU 117 CO 0.44 -4.75 0.70 -1.10 0.23 0.00 0.00 176.35 171.86 1wis s GLN 118 N -5.07 3.92 0.03 1.70 -0.21 -1.26 -2.93 119.66 115.85 1wis s GLN 118 Ca 0.69 0.55 -0.20 0.00 0.02 0.00 0.00 55.36 56.42 1wis s GLN 118 Cb -0.14 -2.47 -0.06 0.00 1.00 0.00 0.00 33.01 31.34 1wis s GLN 118 CO 0.58 0.16 0.60 0.45 -2.12 0.00 0.00 175.29 174.96 1wis s SER 119 N -2.44 7.03 0.24 5.90 0.15 -1.26 -4.75 113.70 118.57 1wis s SER 119 Ca 0.52 1.22 0.10 0.00 0.70 0.00 0.00 55.95 58.50 1wis s SER 119 Cb -0.10 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1wis s SER 119 CO 0.20 0.16 -0.18 -0.83 1.20 0.00 0.00 173.24 173.80 1wis s GLY 120 N -0.55 1.67 -0.07 9.45 0.00 -1.26 -5.08 107.32 111.49 1wis s GLY 120 Ca 0.31 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 1wis s GLY 120 CO 0.18 -1.85 0.54 -0.56 0.00 0.00 0.00 173.10 171.41 1wis h PRO 121 N 2.49 -0.25 -4.41 2.90 0.13 -2.09 -3.50 132.00 127.27 1wis h PRO 121 Ca -0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1wis h PRO 121 Cb 1.24 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 1wis h PRO 121 CO 0.60 0.01 -1.06 0.43 -0.23 0.00 0.00 178.00 177.75 1wis n SER 122 N -4.94 -4.33 -3.42 1.44 7.64 -1.26 -5.09 113.62 103.66 1wis n SER 122 Ca -0.05 1.31 0.03 0.00 1.01 0.00 0.00 58.87 61.17 1wis n SER 122 Cb 0.19 -4.46 -0.05 0.00 -1.01 0.00 0.00 64.21 58.88 1wis n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wis s SER 123 N -0.51 -0.03 0.00 6.43 0.15 -1.26 -5.35 113.70 113.13 1wis s SER 123 Ca -0.12 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1wis s SER 123 Cb 0.01 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1wis s SER 123 CO 0.33 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.37