#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv3 s PRO 4 N 0.00 2.08 -0.04 5.31 0.05 -1.26 -4.85 135.00 136.29 2wv3 s PRO 4 Ca 0.00 0.81 0.04 0.00 0.05 0.00 0.00 61.00 61.90 2wv3 s PRO 4 Cb 0.00 -1.90 -0.00 0.00 0.05 0.00 0.00 34.50 32.64 2wv3 s PRO 4 CO 0.00 -1.67 -0.16 0.50 0.05 0.00 0.00 177.00 175.73 2wv3 s ARG 5 N -5.05 1.69 -0.07 4.56 3.52 -0.58 -4.96 118.95 118.06 2wv3 s ARG 5 Ca 0.61 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2wv3 s ARG 5 Cb -0.15 -1.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.78 2wv3 s ARG 5 CO 0.55 0.21 -0.09 0.42 -0.81 0.00 0.00 175.30 175.59 2wv3 s ILE 6 N 0.10 0.91 -0.02 4.11 1.01 -1.26 -0.72 121.20 125.32 2wv3 s ILE 6 Ca -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2wv3 s ILE 6 Cb -0.11 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2wv3 s ILE 6 CO 0.02 0.31 0.01 0.68 0.00 0.00 0.00 174.94 175.96 2wv3 s VAL 7 N 0.95 4.24 0.34 2.92 -7.23 -0.22 -4.93 120.40 116.47 2wv3 s VAL 7 Ca -0.10 -0.50 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 2wv3 s VAL 7 Cb -0.15 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 2wv3 s VAL 7 CO 0.00 0.43 -0.08 0.42 -0.31 0.00 0.00 175.10 175.56 2wv3 s THR 8 N -1.05 2.14 1.11 5.32 -4.23 -1.26 0.14 115.64 117.82 2wv3 s THR 8 Ca 0.18 -2.18 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 2wv3 s THR 8 Cb -0.11 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.34 2wv3 s THR 8 CO 0.09 -0.20 1.20 -0.94 -0.54 0.00 0.00 174.62 174.22 2wv3 s SER 9 N -3.59 1.74 0.58 3.99 1.04 0.17 -4.96 113.70 112.67 2wv3 s SER 9 Ca 0.32 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 2wv3 s SER 9 Cb 0.03 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.54 2wv3 s SER 9 CO 0.16 -3.60 0.89 -1.61 0.98 0.00 0.00 173.24 170.06 2wv3 s GLU 10 N -5.61 2.98 0.18 4.02 0.41 -1.26 -4.91 118.70 114.51 2wv3 s GLU 10 Ca 0.72 0.00 -0.32 0.00 -0.41 0.00 0.00 54.97 54.96 2wv3 s GLU 10 Cb -0.07 -2.29 -0.15 0.00 -1.78 0.00 0.00 34.13 29.84 2wv3 s GLU 10 CO 0.55 -0.65 1.17 -1.91 -0.49 0.00 0.00 175.26 173.93 2wv3 n GLU 11 N -2.55 1.23 -4.02 1.61 2.13 -1.26 -4.88 120.64 112.90 2wv3 n GLU 11 Ca 0.04 0.44 -0.34 0.00 0.66 0.00 0.00 57.16 57.96 2wv3 n GLU 11 Cb 0.57 -1.94 -0.10 0.00 0.27 0.00 0.00 31.44 30.24 2wv3 n GLU 11 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wv3 s VAL 12 N -0.21 4.74 -0.29 6.31 1.01 -0.36 -5.03 120.40 126.56 2wv3 s VAL 12 Ca 0.72 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 2wv3 s VAL 12 Cb -0.83 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2wv3 s VAL 12 CO 0.52 0.46 0.03 -0.63 0.00 0.00 0.00 175.10 175.49 2wv3 s ILE 13 N 0.38 3.48 -0.09 2.22 1.09 -1.26 -0.03 121.20 127.00 2wv3 s ILE 13 Ca 0.03 -0.97 -0.30 0.00 -1.10 0.00 0.00 60.65 58.31 2wv3 s ILE 13 Cb -0.12 -2.85 -0.02 0.00 -1.06 0.00 0.00 42.46 38.40 2wv3 s ILE 13 CO 0.00 0.04 1.15 -0.63 -0.10 0.00 0.00 174.94 175.40 2wv3 s ILE 14 N 1.40 4.41 -0.10 2.92 1.01 0.10 -4.92 121.20 126.02 2wv3 s ILE 14 Ca -0.00 1.71 0.08 0.00 0.00 0.00 0.00 60.65 62.44 2wv3 s ILE 14 Cb -0.18 -4.10 -0.12 0.00 0.01 0.00 0.00 42.46 38.07 2wv3 s ILE 14 CO 0.00 -0.02 0.01 0.54 0.00 0.00 0.00 174.94 175.47 2wv3 n ARG 15 N 5.37 2.02 -3.28 2.79 5.12 -1.26 -4.47 116.66 122.95 2wv3 n ARG 15 Ca 0.11 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.95 2wv3 n ARG 15 Cb 0.47 -1.26 0.01 0.00 -1.16 0.00 0.00 32.46 30.52 2wv3 n ARG 15 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wv3 n ASP 16 N -2.45 -1.58 -1.13 0.55 5.68 -1.26 -5.07 116.55 111.28 2wv3 n ASP 16 Ca -0.17 -2.34 0.11 0.00 -0.50 0.00 0.00 54.79 51.88 2wv3 n ASP 16 Cb 0.81 2.71 0.24 0.00 -1.14 0.00 0.00 41.12 43.74 2wv3 n ASP 16 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wv3 n SER 17 N -1.52 3.51 0.08 -1.12 3.41 -1.24 -4.52 113.62 112.22 2wv3 n SER 17 Ca -0.05 -1.97 -0.03 0.00 -0.26 0.00 0.00 58.87 56.56 2wv3 n SER 17 Cb 0.47 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2wv3 n SER 17 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wv3 h LEU 18 N 4.00 -0.19 -9.64 1.04 5.85 -1.92 -3.34 115.31 111.11 2wv3 h LEU 18 Ca 0.00 0.01 -0.51 0.00 0.84 0.00 0.00 57.88 58.22 2wv3 h LEU 18 Cb 0.93 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2wv3 h LEU 18 CO 0.00 -0.06 0.33 -0.76 -0.34 0.00 0.00 178.44 177.61 2wv3 s LEU 19 N -5.59 4.55 0.73 2.25 1.43 -1.26 -4.58 118.68 116.21 2wv3 s LEU 19 Ca -0.03 1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 54.74 2wv3 s LEU 19 Cb 0.00 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.71 2wv3 s LEU 19 CO 0.10 0.04 1.15 -2.84 0.23 0.00 0.00 176.35 175.02 2wv3 s PRO 20 N -0.49 2.29 -0.04 1.29 0.02 -1.26 -4.47 135.00 132.34 2wv3 s PRO 20 Ca 0.44 1.53 0.06 0.00 0.02 0.00 0.00 61.00 63.04 2wv3 s PRO 20 Cb -0.24 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 2wv3 s PRO 20 CO 0.30 -1.67 -0.23 0.14 -0.33 0.00 0.00 177.00 175.20 2wv3 s VAL 21 N -2.30 1.89 -0.14 3.83 -7.23 -0.63 -4.97 120.40 110.85 2wv3 s VAL 21 Ca 0.69 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2wv3 s VAL 21 Cb -0.24 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2wv3 s VAL 21 CO 0.46 0.53 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.74 2wv3 s THR 22 N -0.29 2.76 0.01 5.32 2.01 -1.26 0.16 115.64 124.35 2wv3 s THR 22 Ca 0.01 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2wv3 s THR 22 Cb -0.12 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2wv3 s THR 22 CO 0.02 0.52 0.28 -0.76 -0.69 0.00 0.00 174.62 173.99 2wv3 s LEU 23 N 0.64 4.37 -0.00 4.42 1.43 0.61 -4.92 118.68 125.22 2wv3 s LEU 23 Ca -0.08 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2wv3 s LEU 23 Cb -0.16 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 2wv3 s LEU 23 CO 0.03 0.25 -0.05 -1.10 0.23 0.00 0.00 176.35 175.70 2wv3 s GLN 24 N -1.73 0.43 -0.04 1.70 -0.21 -1.26 -0.56 119.66 117.98 2wv3 s GLN 24 Ca 0.28 -0.22 0.03 0.00 0.02 0.00 0.00 55.36 55.46 2wv3 s GLN 24 Cb -0.13 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.48 2wv3 s GLN 24 CO 0.16 0.11 -0.13 0.00 -2.12 0.00 0.00 175.29 173.31 2wv3 s ASN 26 N 0.30 3.30 -0.32 0.00 0.01 0.12 -0.12 114.94 118.23 2wv3 s ASN 26 Ca -0.07 -0.61 -0.29 0.00 -0.71 0.00 0.00 52.86 51.19 2wv3 s ASN 26 Cb -0.12 -1.51 -0.00 0.00 0.41 0.00 0.00 41.25 40.03 2wv3 s ASN 26 CO 0.02 0.01 1.40 -0.22 -1.51 0.00 0.00 177.10 176.79 2wv3 s LEU 27 N 1.26 3.78 0.00 0.60 2.96 0.10 -1.05 118.68 126.33 2wv3 s LEU 27 Ca 0.04 1.16 0.12 0.00 -0.22 0.00 0.00 54.13 55.23 2wv3 s LEU 27 Cb -0.13 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 2wv3 s LEU 27 CO -0.10 -1.23 0.55 0.35 -1.32 0.00 0.00 176.35 174.60 2wv3 n THR 28 N 6.54 0.00 -3.68 3.68 -2.24 0.10 -4.81 114.28 113.87 2wv3 n THR 28 Ca 0.16 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2wv3 n THR 28 Cb 0.47 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.63 2wv3 n THR 28 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wv3 s SER 29 N -2.09 -0.64 -0.10 3.42 0.01 -1.20 -4.93 113.70 108.16 2wv3 s SER 29 Ca 0.05 1.14 -0.20 0.00 1.31 0.00 0.00 55.95 58.25 2wv3 s SER 29 Cb 0.09 1.08 0.05 0.00 0.21 0.00 0.00 66.02 67.45 2wv3 s SER 29 CO 0.48 -0.20 0.48 -0.55 0.41 0.00 0.00 173.24 173.86 2wv3 s SER 30 N 0.95 -0.45 -0.04 2.44 0.15 -1.26 -1.53 113.70 113.96 2wv3 s SER 30 Ca -0.05 0.64 0.10 0.00 0.70 0.00 0.00 55.95 57.34 2wv3 s SER 30 Cb -0.05 0.68 0.29 0.00 -1.71 0.00 0.00 66.02 65.22 2wv3 s SER 30 CO -0.08 -0.37 1.23 -1.20 1.20 0.00 0.00 173.24 174.03 2wv3 n SER 31 N 1.86 2.90 -3.93 5.45 7.64 -1.26 -5.01 113.62 121.28 2wv3 n SER 31 Ca -0.17 -2.22 -0.10 0.00 1.01 0.00 0.00 58.87 57.39 2wv3 n SER 31 Cb 0.56 -0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.40 2wv3 n SER 31 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2wv3 s HIS 32 N -1.39 0.15 0.20 1.43 3.76 -1.26 -5.10 115.29 113.07 2wv3 s HIS 32 Ca 0.23 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 2wv3 s HIS 32 Cb 0.14 -0.12 -0.08 0.00 1.11 0.00 0.00 32.58 33.64 2wv3 s HIS 32 CO 0.11 -0.18 1.18 0.99 -0.85 0.00 0.00 174.74 175.99 2wv3 s THR 33 N -1.15 3.58 -0.13 1.30 2.01 -1.26 -4.95 115.64 115.04 2wv3 s THR 33 Ca -0.13 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 2wv3 s THR 33 Cb -0.08 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2wv3 s THR 33 CO -0.00 0.23 1.15 -0.22 -0.69 0.00 0.00 174.62 175.09 2wv3 s LEU 34 N -0.41 4.21 -0.09 4.42 2.96 -1.26 -1.98 118.68 126.52 2wv3 s LEU 34 Ca 0.51 1.63 -0.20 0.00 -0.22 0.00 0.00 54.13 55.86 2wv3 s LEU 34 Cb -0.32 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.66 2wv3 s LEU 34 CO 0.37 -0.62 0.67 -0.03 -1.32 0.00 0.00 176.35 175.42 2wv3 h MET 35 N 7.59 -0.08 -2.23 1.98 1.85 -1.16 -3.45 114.93 119.43 2wv3 h MET 35 Ca -0.28 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.95 2wv3 h MET 35 Cb 1.12 0.02 -0.14 0.00 0.43 0.00 0.00 31.60 33.03 2wv3 h MET 35 CO 0.92 0.47 0.52 1.52 -0.40 0.00 0.00 176.91 179.94 2wv3 s TYR 36 N -2.62 -0.29 0.04 1.39 1.13 -0.66 -4.79 117.35 111.54 2wv3 s TYR 36 Ca -0.12 0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.71 2wv3 s TYR 36 Cb -0.01 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.38 2wv3 s TYR 36 CO 0.46 -0.57 -0.11 -1.54 -2.51 0.00 0.00 175.55 171.28 2wv3 s SER 37 N -2.55 1.32 0.30 -0.18 1.04 0.28 0.10 113.70 114.01 2wv3 s SER 37 Ca 0.07 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.06 2wv3 s SER 37 Cb -0.01 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2wv3 s SER 37 CO -0.07 -0.04 0.30 -0.72 0.98 0.00 0.00 173.24 173.69 2wv3 s TYR 38 N -0.95 1.40 -0.06 5.02 -0.85 -0.08 -0.53 117.35 121.29 2wv3 s TYR 38 Ca -0.02 -1.47 0.01 0.00 -0.52 0.00 0.00 57.07 55.07 2wv3 s TYR 38 Cb -0.08 -0.49 -0.03 0.00 0.38 0.00 0.00 41.96 41.74 2wv3 s TYR 38 CO 0.01 -0.89 -0.06 -1.58 -1.52 0.00 0.00 175.55 171.51 2wv3 s TRP 39 N -3.53 2.95 0.15 -3.49 0.52 -1.26 0.06 118.94 114.34 2wv3 s TRP 39 Ca 0.37 0.03 0.10 0.00 0.02 0.00 0.00 56.10 56.63 2wv3 s TRP 39 Cb 0.03 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 2wv3 s TRP 39 CO 0.22 0.35 -0.22 0.95 0.02 0.00 0.00 176.95 178.26 2wv3 s THR 40 N -0.83 2.51 -0.10 2.01 -4.23 0.88 -0.56 115.64 115.31 2wv3 s THR 40 Ca 0.13 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2wv3 s THR 40 Cb -0.11 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.59 2wv3 s THR 40 CO 0.02 0.01 -0.09 -0.75 -0.54 0.00 0.00 174.62 173.27 2wv3 s LYS 41 N -2.35 1.61 -1.46 3.99 2.20 -0.15 -0.89 119.74 122.70 2wv3 s LYS 41 Ca 0.18 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.38 2wv3 s LYS 41 Cb -0.09 -1.57 0.06 0.00 -1.51 0.00 0.00 37.83 34.71 2wv3 s LYS 41 CO 0.09 -0.19 0.92 0.09 -0.36 0.00 0.00 175.35 175.89 2wv3 n ASN 42 N 4.65 -3.88 0.00 1.43 3.02 -0.39 -2.05 115.26 118.04 2wv3 n ASN 42 Ca -0.15 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2wv3 n ASN 42 Cb 0.50 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 2wv3 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wv3 n GLY 43 N -1.68 1.72 3.32 7.41 0.00 -1.26 -5.01 105.19 109.68 2wv3 n GLY 43 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2wv3 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wv3 s VAL 44 N -3.06 2.62 0.33 1.61 1.01 -0.87 -5.06 120.40 116.98 2wv3 s VAL 44 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 2wv3 s VAL 44 Cb 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 2wv3 s VAL 44 CO 0.00 0.55 1.45 1.21 0.00 0.00 0.00 175.10 178.31 2wv3 n GLU 45 N 3.33 2.47 -3.15 2.72 2.13 -1.26 -0.98 120.64 125.91 2wv3 n GLU 45 Ca -0.18 0.87 -0.35 0.00 0.66 0.00 0.00 57.16 58.16 2wv3 n GLU 45 Cb 0.53 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.61 2wv3 n GLU 45 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2wv3 s LEU 46 N -1.18 4.26 0.19 4.31 1.43 0.27 -4.84 118.68 123.13 2wv3 s LEU 46 Ca 0.58 1.33 -0.33 0.00 -1.03 0.00 0.00 54.13 54.68 2wv3 s LEU 46 Cb -0.52 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 41.87 2wv3 s LEU 46 CO 0.58 -0.03 1.57 0.41 0.23 0.00 0.00 176.35 179.11 2wv3 n THR 47 N 0.40 0.25 -3.72 5.49 -1.04 -1.26 -3.56 114.28 110.84 2wv3 n THR 47 Ca -0.01 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 2wv3 n THR 47 Cb 0.52 -1.62 0.03 0.00 -1.82 0.00 0.00 70.33 67.44 2wv3 n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wv3 n ALA 48 N 3.12 -1.89 0.17 2.41 0.00 -1.26 -4.88 120.51 118.19 2wv3 n ALA 48 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.52 2wv3 n ALA 48 Cb 0.31 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 2wv3 n ALA 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wv3 n THR 49 N -4.35 0.00 -1.66 0.00 -2.24 -1.23 -4.98 114.28 99.83 2wv3 n THR 49 Ca -0.24 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 2wv3 n THR 49 Cb 0.65 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 2wv3 n THR 49 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wv3 s ARG 50 N -1.79 2.58 0.08 -0.78 0.52 -1.26 -4.35 118.95 113.94 2wv3 s ARG 50 Ca 0.01 1.53 0.02 0.00 -0.52 0.00 0.00 55.73 56.77 2wv3 s ARG 50 Cb 0.04 -4.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.01 2wv3 s ARG 50 CO 0.23 -2.74 -0.06 0.21 0.02 0.00 0.00 175.30 172.95 2wv3 s LYS 51 N 7.33 0.72 -1.07 3.54 2.20 0.31 -4.94 119.74 127.83 2wv3 s LYS 51 Ca 0.94 -1.16 -0.04 0.00 -0.36 0.00 0.00 55.97 55.35 2wv3 s LYS 51 Cb -0.22 -0.18 0.30 0.00 -1.51 0.00 0.00 37.83 36.22 2wv3 s LYS 51 CO 0.29 -0.01 1.42 -1.71 -0.36 0.00 0.00 175.35 174.98 2wv3 n ASN 52 N 0.40 6.25 -3.98 1.43 4.05 -1.26 -0.56 115.26 121.59 2wv3 n ASN 52 Ca -0.15 -3.37 -0.17 0.00 0.45 0.00 0.00 54.58 51.33 2wv3 n ASN 52 Cb 0.59 -1.27 -0.15 0.00 1.23 0.00 0.00 39.78 40.19 2wv3 n ASN 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wv3 s ALA 53 N -2.61 0.59 0.17 5.20 0.00 -1.26 -5.02 121.76 118.83 2wv3 s ALA 53 Ca 0.31 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2wv3 s ALA 53 Cb 0.03 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.01 2wv3 s ALA 53 CO 0.08 0.13 1.40 0.66 0.00 0.00 0.00 175.76 178.04 2wv3 h SER 54 N 6.05 0.23 -3.21 0.00 4.64 -1.93 -3.40 113.55 115.94 2wv3 h SER 54 Ca -0.30 -0.18 -0.74 0.00 -0.47 0.00 0.00 61.79 60.10 2wv3 h SER 54 Cb 1.18 -0.07 -0.26 0.00 -0.31 0.00 0.00 62.40 62.95 2wv3 h SER 54 CO 0.50 0.97 -0.30 0.20 -0.87 0.00 0.00 176.83 177.32 2wv3 s ASN 55 N -6.91 5.99 0.02 4.97 -0.87 -1.26 0.01 114.94 116.89 2wv3 s ASN 55 Ca -0.03 -1.75 -0.07 0.00 -1.57 0.00 0.00 52.86 49.45 2wv3 s ASN 55 Cb 0.10 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 2wv3 s ASN 55 CO 0.82 -0.76 0.29 -0.04 -2.57 0.00 0.00 177.10 174.84 2wv3 s MET 56 N 1.52 3.60 0.03 -0.60 -1.94 0.82 -4.98 119.30 117.75 2wv3 s MET 56 Ca 0.04 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 2wv3 s MET 56 Cb -0.28 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 2wv3 s MET 56 CO 0.02 0.63 -0.13 -1.21 -0.01 0.00 0.00 175.02 174.32 2wv3 s GLU 57 N -1.84 0.89 -0.11 2.03 2.02 -1.26 -1.55 118.70 118.88 2wv3 s GLU 57 Ca 0.29 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2wv3 s GLU 57 Cb -0.13 -0.87 0.03 0.00 0.10 0.00 0.00 34.13 33.26 2wv3 s GLU 57 CO 0.17 0.22 -0.04 -0.47 0.02 0.00 0.00 175.26 175.16 2wv3 s TYR 58 N -0.75 1.20 -0.21 1.61 5.04 0.28 -4.96 117.35 119.57 2wv3 s TYR 58 Ca 0.01 -0.60 -0.13 0.00 -2.44 0.00 0.00 57.07 53.92 2wv3 s TYR 58 Cb -0.07 -1.08 -0.05 0.00 0.35 0.00 0.00 41.96 41.11 2wv3 s TYR 58 CO 0.01 -0.47 0.25 0.50 -1.34 0.00 0.00 175.55 174.49 2wv3 s ARG 59 N 1.80 4.16 -0.45 4.97 3.52 -1.26 -0.29 118.95 131.40 2wv3 s ARG 59 Ca 0.04 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 2wv3 s ARG 59 Cb -0.13 -3.49 0.08 0.00 -1.56 0.00 0.00 34.95 29.85 2wv3 s ARG 59 CO -0.07 0.11 0.34 0.42 -0.81 0.00 0.00 175.30 175.29 2wv3 s ILE 60 N 0.88 4.71 0.07 4.11 1.01 0.12 -4.98 121.20 127.12 2wv3 s ILE 60 Ca 0.13 -1.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 2wv3 s ILE 60 Cb -0.13 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2wv3 s ILE 60 CO 0.04 -0.58 0.85 0.20 0.00 0.00 0.00 174.94 175.46 2wv3 s ASN 61 N 2.45 7.33 -1.20 3.58 0.01 -1.26 -1.61 114.94 124.24 2wv3 s ASN 61 Ca 0.04 1.59 -0.06 0.00 -0.71 0.00 0.00 52.86 53.72 2wv3 s ASN 61 Cb -0.24 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 2wv3 s ASN 61 CO 0.04 -0.03 0.81 0.29 -1.51 0.00 0.00 177.10 176.69 2wv3 n LYS 62 N 2.87 -3.79 -1.71 -0.60 5.02 -1.26 -4.84 118.16 113.85 2wv3 n LYS 62 Ca -0.00 0.67 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 2wv3 n LYS 62 Cb 0.50 -5.21 -0.03 0.00 -0.02 0.00 0.00 35.03 30.28 2wv3 n LYS 62 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wv3 n PRO 63 N -4.00 2.53 -4.45 1.97 -0.02 -1.25 -4.85 135.00 124.93 2wv3 n PRO 63 Ca -0.21 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 2wv3 n PRO 63 Cb 0.65 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 2wv3 n PRO 63 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wv3 s ARG 64 N 0.31 1.85 0.30 -0.52 0.52 -1.26 -3.71 118.95 116.44 2wv3 s ARG 64 Ca 0.71 -2.11 0.05 0.00 -0.52 0.00 0.00 55.73 53.86 2wv3 s ARG 64 Cb -0.55 -0.37 0.68 0.00 0.52 0.00 0.00 34.95 35.23 2wv3 s ARG 64 CO 0.41 -0.50 1.81 0.00 0.02 0.00 0.00 175.30 177.04 2wv3 h ALA 65 N 1.92 1.65 -0.15 2.13 0.00 -1.92 0.12 119.26 123.00 2wv3 h ALA 65 Ca -0.33 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2wv3 h ALA 65 Cb 1.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2wv3 h ALA 65 CO 0.53 0.05 0.17 0.93 0.00 0.00 0.00 179.25 180.92 2wv3 h GLU 66 N 0.84 0.00 -0.00 0.00 3.07 -1.94 -1.06 114.58 115.49 2wv3 h GLU 66 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 2wv3 h GLU 66 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2wv3 h GLU 66 CO -0.31 0.00 -0.31 -0.25 -1.40 0.00 0.00 179.01 176.74 2wv3 n ASP 67 N -3.81 0.49 -4.84 1.42 8.00 0.42 -4.91 116.55 113.31 2wv3 n ASP 67 Ca 0.01 -0.27 -0.31 0.00 0.71 0.00 0.00 54.79 54.93 2wv3 n ASP 67 Cb 0.28 0.05 0.05 0.00 -0.02 0.00 0.00 41.12 41.48 2wv3 n ASP 67 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wv3 s SER 68 N -2.83 5.41 0.00 -2.24 1.04 -0.40 -4.95 113.70 109.73 2wv3 s SER 68 Ca 0.17 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.01 2wv3 s SER 68 Cb 0.18 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2wv3 s SER 68 CO 0.60 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2wv3 n GLY 69 N -2.39 0.11 3.55 7.32 0.00 0.65 -4.68 105.19 109.74 2wv3 n GLY 69 Ca 0.07 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2wv3 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wv3 s GLU 70 N -1.81 3.60 -0.05 1.61 2.12 -1.26 -0.94 118.70 121.96 2wv3 s GLU 70 Ca 0.00 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 2wv3 s GLU 70 Cb 0.00 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 2wv3 s GLU 70 CO 0.00 -0.46 0.13 0.71 -0.54 0.00 0.00 175.26 175.10 2wv3 s TYR 71 N 1.92 3.47 -0.04 5.30 1.51 0.48 -1.27 117.35 128.73 2wv3 s TYR 71 Ca 0.10 0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.58 2wv3 s TYR 71 Cb -0.17 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 2wv3 s TYR 71 CO 0.11 0.64 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.97 2wv3 s HIS 72 N -1.16 2.02 -0.27 2.71 3.76 -0.06 -0.53 115.29 121.75 2wv3 s HIS 72 Ca 0.21 -0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 54.46 2wv3 s HIS 72 Cb -0.12 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.19 2wv3 s HIS 72 CO 0.12 -0.16 0.24 0.00 -0.85 0.00 0.00 174.74 174.09 2wv3 s VAL 74 N 1.70 3.53 -0.21 0.00 1.01 0.11 -1.99 120.40 124.55 2wv3 s VAL 74 Ca 0.09 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2wv3 s VAL 74 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2wv3 s VAL 74 CO 0.10 0.57 -0.17 -0.31 0.00 0.00 0.00 175.10 175.29 2wv3 s TYR 75 N -0.50 2.94 -0.24 5.22 2.02 0.31 -0.90 117.35 126.20 2wv3 s TYR 75 Ca 0.07 -1.88 -0.11 0.00 -0.37 0.00 0.00 57.07 54.77 2wv3 s TYR 75 Cb -0.12 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 2wv3 s TYR 75 CO 0.02 -0.83 0.19 -1.58 -1.57 0.00 0.00 175.55 171.78 2wv3 s HIS 76 N 1.23 3.31 0.10 2.71 5.65 0.28 -0.48 115.29 128.09 2wv3 s HIS 76 Ca -0.00 0.25 0.04 0.00 0.25 0.00 0.00 55.06 55.60 2wv3 s HIS 76 Cb -0.16 -2.32 -0.04 0.00 -1.18 0.00 0.00 32.58 28.89 2wv3 s HIS 76 CO -0.10 0.02 0.08 -0.06 -0.65 0.00 0.00 174.74 174.03 2wv3 s PHE 77 N 1.21 3.15 -0.17 3.88 0.08 -1.26 -0.63 117.98 124.24 2wv3 s PHE 77 Ca 0.09 0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.88 2wv3 s PHE 77 Cb -0.14 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2wv3 s PHE 77 CO 0.06 0.52 1.19 0.08 -0.10 0.00 0.00 175.22 176.96 2wv3 s VAL 78 N -1.48 4.40 -0.16 -0.44 1.01 -0.84 -3.68 120.40 119.21 2wv3 s VAL 78 Ca 0.29 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.97 2wv3 s VAL 78 Cb -0.12 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2wv3 s VAL 78 CO 0.22 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.95 2wv3 n SER 79 N 6.30 -3.34 -3.69 3.32 2.88 -1.26 -4.50 113.62 113.33 2wv3 n SER 79 Ca 0.13 0.04 -0.11 0.00 -1.33 0.00 0.00 58.87 57.59 2wv3 n SER 79 Cb 0.45 -0.97 -0.06 0.00 -0.75 0.00 0.00 64.21 62.88 2wv3 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wv3 s ALA 80 N -2.00 -0.84 0.65 -1.46 0.00 -1.24 -5.13 121.76 111.73 2wv3 s ALA 80 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 2wv3 s ALA 80 Cb 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2wv3 s ALA 80 CO 0.00 -0.53 1.21 -2.14 0.00 0.00 0.00 175.76 174.31 2wv3 s PRO 81 N -3.13 2.64 0.86 0.00 0.02 -1.26 -4.09 135.00 130.04 2wv3 s PRO 81 Ca -0.01 1.80 -0.11 0.00 0.02 0.00 0.00 61.00 62.70 2wv3 s PRO 81 Cb 0.01 -1.89 0.12 0.00 0.02 0.00 0.00 34.50 32.76 2wv3 s PRO 81 CO -0.07 -1.46 1.17 0.15 -0.33 0.00 0.00 177.00 176.46 2wv3 s LYS 82 N -3.58 1.32 0.06 5.54 1.02 -1.26 -4.47 119.74 118.37 2wv3 s LYS 82 Ca 0.76 1.62 0.04 0.00 0.02 0.00 0.00 55.97 58.41 2wv3 s LYS 82 Cb -0.30 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2wv3 s LYS 82 CO 0.38 -2.42 -0.11 0.00 -0.92 0.00 0.00 175.35 172.28 2wv3 s ALA 83 N -2.46 0.89 0.10 5.17 0.00 0.37 -4.97 121.76 120.87 2wv3 s ALA 83 Ca 0.69 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 2wv3 s ALA 83 Cb -0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2wv3 s ALA 83 CO 0.55 0.08 0.16 0.54 0.00 0.00 0.00 175.76 177.09 2wv3 s ASN 84 N -1.67 0.19 0.17 0.00 2.20 -1.26 0.11 114.94 114.68 2wv3 s ASN 84 Ca -0.06 -0.82 0.02 0.00 -0.94 0.00 0.00 52.86 51.06 2wv3 s ASN 84 Cb -0.10 0.33 -0.05 0.00 -2.00 0.00 0.00 41.25 39.44 2wv3 s ASN 84 CO 0.01 -0.74 0.01 0.00 -2.94 0.00 0.00 177.10 173.44 2wv3 s ALA 85 N -3.91 1.35 -0.03 3.54 0.00 -0.84 -4.99 121.76 116.87 2wv3 s ALA 85 Ca 0.10 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.53 2wv3 s ALA 85 Cb 0.05 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2wv3 s ALA 85 CO -0.07 -0.33 -0.25 0.99 0.00 0.00 0.00 175.76 176.10 2wv3 s THR 86 N -3.68 1.99 -0.07 0.00 2.01 -1.26 -1.88 115.64 112.75 2wv3 s THR 86 Ca 0.25 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2wv3 s THR 86 Cb 0.06 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.92 2wv3 s THR 86 CO 0.04 0.56 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.79 2wv3 s ILE 87 N -0.47 1.12 -0.13 1.82 1.01 0.31 -5.00 121.20 119.86 2wv3 s ILE 87 Ca 0.06 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 2wv3 s ILE 87 Cb -0.11 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2wv3 s ILE 87 CO 0.00 0.36 0.44 -1.61 0.00 0.00 0.00 174.94 174.13 2wv3 s GLU 88 N 0.85 4.32 -0.24 2.79 2.02 -1.26 -0.38 118.70 126.80 2wv3 s GLU 88 Ca -0.11 0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.24 2wv3 s GLU 88 Cb -0.15 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 30.67 2wv3 s GLU 88 CO 0.01 0.17 -0.08 0.08 0.02 0.00 0.00 175.26 175.46 2wv3 s VAL 89 N 0.62 2.76 -0.00 2.63 1.01 -0.12 -1.22 120.40 126.08 2wv3 s VAL 89 Ca 0.24 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2wv3 s VAL 89 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2wv3 s VAL 89 CO 0.09 0.24 -0.05 -0.54 0.00 0.00 0.00 175.10 174.84 2wv3 s LYS 90 N 1.31 2.63 0.07 2.72 1.02 0.96 -0.25 119.74 128.20 2wv3 s LYS 90 Ca 0.00 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.26 2wv3 s LYS 90 Cb -0.16 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 2wv3 s LYS 90 CO -0.05 0.61 0.11 0.00 -0.92 0.00 0.00 175.35 175.10 2wv3 s ALA 91 N -1.01 0.02 0.61 5.17 0.00 -0.23 0.03 121.76 126.34 2wv3 s ALA 91 Ca 0.17 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 2wv3 s ALA 91 Cb -0.11 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2wv3 s ALA 91 CO 0.08 -0.45 1.15 0.00 0.00 0.00 0.00 175.76 176.54 2wv3 s ALA 92 N -3.79 2.54 0.70 0.00 0.00 -1.26 -4.23 121.76 115.72 2wv3 s ALA 92 Ca 0.05 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 2wv3 s ALA 92 Cb 0.05 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2wv3 s ALA 92 CO -0.10 -1.11 1.16 -2.14 0.00 0.00 0.00 175.76 173.56 2wv3 s PRO 93 N -3.58 2.44 -0.11 0.00 0.02 -1.26 -4.71 135.00 127.79 2wv3 s PRO 93 Ca 0.72 1.57 0.01 0.00 0.02 0.00 0.00 61.00 63.32 2wv3 s PRO 93 Cb -0.25 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.40 2wv3 s PRO 93 CO 0.34 -1.57 -0.14 0.34 -0.33 0.00 0.00 177.00 175.65 2wv3 s ASP 94 N -2.33 2.38 -0.33 2.53 2.15 -0.22 -4.41 116.67 116.44 2wv3 s ASP 94 Ca 0.70 -0.41 -0.24 0.00 0.43 0.00 0.00 52.55 53.03 2wv3 s ASP 94 Cb -0.25 -1.05 0.01 0.00 -0.30 0.00 0.00 42.92 41.33 2wv3 s ASP 94 CO 0.44 -0.01 0.83 -0.63 -0.17 0.00 0.00 175.17 175.63 2wv3 s ILE 95 N 1.13 4.73 -0.91 4.11 1.01 -1.26 -0.57 121.20 129.44 2wv3 s ILE 95 Ca -0.04 1.19 0.21 0.00 0.00 0.00 0.00 60.65 62.01 2wv3 s ILE 95 Cb -0.14 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 2wv3 s ILE 95 CO -0.03 -0.34 0.88 0.35 0.00 0.00 0.00 174.94 175.80 2wv3 n THR 96 N 5.67 0.00 -3.69 2.92 -2.24 0.12 -4.96 114.28 112.09 2wv3 n THR 96 Ca 0.05 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2wv3 n THR 96 Cb 0.48 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.50 2wv3 n THR 96 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wv3 s GLY 97 N -3.14 -0.37 0.13 3.38 0.00 -1.14 -4.96 107.32 101.22 2wv3 s GLY 97 Ca 0.07 1.25 -0.25 0.00 0.00 0.00 0.00 44.72 45.79 2wv3 s GLY 97 CO 0.87 1.04 1.07 -2.38 0.00 0.00 0.00 173.10 173.69 2wv3 s HIS 98 N -0.11 -0.03 -0.16 1.90 -0.00 -1.26 -0.97 115.29 114.66 2wv3 s HIS 98 Ca -0.03 -0.26 -0.16 0.00 -0.00 0.00 0.00 55.06 54.60 2wv3 s HIS 98 Cb -0.03 0.64 -0.04 0.00 -0.00 0.00 0.00 32.58 33.15 2wv3 s HIS 98 CO 0.02 -0.74 0.40 0.15 -0.00 0.00 0.00 174.74 174.58 2wv3 s LYS 99 N -2.66 4.26 0.28 -0.38 1.02 -1.25 -4.97 119.74 116.05 2wv3 s LYS 99 Ca 0.17 0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.45 2wv3 s LYS 99 Cb -0.01 -3.47 0.41 0.00 -0.52 0.00 0.00 37.83 34.25 2wv3 s LYS 99 CO 0.02 0.11 1.73 0.07 -0.92 0.00 0.00 175.35 176.36 2wv3 h ARG 100 N 6.93 0.49 -2.48 1.68 -0.00 -1.95 -3.38 114.38 115.68 2wv3 h ARG 100 Ca -0.39 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.98 59.39 2wv3 h ARG 100 Cb 1.17 -0.03 -0.16 0.00 -0.00 0.00 0.00 29.97 30.95 2wv3 h ARG 100 CO 0.74 0.70 0.25 -1.54 -0.00 0.00 0.00 179.97 180.12 2wv3 s SER 101 N -6.80 -0.57 -0.05 0.08 1.04 -1.26 -1.88 113.70 104.24 2wv3 s SER 101 Ca -0.07 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 2wv3 s SER 101 Cb 0.14 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.84 2wv3 s SER 101 CO 0.79 -0.77 0.11 -0.70 0.98 0.00 0.00 173.24 173.65 2wv3 s GLU 102 N -2.59 0.04 -0.25 4.02 2.12 0.66 -4.91 118.70 117.79 2wv3 s GLU 102 Ca -0.03 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.65 2wv3 s GLU 102 Cb -0.01 -0.23 0.04 0.00 0.26 0.00 0.00 34.13 34.20 2wv3 s GLU 102 CO -0.03 -0.19 -0.09 -0.80 -0.54 0.00 0.00 175.26 173.60 2wv3 s ASN 103 N 1.35 4.26 0.29 -1.70 -0.87 -1.26 -0.68 114.94 116.33 2wv3 s ASN 103 Ca -0.07 -1.09 0.04 0.00 -1.57 0.00 0.00 52.86 50.17 2wv3 s ASN 103 Cb -0.12 -1.60 -0.06 0.00 -0.02 0.00 0.00 41.25 39.45 2wv3 s ASN 103 CO -0.05 -0.15 0.01 -0.54 -2.57 0.00 0.00 177.10 173.80 2wv3 s LYS 104 N 1.22 1.55 0.24 -0.60 -0.14 -0.36 -5.00 119.74 116.66 2wv3 s LYS 104 Ca -0.03 -1.82 -0.02 0.00 -1.36 0.00 0.00 55.97 52.73 2wv3 s LYS 104 Cb -0.18 -0.88 -0.04 0.00 -1.68 0.00 0.00 37.83 35.05 2wv3 s LYS 104 CO -0.06 -0.11 0.45 -0.80 -0.76 0.00 0.00 175.35 174.08 2wv3 s ASN 105 N -3.43 6.40 0.23 2.83 0.01 -1.26 -0.67 114.94 119.05 2wv3 s ASN 105 Ca 0.33 0.49 -0.30 0.00 -0.71 0.00 0.00 52.86 52.67 2wv3 s ASN 105 Cb 0.07 -2.05 -0.15 0.00 0.41 0.00 0.00 41.25 39.53 2wv3 s ASN 105 CO 0.13 -0.11 0.97 1.21 -1.51 0.00 0.00 177.10 177.79 2wv3 n GLU 106 N -0.85 1.03 0.00 -0.60 4.07 -0.08 -1.45 120.64 122.76 2wv3 n GLU 106 Ca -0.04 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 2wv3 n GLU 106 Cb 0.54 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 2wv3 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wv3 n GLY 107 N 1.60 2.90 2.71 8.31 0.00 0.25 -4.83 105.19 116.13 2wv3 n GLY 107 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2wv3 n GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wv3 n GLN 108 N -1.98 -1.00 -4.44 1.61 6.02 -0.53 -3.92 117.38 113.14 2wv3 n GLN 108 Ca 0.00 -1.44 -0.34 0.00 -0.01 0.00 0.00 57.00 55.21 2wv3 n GLN 108 Cb 0.00 -0.98 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 2wv3 n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wv3 s ASP 109 N -4.39 4.88 0.00 1.08 1.01 -1.26 -1.00 116.67 116.99 2wv3 s ASP 109 Ca 0.53 -0.04 -0.13 0.00 0.71 0.00 0.00 52.55 53.62 2wv3 s ASP 109 Cb -0.02 -1.57 -0.06 0.00 1.01 0.00 0.00 42.92 42.28 2wv3 s ASP 109 CO 0.37 0.26 0.38 0.00 0.21 0.00 0.00 175.17 176.39 2wv3 s ALA 110 N -0.19 3.72 -0.12 5.23 0.00 0.24 -4.94 121.76 125.71 2wv3 s ALA 110 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 2wv3 s ALA 110 Cb -0.13 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.70 2wv3 s ALA 110 CO 0.02 0.51 -0.08 1.41 0.00 0.00 0.00 175.76 177.62 2wv3 s MET 111 N -1.23 1.65 0.11 0.00 1.75 -1.26 -1.00 119.30 119.32 2wv3 s MET 111 Ca 0.25 -0.32 0.08 0.00 -1.25 0.00 0.00 55.69 54.44 2wv3 s MET 111 Cb -0.16 -1.70 -0.04 0.00 2.84 0.00 0.00 34.83 35.77 2wv3 s MET 111 CO 0.13 -0.27 -0.19 -1.64 -0.65 0.00 0.00 175.02 172.40 2wv3 s MET 112 N 1.67 1.12 0.15 4.11 -1.94 0.07 -5.00 119.30 119.48 2wv3 s MET 112 Ca 0.05 -1.20 -0.11 0.00 -1.71 0.00 0.00 55.69 52.71 2wv3 s MET 112 Cb -0.13 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.43 2wv3 s MET 112 CO -0.09 0.29 0.32 1.52 -0.01 0.00 0.00 175.02 177.04 2wv3 s TYR 113 N -1.45 0.21 -0.03 -0.03 -0.85 -1.26 -0.44 117.35 113.49 2wv3 s TYR 113 Ca 0.08 -0.58 -0.08 0.00 -0.52 0.00 0.00 57.07 55.97 2wv3 s TYR 113 Cb -0.09 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.31 2wv3 s TYR 113 CO 0.04 -0.72 0.18 0.00 -1.52 0.00 0.00 175.55 173.54 2wv3 s LYS 115 N -0.81 1.71 0.29 0.00 1.02 -0.15 -1.31 119.74 120.50 2wv3 s LYS 115 Ca -0.09 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.18 2wv3 s LYS 115 Cb -0.05 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.52 2wv3 s LYS 115 CO 0.01 0.46 -0.12 -1.54 -0.92 0.00 0.00 175.35 173.24 2wv3 s SER 116 N -0.63 3.31 0.08 2.83 1.04 -0.46 0.11 113.70 119.98 2wv3 s SER 116 Ca 0.08 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.45 2wv3 s SER 116 Cb -0.08 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 2wv3 s SER 116 CO -0.00 -0.17 -0.18 0.68 0.98 0.00 0.00 173.24 174.55 2wv3 s VAL 117 N -2.73 1.43 0.00 5.02 -7.23 0.27 -4.81 120.40 112.35 2wv3 s VAL 117 Ca 0.30 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2wv3 s VAL 117 Cb 0.00 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2wv3 s VAL 117 CO 0.14 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 2wv3 n GLY 118 N 1.35 4.66 2.97 2.32 0.00 -1.26 -1.06 105.19 114.17 2wv3 n GLY 118 Ca -0.20 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 2wv3 n GLY 118 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wv3 s TYR 119 N -1.71 0.82 0.54 1.61 5.04 -1.26 -3.83 117.35 118.56 2wv3 s TYR 119 Ca 0.00 -0.20 -0.21 0.00 -2.44 0.00 0.00 57.07 54.22 2wv3 s TYR 119 Cb 0.00 -0.61 -0.05 0.00 0.35 0.00 0.00 41.96 41.65 2wv3 s TYR 119 CO 0.00 -0.10 1.24 -2.14 -1.34 0.00 0.00 175.55 173.21 2wv3 s PRO 120 N 0.25 3.26 0.38 4.97 0.02 -1.26 -1.07 135.00 141.56 2wv3 s PRO 120 Ca -0.04 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 62.66 2wv3 s PRO 120 Cb -0.08 -2.17 -0.11 0.00 0.02 0.00 0.00 34.50 32.15 2wv3 s PRO 120 CO 0.00 -1.00 1.08 -2.39 -0.33 0.00 0.00 177.00 174.37 2wv3 n HIS 121 N -1.08 1.48 -1.74 6.54 1.44 -1.25 -4.83 115.22 115.78 2wv3 n HIS 121 Ca 0.11 0.58 -0.31 0.00 -2.01 0.00 0.00 57.72 56.09 2wv3 n HIS 121 Cb 0.48 -2.28 0.04 0.00 0.12 0.00 0.00 29.99 28.35 2wv3 n HIS 121 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2wv3 s PRO 122 N -1.93 3.00 0.12 -1.40 0.04 -1.25 -4.83 135.00 128.75 2wv3 s PRO 122 Ca 0.61 0.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 2wv3 s PRO 122 Cb -0.58 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 2wv3 s PRO 122 CO 0.58 -0.99 0.41 -1.21 0.04 0.00 0.00 177.00 175.83 2wv3 s GLU 123 N -5.18 3.72 0.03 4.56 0.41 0.85 -4.86 118.70 118.23 2wv3 s GLU 123 Ca 0.57 0.11 0.05 0.00 -0.41 0.00 0.00 54.97 55.30 2wv3 s GLU 123 Cb -0.12 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 2wv3 s GLU 123 CO 0.54 0.50 -0.13 -1.58 -0.49 0.00 0.00 175.26 174.10 2wv3 s TRP 124 N -1.53 2.71 0.01 1.61 0.52 -1.26 -0.90 118.94 120.10 2wv3 s TRP 124 Ca 0.37 -0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.34 2wv3 s TRP 124 Cb -0.13 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2wv3 s TRP 124 CO 0.20 0.31 -0.03 -1.64 0.02 0.00 0.00 176.95 175.82 2wv3 s MET 125 N -1.48 0.24 -0.03 4.98 -1.94 -0.52 -4.98 119.30 115.57 2wv3 s MET 125 Ca 0.16 -0.25 -0.01 0.00 -1.71 0.00 0.00 55.69 53.88 2wv3 s MET 125 Cb -0.11 -0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.56 2wv3 s MET 125 CO 0.07 0.03 0.06 -1.58 -0.01 0.00 0.00 175.02 173.58 2wv3 s TRP 126 N -0.45 3.24 0.12 -0.03 0.52 -1.26 -0.43 118.94 120.65 2wv3 s TRP 126 Ca -0.03 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.30 2wv3 s TRP 126 Cb -0.03 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2wv3 s TRP 126 CO -0.00 0.53 -0.03 1.03 0.02 0.00 0.00 176.95 178.51 2wv3 s ARG 127 N -1.50 0.89 -0.03 4.98 1.81 -0.02 -4.11 118.95 120.97 2wv3 s ARG 127 Ca 0.20 -1.39 0.08 0.00 -1.72 0.00 0.00 55.73 52.90 2wv3 s ARG 127 Cb -0.12 -0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 2wv3 s ARG 127 CO 0.10 -0.10 -0.26 0.21 -0.68 0.00 0.00 175.30 174.58 2wv3 s LYS 128 N -3.90 2.17 -0.23 3.54 2.20 -0.18 -0.60 119.74 122.74 2wv3 s LYS 128 Ca 0.16 -0.92 -0.27 0.00 -0.36 0.00 0.00 55.97 54.58 2wv3 s LYS 128 Cb 0.06 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 2wv3 s LYS 128 CO -0.02 0.54 0.94 0.21 -0.36 0.00 0.00 175.35 176.66 2wv3 s LYS 129 N -0.56 4.23 -0.11 4.03 2.47 0.35 -0.45 119.74 129.69 2wv3 s LYS 129 Ca 0.08 1.17 -0.02 0.00 -1.56 0.00 0.00 55.97 55.64 2wv3 s LYS 129 Cb -0.10 -3.64 0.04 0.00 -1.46 0.00 0.00 37.83 32.67 2wv3 s LYS 129 CO -0.00 -0.57 0.03 -1.21 0.16 0.00 0.00 175.35 173.76 2wv3 s GLU 130 N 3.00 0.44 -0.95 4.03 0.41 -0.07 -4.55 118.70 121.01 2wv3 s GLU 130 Ca 0.40 -0.01 -0.03 0.00 -0.41 0.00 0.00 54.97 54.92 2wv3 s GLU 130 Cb -0.15 -1.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.89 2wv3 s GLU 130 CO 0.07 -0.45 0.34 0.09 -0.49 0.00 0.00 175.26 174.82 2wv3 n ASN 131 N 5.17 -4.29 0.00 -0.19 5.03 -1.26 -2.69 115.26 117.03 2wv3 n ASN 131 Ca -0.07 -0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.22 2wv3 n ASN 131 Cb 0.49 -3.19 0.00 0.00 -1.02 0.00 0.00 39.78 36.06 2wv3 n ASN 131 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wv3 n GLY 132 N -1.20 1.62 3.22 7.41 0.00 -1.26 -5.01 105.19 109.96 2wv3 n GLY 132 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2wv3 n GLY 132 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wv3 s VAL 133 N -3.38 2.00 -0.37 1.61 -7.23 -1.10 -5.10 120.40 106.84 2wv3 s VAL 133 Ca 0.00 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.88 2wv3 s VAL 133 Cb 0.00 -1.72 0.02 0.00 0.56 0.00 0.00 36.38 35.24 2wv3 s VAL 133 CO 0.00 0.55 1.12 -0.36 -0.31 0.00 0.00 175.10 176.10 2wv3 s PHE 134 N 0.21 2.99 0.39 2.82 0.08 -1.26 -0.89 117.98 122.32 2wv3 s PHE 134 Ca -0.14 1.01 0.08 0.00 0.12 0.00 0.00 56.93 58.00 2wv3 s PHE 134 Cb -0.17 -3.95 -0.06 0.00 -0.57 0.00 0.00 43.02 38.27 2wv3 s PHE 134 CO 0.07 -1.04 0.07 -1.83 -0.10 0.00 0.00 175.22 172.39 2wv3 s GLU 135 N 3.97 2.08 0.27 0.44 -1.05 0.40 -4.85 118.70 119.96 2wv3 s GLU 135 Ca 0.48 -1.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.10 2wv3 s GLU 135 Cb -0.11 -1.84 -0.09 0.00 -0.44 0.00 0.00 34.13 31.64 2wv3 s GLU 135 CO 0.21 -0.01 1.05 -1.83 0.95 0.00 0.00 175.26 175.63 2wv3 s GLU 136 N -3.78 4.68 -0.16 -4.83 -1.05 -1.26 -1.01 118.70 111.30 2wv3 s GLU 136 Ca 0.37 1.69 -0.29 0.00 -0.15 0.00 0.00 54.97 56.59 2wv3 s GLU 136 Cb 0.05 -3.18 -0.01 0.00 -0.44 0.00 0.00 34.13 30.55 2wv3 s GLU 136 CO 0.20 0.29 1.09 0.42 0.95 0.00 0.00 175.26 178.20 2wv3 s ILE 137 N -1.20 4.59 0.03 1.83 1.01 -1.26 -4.85 121.20 121.36 2wv3 s ILE 137 Ca 0.44 1.90 -0.28 0.00 0.00 0.00 0.00 60.65 62.72 2wv3 s ILE 137 Cb -0.29 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 2wv3 s ILE 137 CO 0.37 -0.09 0.88 -0.55 0.00 0.00 0.00 174.94 175.55 2wv3 s SER 138 N 1.33 7.30 -0.26 3.58 0.15 -1.26 -4.93 113.70 119.61 2wv3 s SER 138 Ca 0.49 1.56 0.11 0.00 0.70 0.00 0.00 55.95 58.81 2wv3 s SER 138 Cb -0.18 -2.52 0.52 0.00 -1.71 0.00 0.00 66.02 62.12 2wv3 s SER 138 CO 0.13 -0.12 1.47 -3.20 1.20 0.00 0.00 173.24 172.72 2wv3 n ASN 139 N 3.33 3.01 -0.23 5.45 5.15 -1.26 -4.63 115.26 126.09 2wv3 n ASN 139 Ca 0.02 -3.51 0.15 0.00 -0.60 0.00 0.00 54.58 50.65 2wv3 n ASN 139 Cb 0.50 -0.61 0.46 0.00 -0.53 0.00 0.00 39.78 39.60 2wv3 n ASN 139 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2wv3 h SER 140 N 1.25 0.49 1.31 1.20 0.87 -2.00 -0.05 113.55 116.62 2wv3 h SER 140 Ca 0.17 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2wv3 h SER 140 Cb 1.65 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2wv3 h SER 140 CO 0.37 0.23 0.00 0.77 -0.53 0.00 0.00 176.83 177.67 2wv3 h SER 141 N 0.51 0.00 -0.15 6.23 4.64 -2.02 -3.47 113.55 119.29 2wv3 h SER 141 Ca 0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.69 2wv3 h SER 141 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 2wv3 h SER 141 CO -0.17 0.00 -0.06 0.61 -0.87 0.00 0.00 176.83 176.34 2wv3 n GLY 142 N 0.47 0.61 0.88 -0.77 0.00 -0.03 -4.92 105.19 101.43 2wv3 n GLY 142 Ca 0.02 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.74 2wv3 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wv3 n ARG 143 N -2.40 2.15 -4.00 1.61 1.74 -1.26 -4.92 116.66 109.59 2wv3 n ARG 143 Ca -0.03 -1.77 -0.35 0.00 -0.77 0.00 0.00 57.85 54.93 2wv3 n ARG 143 Cb 0.17 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 2wv3 n ARG 143 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wv3 s PHE 144 N -2.07 3.10 -0.10 -1.55 0.08 -1.26 -1.31 117.98 114.86 2wv3 s PHE 144 Ca 0.27 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.02 2wv3 s PHE 144 Cb 0.20 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2wv3 s PHE 144 CO 0.34 -0.17 -0.16 -0.06 -0.10 0.00 0.00 175.22 175.07 2wv3 s PHE 145 N 1.00 1.99 -0.12 0.36 0.08 -0.06 -5.00 117.98 116.23 2wv3 s PHE 145 Ca 0.03 -0.89 0.03 0.00 0.12 0.00 0.00 56.93 56.21 2wv3 s PHE 145 Cb -0.14 -1.42 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2wv3 s PHE 145 CO 0.02 -0.44 -0.20 0.42 -0.10 0.00 0.00 175.22 174.92 2wv3 s ILE 146 N 0.85 2.33 -0.23 0.64 1.01 -1.26 -0.01 121.20 124.53 2wv3 s ILE 146 Ca -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2wv3 s ILE 146 Cb -0.15 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 2wv3 s ILE 146 CO 0.01 0.55 -0.01 -0.63 0.00 0.00 0.00 174.94 174.85 2wv3 s ILE 147 N 0.47 3.65 -0.23 2.92 1.01 -0.13 -4.98 121.20 123.91 2wv3 s ILE 147 Ca -0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 2wv3 s ILE 147 Cb -0.17 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.64 2wv3 s ILE 147 CO 0.06 0.40 -0.06 0.20 0.00 0.00 0.00 174.94 175.53 2wv3 s ASN 148 N 1.46 4.19 0.49 3.58 0.01 -1.26 -0.73 114.94 122.67 2wv3 s ASN 148 Ca 0.05 -0.61 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 2wv3 s ASN 148 Cb -0.14 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.86 2wv3 s ASN 148 CO -0.01 -0.06 0.24 0.29 -1.51 0.00 0.00 177.10 176.05 2wv3 n LYS 149 N 4.73 0.80 0.15 -0.60 5.02 0.11 -5.02 118.16 123.36 2wv3 n LYS 149 Ca -0.18 -3.20 -0.14 0.00 -2.02 0.00 0.00 58.31 52.77 2wv3 n LYS 149 Cb 0.49 0.53 -0.07 0.00 -0.02 0.00 0.00 35.03 35.97 2wv3 n LYS 149 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wv3 h GLU 150 N 0.00 -0.40 -0.18 1.97 5.08 -1.99 -3.27 114.58 115.78 2wv3 h GLU 150 Ca -0.34 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 2wv3 h GLU 150 Cb 1.15 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2wv3 h GLU 150 CO 0.54 -0.27 -0.04 0.09 -1.00 0.00 0.00 179.01 178.34 2wv3 n ASN 151 N -5.31 3.09 -3.66 1.42 3.02 -1.26 -3.90 115.26 108.65 2wv3 n ASN 151 Ca -0.08 -3.21 -0.14 0.00 -0.03 0.00 0.00 54.58 51.12 2wv3 n ASN 151 Cb 0.22 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.79 2wv3 n ASN 151 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wv3 s TYR 152 N -2.94 -0.68 0.07 3.10 5.04 -1.23 -1.35 117.35 119.36 2wv3 s TYR 152 Ca 0.39 1.65 0.03 0.00 -2.44 0.00 0.00 57.07 56.70 2wv3 s TYR 152 Cb 0.34 0.23 -0.03 0.00 0.35 0.00 0.00 41.96 42.85 2wv3 s TYR 152 CO 0.05 -0.33 -0.09 -0.08 -1.34 0.00 0.00 175.55 173.77 2wv3 s THR 153 N 0.34 0.71 -0.03 4.34 -1.32 -0.42 0.08 115.64 119.33 2wv3 s THR 153 Ca -0.00 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.08 2wv3 s THR 153 Cb -0.04 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 2wv3 s THR 153 CO 0.01 -0.50 0.07 -0.70 -2.21 0.00 0.00 174.62 171.28 2wv3 s GLU 154 N -2.30 0.01 -0.19 7.08 2.12 0.09 -1.38 118.70 124.12 2wv3 s GLU 154 Ca -0.02 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.52 2wv3 s GLU 154 Cb -0.05 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.11 2wv3 s GLU 154 CO -0.01 -0.16 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.33 2wv3 s LEU 155 N 1.06 2.97 -0.10 2.70 2.96 0.41 -0.96 118.68 127.72 2wv3 s LEU 155 Ca -0.09 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2wv3 s LEU 155 Cb -0.12 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 2wv3 s LEU 155 CO -0.04 0.05 -0.09 0.20 -1.32 0.00 0.00 176.35 175.15 2wv3 s ASN 156 N 1.07 4.44 -0.25 3.68 0.01 0.98 -0.75 114.94 124.13 2wv3 s ASN 156 Ca 0.01 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2wv3 s ASN 156 Cb -0.15 -1.38 0.06 0.00 0.41 0.00 0.00 41.25 40.19 2wv3 s ASN 156 CO -0.00 0.26 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.12 2wv3 s ILE 157 N -0.23 2.04 0.39 0.60 1.01 -0.17 -0.88 121.20 123.97 2wv3 s ILE 157 Ca 0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.14 2wv3 s ILE 157 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2wv3 s ILE 157 CO 0.03 0.01 0.65 0.68 0.00 0.00 0.00 174.94 176.31 2wv3 s VAL 158 N 1.17 5.00 -1.22 2.92 -7.23 -0.43 -0.60 120.40 120.01 2wv3 s VAL 158 Ca -0.07 -0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 59.94 2wv3 s VAL 158 Cb -0.19 -3.84 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 2wv3 s VAL 158 CO -0.06 -0.64 0.72 -3.20 -0.31 0.00 0.00 175.10 171.61 2wv3 n ASN 159 N -1.83 -3.28 -4.58 4.85 4.05 -0.99 -4.79 115.26 108.70 2wv3 n ASN 159 Ca -0.02 -0.91 -0.49 0.00 0.45 0.00 0.00 54.58 53.61 2wv3 n ASN 159 Cb 0.55 -3.79 -0.04 0.00 1.23 0.00 0.00 39.78 37.73 2wv3 n ASN 159 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2wv3 n LEU 160 N -4.13 1.51 -4.27 1.20 4.77 -0.17 -4.46 117.00 111.45 2wv3 n LEU 160 Ca -0.20 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.59 2wv3 n LEU 160 Cb 0.64 -1.21 -0.15 0.00 -2.33 0.00 0.00 43.42 40.37 2wv3 n LEU 160 CO 0.68 -1.31 -0.46 -1.10 -1.33 0.00 0.00 177.39 173.87 2wv3 s GLN 161 N -0.37 3.25 0.49 3.23 -1.52 -1.26 -0.58 119.66 122.89 2wv3 s GLN 161 Ca 0.73 -0.72 0.27 0.00 -1.95 0.00 0.00 55.36 53.69 2wv3 s GLN 161 Cb -0.86 -2.69 1.20 0.00 -0.22 0.00 0.00 33.01 30.44 2wv3 s GLN 161 CO 0.52 -0.02 1.95 0.97 -0.25 0.00 0.00 175.29 178.46 2wv3 h ILE 162 N 5.67 0.50 -0.01 1.08 2.10 -1.93 -0.94 117.51 123.98 2wv3 h ILE 162 Ca -0.35 -0.82 -0.11 0.00 1.08 0.00 0.00 64.86 64.67 2wv3 h ILE 162 Cb 1.18 1.56 0.01 0.00 -1.09 0.00 0.00 36.82 38.48 2wv3 h ILE 162 CO 0.58 0.16 -0.41 0.71 -1.08 0.00 0.00 178.15 178.11 2wv3 h THR 163 N 0.00 1.49 0.00 2.19 1.35 -1.98 -3.40 112.91 112.55 2wv3 h THR 163 Ca -0.00 -1.99 -0.23 0.00 -0.55 0.00 0.00 66.41 63.64 2wv3 h THR 163 Cb 0.55 2.66 -0.04 0.00 -1.73 0.00 0.00 68.15 69.59 2wv3 h THR 163 CO 0.02 0.56 -2.18 -1.84 -0.25 0.00 0.00 175.52 171.84 2wv3 n GLU 164 N -4.37 0.67 0.00 4.72 0.28 -1.15 -4.72 120.64 116.07 2wv3 n GLU 164 Ca -0.10 -0.05 -0.16 0.00 -0.16 0.00 0.00 57.16 56.69 2wv3 n GLU 164 Cb 0.58 -1.55 -0.14 0.00 1.43 0.00 0.00 31.44 31.76 2wv3 n GLU 164 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2wv3 h ASP 165 N 0.00 0.26 -3.76 -1.84 3.32 -1.38 -3.48 116.42 109.54 2wv3 h ASP 165 Ca -0.33 -0.56 -0.55 0.00 0.02 0.00 0.00 57.03 55.61 2wv3 h ASP 165 Cb 1.78 -0.09 0.18 0.00 0.22 0.00 0.00 39.33 41.42 2wv3 h ASP 165 CO 0.02 1.50 0.08 -2.65 -1.72 0.00 0.00 179.24 176.46 2wv3 n PRO 166 N -3.32 0.46 0.00 3.56 -0.02 -1.26 -4.90 135.00 129.52 2wv3 n PRO 166 Ca -0.24 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2wv3 n PRO 166 Cb 1.05 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2wv3 n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wv3 n GLY 167 N 1.10 0.96 3.52 -1.23 0.00 -0.86 -4.99 105.19 103.69 2wv3 n GLY 167 Ca 0.13 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2wv3 n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wv3 s GLU 168 N -1.89 3.66 -0.10 1.61 2.12 -1.26 -1.00 118.70 121.84 2wv3 s GLU 168 Ca 0.00 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 54.81 2wv3 s GLU 168 Cb 0.00 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 2wv3 s GLU 168 CO 0.00 -0.30 -0.04 0.71 -0.54 0.00 0.00 175.26 175.08 2wv3 s TYR 169 N 1.70 3.02 0.07 5.30 2.02 -0.05 -0.50 117.35 128.91 2wv3 s TYR 169 Ca 0.06 -0.02 0.07 0.00 -0.37 0.00 0.00 57.07 56.82 2wv3 s TYR 169 Cb -0.16 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2wv3 s TYR 169 CO 0.09 0.27 -0.20 -1.83 -1.57 0.00 0.00 175.55 172.31 2wv3 s GLU 170 N -0.52 1.23 -0.12 -0.62 -1.05 0.24 0.60 118.70 118.45 2wv3 s GLU 170 Ca 0.08 -1.03 -0.03 0.00 -0.15 0.00 0.00 54.97 53.84 2wv3 s GLU 170 Cb -0.12 -1.40 -0.03 0.00 -0.44 0.00 0.00 34.13 32.14 2wv3 s GLU 170 CO 0.02 0.34 0.01 0.00 0.95 0.00 0.00 175.26 176.58 2wv3 s ASN 172 N -0.42 3.21 -0.26 0.00 2.47 0.43 -2.67 114.94 117.70 2wv3 s ASN 172 Ca 0.08 -0.61 -0.09 0.00 0.42 0.00 0.00 52.86 52.66 2wv3 s ASN 172 Cb -0.12 -1.49 -0.04 0.00 -1.45 0.00 0.00 41.25 38.15 2wv3 s ASN 172 CO 0.02 0.03 0.13 0.00 -3.72 0.00 0.00 177.10 173.56 2wv3 s ALA 173 N 1.11 3.37 -0.04 1.71 0.00 0.03 -1.45 121.76 126.50 2wv3 s ALA 173 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.94 2wv3 s ALA 173 Cb -0.14 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 2wv3 s ALA 173 CO -0.08 -0.45 -0.16 0.99 0.00 0.00 0.00 175.76 176.05 2wv3 s THR 174 N 1.56 1.36 0.37 0.00 2.01 -0.08 -1.14 115.64 119.73 2wv3 s THR 174 Ca 0.06 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.42 2wv3 s THR 174 Cb -0.15 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2wv3 s THR 174 CO 0.07 0.39 0.14 -0.46 -0.69 0.00 0.00 174.62 174.07 2wv3 n ASN 175 N 3.11 1.07 0.10 3.53 0.23 -0.33 -0.10 115.26 122.86 2wv3 n ASN 175 Ca -0.18 -2.97 0.08 0.00 -0.53 0.00 0.00 54.58 50.98 2wv3 n ASN 175 Cb 0.53 0.98 0.40 0.00 -2.08 0.00 0.00 39.78 39.61 2wv3 n ASN 175 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2wv3 n SER 176 N -1.59 0.39 -0.06 0.53 3.41 -1.26 -2.56 113.62 112.49 2wv3 n SER 176 Ca -0.04 0.66 -0.14 0.00 -0.26 0.00 0.00 58.87 59.08 2wv3 n SER 176 Cb 0.56 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 2wv3 n SER 176 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2wv3 n ILE 177 N -2.00 1.58 -3.09 -1.33 2.08 -1.26 -5.09 119.36 110.25 2wv3 n ILE 177 Ca -0.00 -0.72 0.00 0.00 0.56 0.00 0.00 62.75 62.59 2wv3 n ILE 177 Cb 0.07 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 2wv3 n ILE 177 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wv3 n GLY 178 N 1.87 -0.66 3.16 7.39 0.00 -1.06 -4.72 105.19 111.17 2wv3 n GLY 178 Ca -0.31 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 2wv3 n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wv3 s SER 179 N -4.00 0.31 0.02 1.61 1.04 -1.26 -1.19 113.70 110.24 2wv3 s SER 179 Ca 0.00 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 55.43 2wv3 s SER 179 Cb 0.00 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2wv3 s SER 179 CO 0.00 -0.69 0.10 0.00 0.98 0.00 0.00 173.24 173.63 2wv3 s ALA 180 N -3.94 -0.15 -0.00 5.32 0.00 -0.29 -4.75 121.76 117.95 2wv3 s ALA 180 Ca 0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 2wv3 s ALA 180 Cb 0.07 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2wv3 s ALA 180 CO -0.07 -0.27 0.33 -1.54 0.00 0.00 0.00 175.76 174.22 2wv3 s SER 181 N -1.81 -0.21 0.16 0.00 1.04 -1.26 -0.79 113.70 110.83 2wv3 s SER 181 Ca -0.09 0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 2wv3 s SER 181 Cb -0.04 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2wv3 s SER 181 CO -0.02 -0.49 0.07 0.68 0.98 0.00 0.00 173.24 174.46 2wv3 s VAL 182 N -1.55 0.16 0.14 5.02 -7.23 -1.09 -5.00 120.40 110.85 2wv3 s VAL 182 Ca -0.12 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2wv3 s VAL 182 Cb -0.04 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2wv3 s VAL 182 CO 0.03 -0.32 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.48 2wv3 s SER 183 N -3.10 1.53 -0.04 4.85 1.04 -1.26 -1.76 113.70 114.95 2wv3 s SER 183 Ca 0.29 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.71 2wv3 s SER 183 Cb 0.07 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.24 2wv3 s SER 183 CO 0.05 -0.41 -0.11 -0.89 0.98 0.00 0.00 173.24 172.86 2wv3 s THR 184 N -3.46 0.97 -0.19 2.02 2.01 0.20 -4.67 115.64 112.52 2wv3 s THR 184 Ca 0.16 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 2wv3 s THR 184 Cb 0.04 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2wv3 s THR 184 CO -0.00 0.30 0.42 -0.69 -0.69 0.00 0.00 174.62 173.96 2wv3 s VAL 185 N 0.34 5.19 -0.24 3.82 1.01 -0.79 -0.88 120.40 128.86 2wv3 s VAL 185 Ca -0.07 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 2wv3 s VAL 185 Cb -0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2wv3 s VAL 185 CO 0.02 0.26 0.09 -0.22 0.00 0.00 0.00 175.10 175.24 2wv3 s LEU 186 N 1.23 3.66 -0.15 3.92 2.96 -0.17 -0.24 118.68 129.88 2wv3 s LEU 186 Ca 0.21 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2wv3 s LEU 186 Cb -0.15 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2wv3 s LEU 186 CO 0.08 0.02 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.42 2wv3 s ARG 187 N 1.32 3.42 -0.12 1.98 3.52 0.14 -2.03 118.95 127.19 2wv3 s ARG 187 Ca 0.05 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 54.98 2wv3 s ARG 187 Cb -0.15 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 2wv3 s ARG 187 CO 0.04 0.15 -0.03 0.08 -0.81 0.00 0.00 175.30 174.74 2wv3 s VAL 188 N 0.52 4.01 0.36 7.11 1.01 -1.26 -1.22 120.40 130.94 2wv3 s VAL 188 Ca -0.07 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2wv3 s VAL 188 Cb -0.15 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 2wv3 s VAL 188 CO 0.04 0.55 0.04 -0.13 0.00 0.00 0.00 175.10 175.60 2wv3 s ARG 189 N -0.27 1.78 0.00 2.72 0.52 0.16 -4.93 118.95 118.93 2wv3 s ARG 189 Ca 0.05 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.26 2wv3 s ARG 189 Cb -0.13 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.21 2wv3 s ARG 189 CO 0.02 -0.16 0.00 0.28 0.02 0.00 0.00 175.30 175.47