#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3p h TYR -19 N 0.00 -0.54 -0.75 7.33 3.20 -2.03 -1.04 116.97 123.15 1w3p h TYR -19 Ca 0.00 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.03 1w3p h TYR -19 Cb 0.00 0.18 -0.11 0.00 1.54 0.00 0.00 36.73 38.34 1w3p h TYR -19 CO 0.00 -0.33 0.17 -0.92 -1.64 0.00 0.00 178.16 175.44 1w3p h TYR -18 N -0.55 0.26 0.02 -3.82 3.20 -2.05 0.28 116.97 114.30 1w3p h TYR -18 Ca -0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1w3p h TYR -18 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1w3p h TYR -18 CO -0.07 -0.10 -0.01 1.25 -1.64 0.00 0.00 178.16 177.59 1w3p h HIS -17 N 0.25 -0.03 -0.55 -3.82 2.76 -1.97 -1.57 115.15 110.23 1w3p h HIS -17 Ca 0.42 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.70 1w3p h HIS -17 Cb 0.73 0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.61 1w3p h HIS -17 CO -0.27 0.46 0.01 1.25 -1.30 0.00 0.00 177.93 178.08 1w3p h HIS -16 N -0.52 -0.02 -0.64 5.26 -0.00 -0.63 -1.35 115.15 117.25 1w3p h HIS -16 Ca -0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1w3p h HIS -16 Cb 0.50 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.97 1w3p h HIS -16 CO 0.09 -0.12 0.22 1.25 -0.00 0.00 0.00 177.93 179.37 1w3p h HIS -15 N 0.13 1.00 -0.82 5.26 6.17 -0.45 -2.00 115.15 124.44 1w3p h HIS -15 Ca 0.28 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 1w3p h HIS -15 Cb 0.43 -0.29 -0.04 0.00 2.52 0.00 0.00 27.41 30.03 1w3p h HIS -15 CO -0.33 0.81 0.42 1.25 0.71 0.00 0.00 177.93 180.80 1w3p h HIS -14 N 0.91 1.15 -0.70 5.26 6.17 -0.90 -1.35 115.15 125.69 1w3p h HIS -14 Ca 0.21 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1w3p h HIS -14 Cb 0.26 -0.36 -0.03 0.00 2.52 0.00 0.00 27.41 29.80 1w3p h HIS -14 CO 0.02 0.82 0.42 1.25 0.71 0.00 0.00 177.93 181.15 1w3p h HIS -13 N 1.15 0.93 -0.08 5.26 2.76 -0.99 -3.12 115.15 121.06 1w3p h HIS -13 Ca 0.29 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1w3p h HIS -13 Cb 0.07 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1w3p h HIS -13 CO 0.01 0.63 -0.57 0.45 -1.30 0.00 0.00 177.93 177.15 1w3p h HIS -12 N 0.96 0.32 0.04 5.26 3.86 -1.02 -3.52 115.15 121.05 1w3p h HIS -12 Ca 0.25 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1w3p h HIS -12 Cb -0.03 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1w3p h HIS -12 CO -0.01 0.76 -0.02 -0.07 0.86 0.00 0.00 177.93 179.45 1w3p h LEU -11 N 0.19 -0.04 -8.61 2.43 3.38 -1.20 -3.51 115.31 107.95 1w3p h LEU -11 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1w3p h LEU -11 Cb 1.06 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1w3p h LEU -11 CO 0.09 0.27 -0.68 -0.94 0.09 0.00 0.00 178.44 177.27 1w3p s SER 2 N -4.56 1.30 0.00 -0.43 1.04 -1.26 -5.08 113.70 104.70 1w3p s SER 2 Ca -0.01 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1w3p s SER 2 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1w3p s SER 2 CO 0.02 -0.51 0.00 0.47 0.98 0.00 0.00 173.24 174.20 1w3p n ASP 3 N -0.19 0.00 -0.26 7.02 8.00 -1.26 -1.61 116.55 128.24 1w3p n ASP 3 Ca -0.08 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.43 1w3p n ASP 3 Cb 0.62 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.86 1w3p n ASP 3 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1w3p h PHE 4 N 0.00 0.76 -0.02 1.24 3.57 -2.10 -2.80 116.94 117.59 1w3p h PHE 4 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1w3p h PHE 4 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1w3p h PHE 4 CO 0.00 0.33 -0.10 0.66 -2.23 0.00 0.00 178.31 176.96 1w3p n TYR 5 N -4.77 0.00 -2.32 0.41 4.02 -0.63 -4.98 117.16 108.88 1w3p n TYR 5 Ca 0.11 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.76 1w3p n TYR 5 Cb 0.23 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.62 1w3p n TYR 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1w3p s ASP 6 N -2.12 4.81 0.39 7.72 1.01 -1.06 -5.00 116.67 122.42 1w3p s ASP 6 Ca 0.28 0.27 -0.28 0.00 0.71 0.00 0.00 52.55 53.53 1w3p s ASP 6 Cb 0.20 -0.93 -0.11 0.00 1.01 0.00 0.00 42.92 43.10 1w3p s ASP 6 CO 0.37 -1.57 1.49 -2.84 0.21 0.00 0.00 175.17 172.84 1w3p s PRO 7 N -5.15 4.05 0.20 8.23 0.02 -1.26 -5.03 135.00 136.05 1w3p s PRO 7 Ca 0.61 2.58 -0.07 0.00 0.02 0.00 0.00 61.00 64.14 1w3p s PRO 7 Cb -0.10 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 1w3p s PRO 7 CO 0.44 -0.59 0.29 -0.98 -0.33 0.00 0.00 177.00 175.83 1w3p s ARG 8 N -2.15 1.29 0.00 5.54 1.70 -1.26 -5.13 118.95 118.94 1w3p s ARG 8 Ca 0.54 -1.36 -0.18 0.00 -0.47 0.00 0.00 55.73 54.26 1w3p s ARG 8 Cb -0.47 0.37 -0.06 0.00 -0.57 0.00 0.00 34.95 34.22 1w3p s ARG 8 CO 0.63 -0.48 0.52 -1.21 -1.08 0.00 0.00 175.30 173.68 1w3p s GLU 9 N -4.05 4.18 -0.04 3.89 0.41 -1.26 -5.09 118.70 116.74 1w3p s GLU 9 Ca 0.26 0.60 0.02 0.00 -0.41 0.00 0.00 54.97 55.44 1w3p s GLU 9 Cb 0.03 -3.29 0.01 0.00 -1.78 0.00 0.00 34.13 29.10 1w3p s GLU 9 CO 0.07 0.51 -0.08 -0.98 -0.49 0.00 0.00 175.26 174.28 1w3p s ARG 10 N -0.58 1.10 -0.13 1.61 1.04 -1.26 -5.11 118.95 115.61 1w3p s ARG 10 Ca 0.28 -0.26 -0.29 0.00 -1.04 0.00 0.00 55.73 54.41 1w3p s ARG 10 Cb -0.18 -1.00 -0.01 0.00 -2.04 0.00 0.00 34.95 31.72 1w3p s ARG 10 CO 0.16 0.03 1.09 0.34 -0.04 0.00 0.00 175.30 176.87 1w3p s ASP 11 N 0.55 7.13 0.40 -2.89 -1.08 -1.26 -4.93 116.67 114.58 1w3p s ASP 11 Ca -0.09 1.58 0.29 0.00 -0.52 0.00 0.00 52.55 53.80 1w3p s ASP 11 Cb -0.12 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 39.99 1w3p s ASP 11 CO 0.01 -0.57 1.85 1.55 0.52 0.00 0.00 175.17 178.53 1w3p h PRO 12 N 7.41 0.00 0.00 4.34 0.13 -2.03 -2.72 132.00 139.13 1w3p h PRO 12 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1w3p h PRO 12 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1w3p h PRO 12 CO 0.91 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.55 1w3p n SER 13 N -2.63 0.49 -4.73 1.44 3.41 -1.26 -4.84 113.62 105.50 1w3p n SER 13 Ca 0.01 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 1w3p n SER 13 Cb 0.25 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1w3p n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w3p s VAL 14 N -3.14 4.25 -0.34 -3.33 1.01 -1.03 -4.98 120.40 112.83 1w3p s VAL 14 Ca 0.08 1.88 -0.41 0.00 0.00 0.00 0.00 61.98 63.53 1w3p s VAL 14 Cb 0.12 -4.20 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 1w3p s VAL 14 CO 0.45 0.30 1.33 -0.24 0.00 0.00 0.00 175.10 176.94 1w3p n SER 15 N 2.67 0.81 -1.06 3.32 2.88 -1.26 -4.89 113.62 116.09 1w3p n SER 15 Ca 0.03 1.07 0.08 0.00 -1.33 0.00 0.00 58.87 58.72 1w3p n SER 15 Cb 0.48 -0.81 0.24 0.00 -0.75 0.00 0.00 64.21 63.38 1w3p n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1w3p n ARG 16 N 3.04 2.48 -2.36 -1.46 5.12 -1.26 -4.96 116.66 117.26 1w3p n ARG 16 Ca 0.26 -1.97 -0.40 0.00 -1.93 0.00 0.00 57.85 53.80 1w3p n ARG 16 Cb -0.02 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.73 1w3p n ARG 16 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1w3p s ARG 17 N -1.44 4.55 0.91 5.56 0.52 -1.26 -5.00 118.95 122.77 1w3p s ARG 17 Ca 0.36 1.93 -0.11 0.00 -0.52 0.00 0.00 55.73 57.39 1w3p s ARG 17 Cb 0.20 -3.16 0.14 0.00 0.52 0.00 0.00 34.95 32.65 1w3p s ARG 17 CO 0.22 0.07 1.09 -1.25 0.02 0.00 0.00 175.30 175.46 1w3p s PRO 18 N -1.46 1.16 -1.54 3.54 0.04 -1.26 -4.14 135.00 131.34 1w3p s PRO 18 Ca 0.46 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1w3p s PRO 18 Cb -0.34 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1w3p s PRO 18 CO 0.44 -2.36 0.73 1.04 0.04 0.00 0.00 177.00 176.89 1w3p n GLN 19 N -3.99 -3.98 -1.38 4.56 6.02 -1.26 -1.76 117.38 115.59 1w3p n GLN 19 Ca 0.08 0.46 -0.14 0.00 -0.01 0.00 0.00 57.00 57.39 1w3p n GLN 19 Cb 0.54 -5.05 -0.06 0.00 1.02 0.00 0.00 30.24 26.69 1w3p n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1w3p n ASN 20 N -2.83 -5.19 -4.76 1.08 3.02 -1.26 -4.89 115.26 100.42 1w3p n ASN 20 Ca -0.07 0.34 -0.34 0.00 -0.03 0.00 0.00 54.58 54.48 1w3p n ASN 20 Cb 0.57 -4.16 0.04 0.00 -0.61 0.00 0.00 39.78 35.62 1w3p n ASN 20 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1w3p s ARG 21 N -3.12 2.92 0.30 3.52 0.52 -0.72 -1.35 118.95 121.03 1w3p s ARG 21 Ca 0.00 1.57 0.06 0.00 -0.52 0.00 0.00 55.73 56.84 1w3p s ARG 21 Cb 0.00 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.46 1w3p s ARG 21 CO 0.00 -1.18 -0.02 -0.65 0.02 0.00 0.00 175.30 173.47 1w3p s GLN 22 N -3.70 1.61 0.79 3.54 -1.52 -0.59 -4.65 119.66 115.14 1w3p s GLN 22 Ca 0.71 -1.85 -0.11 0.00 -1.95 0.00 0.00 55.36 52.17 1w3p s GLN 22 Cb -0.24 -1.11 0.06 0.00 -0.22 0.00 0.00 33.01 31.50 1w3p s GLN 22 CO 0.36 -0.03 1.09 -1.54 -0.25 0.00 0.00 175.29 174.91 1w3p s SER 23 N -3.48 4.49 0.29 5.90 1.04 -1.26 -4.60 113.70 116.07 1w3p s SER 23 Ca 0.32 1.52 0.01 0.00 0.48 0.00 0.00 55.95 58.28 1w3p s SER 23 Cb 0.06 -2.27 0.43 0.00 0.10 0.00 0.00 66.02 64.34 1w3p s SER 23 CO 0.13 -2.00 1.79 0.44 0.98 0.00 0.00 173.24 174.58 1w3p h ASP 24 N -1.11 0.63 -0.70 7.02 3.32 -2.00 -1.73 116.42 121.85 1w3p h ASP 24 Ca -0.46 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.38 1w3p h ASP 24 Cb 1.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1w3p h ASP 24 CO 0.56 0.72 0.21 -0.08 -1.72 0.00 0.00 179.24 178.93 1w3p h GLU 25 N 0.62 1.11 -0.55 3.56 4.57 -1.99 -1.24 114.58 120.65 1w3p h GLU 25 Ca 0.12 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 1w3p h GLU 25 Cb 0.44 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1w3p h GLU 25 CO 0.02 0.95 -0.04 2.35 -1.18 0.00 0.00 179.01 181.11 1w3p h TRP 26 N 1.06 1.10 -0.08 0.92 7.01 -1.81 -2.01 115.95 122.14 1w3p h TRP 26 Ca 0.23 -0.20 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1w3p h TRP 26 Cb 0.32 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1w3p h TRP 26 CO 0.02 1.00 0.03 0.82 -2.79 0.00 0.00 178.44 177.52 1w3p h ILE 27 N 0.88 0.98 -0.68 2.65 2.04 -1.16 -1.63 117.51 120.59 1w3p h ILE 27 Ca 0.15 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1w3p h ILE 27 Cb 0.59 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1w3p h ILE 27 CO 0.04 0.01 0.35 -0.09 0.00 0.00 0.00 178.15 178.46 1w3p h ARG 28 N 0.07 0.60 -0.07 2.37 2.43 -1.06 -1.43 114.38 117.29 1w3p h ARG 28 Ca 0.03 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1w3p h ARG 28 Cb 0.02 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1w3p h ARG 28 CO -0.03 0.40 -0.74 0.93 -1.51 0.00 0.00 179.97 179.01 1w3p h GLU 29 N 0.62 0.40 -0.68 0.20 4.39 -1.21 -1.32 114.58 116.98 1w3p h GLU 29 Ca 0.32 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1w3p h GLU 29 Cb 0.29 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1w3p h GLU 29 CO -0.23 0.98 0.11 1.25 -1.16 0.00 0.00 179.01 179.95 1w3p h LEU 30 N 0.27 1.08 -0.95 1.33 6.46 -0.93 -2.08 115.31 120.49 1w3p h LEU 30 Ca -0.03 -0.26 -0.08 0.00 -0.12 0.00 0.00 57.88 57.39 1w3p h LEU 30 Cb 1.32 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 1w3p h LEU 30 CO 0.13 1.06 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.85 1w3p h LEU 31 N 1.05 0.64 -1.14 2.25 3.38 -1.10 -2.37 115.31 118.03 1w3p h LEU 31 Ca 0.21 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1w3p h LEU 31 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1w3p h LEU 31 CO 0.01 0.77 -0.37 -0.07 0.09 0.00 0.00 178.44 178.88 1w3p h LEU 32 N 0.61 0.11 -0.03 1.67 3.38 -0.98 -3.21 115.31 116.86 1w3p h LEU 32 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1w3p h LEU 32 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1w3p h LEU 32 CO 0.03 0.48 -0.76 -2.11 0.09 0.00 0.00 178.44 176.17 1w3p n ARG 33 N -4.08 0.04 -2.23 1.13 1.85 -0.81 -4.93 116.66 107.64 1w3p n ARG 33 Ca -0.02 -0.03 -0.29 0.00 -1.00 0.00 0.00 57.85 56.51 1w3p n ARG 33 Cb 0.42 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.35 1w3p n ARG 33 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1w3p s GLY 34 N -2.98 1.59 0.00 2.89 0.00 -0.92 -5.00 107.32 102.90 1w3p s GLY 34 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1w3p s GLY 34 CO 0.78 -0.13 0.00 -1.30 0.00 0.00 0.00 173.10 172.45 1w3p n THR 35 N -2.59 0.00 -5.22 0.90 -2.24 -1.26 -4.93 114.28 98.94 1w3p n THR 35 Ca 0.04 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1w3p n THR 35 Cb 0.55 0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 69.16 1w3p n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1w3p s ILE 36 N -0.72 2.00 0.21 2.28 -1.09 -1.26 -1.76 121.20 120.86 1w3p s ILE 36 Ca 0.00 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.42 1w3p s ILE 36 Cb 0.00 -1.69 -0.05 0.00 -1.58 0.00 0.00 42.46 39.14 1w3p s ILE 36 CO 0.00 0.55 -0.00 0.00 -1.23 0.00 0.00 174.94 174.26 1w3p s ALA 37 N -0.09 1.67 -0.12 9.38 0.00 -0.02 -4.64 121.76 127.94 1w3p s ALA 37 Ca -0.05 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.17 1w3p s ALA 37 Cb -0.14 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1w3p s ALA 37 CO 0.04 -0.27 -0.01 1.03 0.00 0.00 0.00 175.76 176.55 1w3p s ARG 38 N -3.88 3.32 -0.10 0.00 3.00 -0.46 -0.31 118.95 120.53 1w3p s ARG 38 Ca 0.27 -0.46 0.02 0.00 0.00 0.00 0.00 55.73 55.56 1w3p s ARG 38 Cb 0.06 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 32.13 1w3p s ARG 38 CO 0.07 0.48 -0.15 0.08 0.00 0.00 0.00 175.30 175.78 1w3p s VAL 39 N -0.28 2.92 -0.14 3.52 1.01 -0.47 -0.37 120.40 126.59 1w3p s VAL 39 Ca 0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1w3p s VAL 39 Cb -0.12 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1w3p s VAL 39 CO 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.57 1w3p s ALA 40 N -0.06 2.71 0.05 5.51 0.00 0.43 -1.22 121.76 129.18 1w3p s ALA 40 Ca -0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1w3p s ALA 40 Cb -0.14 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1w3p s ALA 40 CO 0.04 0.20 -0.00 0.95 0.00 0.00 0.00 175.76 176.95 1w3p s THR 41 N 0.41 0.21 -0.15 0.00 -4.23 -1.20 -2.02 115.64 108.66 1w3p s THR 41 Ca -0.09 -1.70 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 1w3p s THR 41 Cb -0.15 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 1w3p s THR 41 CO 0.05 -0.94 0.20 -0.76 -0.54 0.00 0.00 174.62 172.63 1w3p s LEU 42 N -2.85 4.30 0.11 4.79 1.43 -1.26 -1.47 118.68 123.73 1w3p s LEU 42 Ca 0.06 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1w3p s LEU 42 Cb 0.07 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1w3p s LEU 42 CO -0.10 0.24 -0.20 0.26 0.23 0.00 0.00 176.35 176.79 1w3p s TRP 43 N -0.17 1.74 -0.05 0.29 0.52 -0.25 -1.62 118.94 119.40 1w3p s TRP 43 Ca 0.14 -0.44 -0.28 0.00 0.02 0.00 0.00 56.10 55.55 1w3p s TRP 43 Cb -0.12 -0.94 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 1w3p s TRP 43 CO 0.03 0.22 0.89 -1.14 0.02 0.00 0.00 176.95 176.97 1w3p s GLN 44 N -2.09 4.48 0.56 4.98 0.74 0.70 -0.59 119.66 128.44 1w3p s GLN 44 Ca 0.08 1.22 0.08 0.00 0.05 0.00 0.00 55.36 56.79 1w3p s GLN 44 Cb -0.09 -3.48 0.10 0.00 1.10 0.00 0.00 33.01 30.63 1w3p s GLN 44 CO 0.05 -0.09 0.78 0.41 -0.55 0.00 0.00 175.29 175.88 1w3p n GLY 45 N 3.05 1.84 0.37 2.59 0.00 -0.25 -4.61 105.19 108.17 1w3p n GLY 45 Ca 0.04 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.87 1w3p n GLY 45 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1w3p h GLU 46 N 0.00 1.16 -0.12 1.61 4.81 -1.96 -0.18 114.58 119.90 1w3p h GLU 46 Ca -0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1w3p h GLU 46 Cb 1.18 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1w3p h GLU 46 CO 0.36 0.77 0.00 -0.40 -0.73 0.00 0.00 179.01 179.01 1w3p n ASP 47 N -4.43 0.71 0.00 1.04 5.75 -1.26 -4.88 116.55 113.48 1w3p n ASP 47 Ca 0.12 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1w3p n ASP 47 Cb 0.09 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1w3p n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w3p n GLY 48 N 0.78 2.42 3.80 6.12 0.00 -0.08 -5.03 105.19 113.20 1w3p n GLY 48 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1w3p n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w3p s ALA 49 N -2.30 3.39 0.39 4.61 0.00 -1.26 -4.59 121.76 122.01 1w3p s ALA 49 Ca 0.00 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.00 1w3p s ALA 49 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 1w3p s ALA 49 CO 0.00 0.29 1.14 0.00 0.00 0.00 0.00 175.76 177.19 1w3p s ALA 50 N -1.42 3.15 0.01 0.00 0.00 -1.26 -1.09 121.76 121.15 1w3p s ALA 50 Ca 0.42 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 1w3p s ALA 50 Cb -0.19 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1w3p s ALA 50 CO 0.23 -0.46 0.21 -0.59 0.00 0.00 0.00 175.76 175.16 1w3p s PHE 51 N -1.45 -0.03 0.10 0.00 -0.12 0.25 -4.90 117.98 111.83 1w3p s PHE 51 Ca 0.57 -0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 57.19 1w3p s PHE 51 Cb -0.29 0.01 -0.07 0.00 -0.63 0.00 0.00 43.02 42.04 1w3p s PHE 51 CO 0.37 -0.37 0.62 -1.25 -0.05 0.00 0.00 175.22 174.54 1w3p s PRO 52 N -1.76 4.28 0.30 1.99 0.04 -1.26 -1.09 135.00 137.49 1w3p s PRO 52 Ca -0.11 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 1w3p s PRO 52 Cb -0.05 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1w3p s PRO 52 CO 0.01 0.61 0.57 -0.06 0.04 0.00 0.00 177.00 178.17 1w3p s PHE 53 N -1.15 3.47 -0.15 0.56 0.08 -0.54 -4.95 117.98 115.30 1w3p s PHE 53 Ca 0.32 0.70 0.00 0.00 0.12 0.00 0.00 56.93 58.06 1w3p s PHE 53 Cb -0.20 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1w3p s PHE 53 CO 0.21 0.15 -0.11 0.42 -0.10 0.00 0.00 175.22 175.79 1w3p s ILE 54 N -2.09 1.40 -0.18 0.64 1.01 -1.26 -3.23 121.20 117.48 1w3p s ILE 54 Ca 0.45 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1w3p s ILE 54 Cb -0.11 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1w3p s ILE 54 CO 0.29 0.34 -0.19 -0.89 0.00 0.00 0.00 174.94 174.50 1w3p s THR 55 N 1.54 2.17 0.17 2.92 2.01 -0.36 -4.94 115.64 119.15 1w3p s THR 55 Ca 0.03 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 1w3p s THR 55 Cb -0.14 -1.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.37 1w3p s THR 55 CO -0.09 0.52 1.18 -2.16 -0.69 0.00 0.00 174.62 173.37 1w3p s PRO 56 N 1.30 4.51 0.13 4.92 0.04 -1.26 -1.37 135.00 143.27 1w3p s PRO 56 Ca 0.05 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 1w3p s PRO 56 Cb -0.13 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.22 1w3p s PRO 56 CO -0.12 -0.07 0.75 -0.48 0.04 0.00 0.00 177.00 177.12 1w3p s LEU 57 N -0.11 -0.41 0.40 -3.56 0.05 0.57 -4.99 118.68 110.64 1w3p s LEU 57 Ca 0.53 -0.15 -0.25 0.00 0.05 0.00 0.00 54.13 54.31 1w3p s LEU 57 Cb -0.32 2.39 -0.09 0.00 -2.05 0.00 0.00 46.19 46.12 1w3p s LEU 57 CO 0.35 -0.91 1.11 0.00 -0.55 0.00 0.00 176.35 176.35 1w3p s ALA 58 N -3.52 3.12 0.19 1.48 0.00 -1.26 -0.84 121.76 120.92 1w3p s ALA 58 Ca 0.05 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 1w3p s ALA 58 Cb -0.02 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1w3p s ALA 58 CO -0.07 -0.38 0.25 1.52 0.00 0.00 0.00 175.76 177.08 1w3p s TYR 59 N -1.52 0.67 -0.04 0.00 -0.85 -0.72 -4.50 117.35 110.40 1w3p s TYR 59 Ca 0.57 -1.00 -0.02 0.00 -0.52 0.00 0.00 57.07 56.10 1w3p s TYR 59 Cb -0.27 -0.21 0.03 0.00 0.38 0.00 0.00 41.96 41.89 1w3p s TYR 59 CO 0.33 -0.73 0.09 0.00 -1.52 0.00 0.00 175.55 173.73 1w3p s ALA 60 N -4.04 -0.13 -0.09 9.51 0.00 -0.40 -4.70 121.76 121.90 1w3p s ALA 60 Ca 0.25 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 1w3p s ALA 60 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1w3p s ALA 60 CO 0.06 -0.12 0.86 -0.47 0.00 0.00 0.00 175.76 176.09 1w3p s TYR 61 N 0.91 3.53 -0.55 0.00 5.04 -1.26 -0.70 117.35 124.32 1w3p s TYR 61 Ca -0.07 1.41 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 1w3p s TYR 61 Cb -0.10 -3.01 0.14 0.00 0.35 0.00 0.00 41.96 39.35 1w3p s TYR 61 CO -0.04 -0.10 0.37 1.03 -1.34 0.00 0.00 175.55 175.48 1w3p s ARG 62 N 1.50 2.42 0.21 4.97 0.52 -0.18 -4.96 118.95 123.43 1w3p s ARG 62 Ca 0.43 -2.23 -0.10 0.00 -0.52 0.00 0.00 55.73 53.31 1w3p s ARG 62 Cb -0.18 -3.73 0.19 0.00 0.52 0.00 0.00 34.95 31.74 1w3p s ARG 62 CO 0.18 -1.15 1.87 -1.35 0.02 0.00 0.00 175.30 174.87 1w3p h PRO 63 N 7.52 0.93 -0.38 3.54 0.10 -1.96 -1.58 132.00 140.17 1w3p h PRO 63 Ca -0.07 -0.06 -0.03 0.00 0.10 0.00 0.00 66.00 65.94 1w3p h PRO 63 Cb 1.00 -0.21 -0.02 0.00 0.10 0.00 0.00 31.00 31.87 1w3p h PRO 63 CO 0.72 0.61 0.10 1.49 0.10 0.00 0.00 178.00 181.03 1w3p h GLU 64 N 0.96 0.60 0.00 1.05 4.81 -1.95 -2.37 114.58 117.68 1w3p h GLU 64 Ca 0.29 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1w3p h GLU 64 Cb -0.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1w3p h GLU 64 CO -0.09 0.63 0.00 1.96 -0.73 0.00 0.00 179.01 180.78 1w3p h GLN 65 N 0.47 0.00 -2.30 1.92 7.50 -1.98 -3.47 115.11 117.25 1w3p h GLN 65 Ca 0.12 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.13 1w3p h GLN 65 Cb 0.29 0.00 0.04 0.00 0.05 0.00 0.00 27.48 27.85 1w3p h GLN 65 CO -0.00 0.00 -0.23 0.41 -1.50 0.00 0.00 178.83 177.51 1w3p n GLY 66 N 0.18 0.34 3.31 3.46 0.00 -0.61 -4.95 105.19 106.92 1w3p n GLY 66 Ca 0.01 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1w3p n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1w3p s ASP 67 N -3.00 0.99 -0.01 1.61 1.47 -1.12 -1.66 116.67 114.96 1w3p s ASP 67 Ca 0.16 -1.56 0.08 0.00 1.18 0.00 0.00 52.55 52.41 1w3p s ASP 67 Cb -0.07 0.52 -0.02 0.00 -0.34 0.00 0.00 42.92 43.02 1w3p s ASP 67 CO 0.19 -1.04 -0.24 -0.76 0.68 0.00 0.00 175.17 174.00 1w3p s LEU 68 N -3.27 2.07 0.03 2.11 1.02 -0.23 -1.01 118.68 119.40 1w3p s LEU 68 Ca 0.37 -0.46 0.06 0.00 0.02 0.00 0.00 54.13 54.13 1w3p s LEU 68 Cb 0.03 -1.22 -0.03 0.00 0.02 0.00 0.00 46.19 44.99 1w3p s LEU 68 CO 0.21 0.28 -0.16 0.68 0.02 0.00 0.00 176.35 177.37 1w3p s VAL 69 N -0.61 2.91 0.21 -1.59 -7.23 0.12 -0.56 120.40 113.65 1w3p s VAL 69 Ca 0.09 -1.11 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 1w3p s VAL 69 Cb -0.09 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.65 1w3p s VAL 69 CO -0.00 0.36 0.55 -0.72 -0.31 0.00 0.00 175.10 174.97 1w3p s TYR 70 N -0.92 -0.10 0.00 2.82 -0.85 -1.09 -1.28 117.35 115.94 1w3p s TYR 70 Ca 0.15 -0.26 0.06 0.00 -0.52 0.00 0.00 57.07 56.50 1w3p s TYR 70 Cb -0.11 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.64 1w3p s TYR 70 CO 0.05 -0.96 -0.18 -3.38 -1.52 0.00 0.00 175.55 169.56 1w3p s HIS 71 N -3.89 1.61 -0.28 -3.49 -3.43 -1.26 -0.71 115.29 103.85 1w3p s HIS 71 Ca 0.10 -0.32 -0.24 0.00 -0.80 0.00 0.00 55.06 53.80 1w3p s HIS 71 Cb -0.02 -1.01 0.10 0.00 -1.43 0.00 0.00 32.58 30.22 1w3p s HIS 71 CO -0.01 0.00 0.91 -0.08 -2.00 0.00 0.00 174.74 173.56 1w3p s THR 72 N -0.53 0.00 -1.78 -5.38 -1.32 -0.63 -4.88 115.64 101.11 1w3p s THR 72 Ca 0.07 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.76 1w3p s THR 72 Cb -0.07 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.55 1w3p s THR 72 CO -0.00 0.00 1.53 0.59 -2.21 0.00 0.00 174.62 174.53 1w3p n ASN 73 N 2.60 3.99 -4.71 8.08 4.13 -1.26 -4.40 115.26 123.69 1w3p n ASN 73 Ca -0.14 -2.06 -0.42 0.00 1.68 0.00 0.00 54.58 53.64 1w3p n ASN 73 Cb 0.56 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 38.29 1w3p n ASN 73 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1w3p s VAL 74 N -1.11 3.30 0.25 2.41 1.01 -1.26 -5.02 120.40 119.99 1w3p s VAL 74 Ca 0.47 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 63.33 1w3p s VAL 74 Cb 0.25 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1w3p s VAL 74 CO 0.31 0.06 0.27 0.68 0.00 0.00 0.00 175.10 176.42 1w3p s VAL 75 N 1.35 0.00 0.00 2.92 -7.23 -1.26 -5.17 120.40 111.02 1w3p s VAL 75 Ca 0.65 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1w3p s VAL 75 Cb -0.37 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1w3p s VAL 75 CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1w3p n GLY 76 N -0.39 3.68 0.00 2.32 0.00 -1.26 -5.12 105.19 104.43 1w3p n GLY 76 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1w3p n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1w3p n ARG 77 N 0.00 0.00 -4.95 1.61 3.00 -1.26 -4.99 116.66 110.07 1w3p n ARG 77 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1w3p n ARG 77 Cb 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 32.46 32.06 1w3p n ARG 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1w3p s LEU 78 N -1.37 2.63 0.56 6.15 1.43 -1.26 -5.04 118.68 121.79 1w3p s LEU 78 Ca 0.00 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 1w3p s LEU 78 Cb 0.00 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1w3p s LEU 78 CO 0.00 0.34 1.13 -0.13 0.23 0.00 0.00 176.35 177.91 1w3p s ARG 79 N -0.68 3.25 -1.25 1.70 0.52 -1.26 -0.21 118.95 121.01 1w3p s ARG 79 Ca 0.11 1.57 -0.07 0.00 -0.52 0.00 0.00 55.73 56.81 1w3p s ARG 79 Cb -0.11 -1.99 0.18 0.00 0.52 0.00 0.00 34.95 33.55 1w3p s ARG 79 CO 0.00 -0.92 1.94 0.00 0.02 0.00 0.00 175.30 176.34 1w3p n ALA 80 N -1.51 5.71 -3.63 2.13 0.00 -0.64 -4.55 120.51 118.02 1w3p n ALA 80 Ca 0.11 -4.34 -0.08 0.00 0.00 0.00 0.00 53.44 49.13 1w3p n ALA 80 Cb 0.51 -2.82 -0.07 0.00 0.00 0.00 0.00 19.45 17.08 1w3p n ALA 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1w3p s ASN 81 N 0.28 -0.37 -0.24 0.00 3.84 -1.26 -4.89 114.94 112.29 1w3p s ASN 81 Ca 0.42 0.67 -0.11 0.00 0.21 0.00 0.00 52.86 54.05 1w3p s ASN 81 Cb 0.11 0.67 -0.05 0.00 -0.55 0.00 0.00 41.25 41.43 1w3p s ASN 81 CO -0.01 -0.16 0.21 0.00 -2.79 0.00 0.00 177.10 174.35 1w3p s ALA 82 N -0.02 3.59 0.00 1.71 0.00 -1.26 -5.03 121.76 120.75 1w3p s ALA 82 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1w3p s ALA 82 Cb -0.04 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1w3p s ALA 82 CO -0.06 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1w3p n GLY 83 N 4.41 2.66 0.15 0.00 0.00 -1.26 -4.83 105.19 106.32 1w3p n GLY 83 Ca -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1w3p n GLY 83 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1w3p h GLN 84 N 0.00 0.00 -6.31 1.61 4.20 -1.97 -3.45 115.11 109.20 1w3p h GLN 84 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 1w3p h GLN 84 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1w3p h GLN 84 CO 0.00 0.52 -0.33 0.20 -0.67 0.00 0.00 178.83 178.55 1w3p s GLY 85 N -4.45 1.97 0.01 3.46 0.00 -1.26 -4.57 107.32 102.48 1w3p s GLY 85 Ca 0.01 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.02 1w3p s GLY 85 CO 0.73 -1.56 -0.04 -2.38 0.00 0.00 0.00 173.10 169.84 1w3p s HIS 86 N -2.37 0.37 0.30 1.90 -3.43 0.93 -4.82 115.29 108.17 1w3p s HIS 86 Ca 0.50 -0.26 -0.30 0.00 -0.80 0.00 0.00 55.06 54.21 1w3p s HIS 86 Cb -0.07 -0.24 -0.12 0.00 -1.43 0.00 0.00 32.58 30.72 1w3p s HIS 86 CO 0.30 -0.06 1.52 -2.30 -2.00 0.00 0.00 174.74 172.21 1w3p n PRO 87 N 2.35 2.52 -3.90 -0.38 -0.02 -1.26 0.71 135.00 135.01 1w3p n PRO 87 Ca -0.17 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1w3p n PRO 87 Cb 0.57 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 1w3p n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w3p s ALA 88 N -0.23 -0.07 -0.10 3.55 0.00 0.02 -4.53 121.76 120.40 1w3p s ALA 88 Ca 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1w3p s ALA 88 Cb -0.53 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1w3p s ALA 88 CO 0.52 -0.11 -0.10 0.99 0.00 0.00 0.00 175.76 177.06 1w3p s THR 89 N -0.77 3.37 -0.04 0.00 2.01 -0.86 -1.50 115.64 117.86 1w3p s THR 89 Ca -0.08 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1w3p s THR 89 Cb -0.05 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 1w3p s THR 89 CO -0.00 0.55 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.12 1w3p s LEU 90 N -0.16 1.88 -0.05 4.42 0.20 -0.06 -0.43 118.68 124.47 1w3p s LEU 90 Ca 0.01 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.58 1w3p s LEU 90 Cb -0.13 -0.81 -0.00 0.00 -0.43 0.00 0.00 46.19 44.81 1w3p s LEU 90 CO 0.03 0.12 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.33 1w3p s GLU 91 N 0.07 2.02 -0.05 1.98 -6.30 0.50 0.22 118.70 117.14 1w3p s GLU 91 Ca -0.03 -0.65 0.03 0.00 -2.50 0.00 0.00 54.97 51.82 1w3p s GLU 91 Cb -0.10 -1.70 0.01 0.00 0.00 0.00 0.00 34.13 32.34 1w3p s GLU 91 CO 0.01 0.22 -0.12 0.08 0.02 0.00 0.00 175.26 175.48 1w3p s VAL 92 N 0.14 1.04 0.04 3.70 1.01 -0.72 -1.35 120.40 124.27 1w3p s VAL 92 Ca -0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1w3p s VAL 92 Cb -0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1w3p s VAL 92 CO 0.03 0.32 0.03 -0.94 0.00 0.00 0.00 175.10 174.55 1w3p s SER 93 N 0.41 0.29 -0.25 3.32 1.04 -1.26 -0.58 113.70 116.67 1w3p s SER 93 Ca -0.09 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 55.62 1w3p s SER 93 Cb -0.13 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1w3p s SER 93 CO 0.02 -0.50 -0.01 -1.61 0.98 0.00 0.00 173.24 172.12 1w3p s GLU 94 N -2.86 3.12 -0.22 4.02 2.02 0.31 -4.98 118.70 120.12 1w3p s GLU 94 Ca -0.03 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 1w3p s GLU 94 Cb 0.00 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 1w3p s GLU 94 CO -0.06 -0.34 0.03 0.42 0.02 0.00 0.00 175.26 175.33 1w3p s ILE 95 N 1.44 4.11 0.00 -1.63 -1.09 -1.26 -0.73 121.20 122.04 1w3p s ILE 95 Ca 0.03 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1w3p s ILE 95 Cb -0.16 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1w3p s ILE 95 CO -0.02 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1w3p n GLY 96 N 4.50 1.13 3.91 6.18 0.00 0.46 -4.99 105.19 116.38 1w3p n GLY 96 Ca -0.17 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1w3p n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w3p s GLN 97 N 4.08 3.53 0.27 1.61 -1.52 -1.26 -4.66 119.66 121.71 1w3p s GLN 97 Ca 0.00 -0.27 -0.29 0.00 -1.95 0.00 0.00 55.36 52.85 1w3p s GLN 97 Cb 0.00 -2.92 -0.10 0.00 -0.22 0.00 0.00 33.01 29.77 1w3p s GLN 97 CO 0.00 0.51 1.30 -0.06 -0.25 0.00 0.00 175.29 176.79 1w3p s PHE 98 N -1.63 3.18 -0.34 0.91 0.08 -1.26 -1.41 117.98 117.51 1w3p s PHE 98 Ca 0.38 1.34 -0.06 0.00 0.12 0.00 0.00 56.93 58.71 1w3p s PHE 98 Cb -0.12 -3.62 0.04 0.00 -0.57 0.00 0.00 43.02 38.75 1w3p s PHE 98 CO 0.27 -1.80 0.11 -0.51 -0.10 0.00 0.00 175.22 173.19 1w3p s LEU 99 N -1.03 4.35 0.59 -0.37 1.43 0.18 -4.95 118.68 118.87 1w3p s LEU 99 Ca 0.52 -1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1w3p s LEU 99 Cb -0.38 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1w3p s LEU 99 CO 0.45 -0.34 1.06 -2.16 0.23 0.00 0.00 176.35 175.60 1w3p s PRO 100 N 1.39 3.31 0.11 1.29 0.04 -1.26 -2.94 135.00 136.94 1w3p s PRO 100 Ca -0.01 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 1w3p s PRO 100 Cb -0.20 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1w3p s PRO 100 CO 0.02 -0.82 0.35 0.45 0.04 0.00 0.00 177.00 177.04 1w3p s SER 101 N -2.71 -0.16 0.00 6.66 0.15 -1.26 -4.32 113.70 112.07 1w3p s SER 101 Ca 0.64 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 57.17 1w3p s SER 101 Cb -0.17 0.44 0.91 0.00 -1.71 0.00 0.00 66.02 65.49 1w3p s SER 101 CO 0.36 -0.81 1.65 -0.46 1.20 0.00 0.00 173.24 175.18 1w3p n ASN 102 N -0.14 1.59 -4.26 5.45 6.94 -1.26 -4.70 115.26 118.87 1w3p n ASN 102 Ca -0.16 -1.60 -0.35 0.00 -0.02 0.00 0.00 54.58 52.45 1w3p n ASN 102 Cb 0.63 -0.05 -0.14 0.00 -2.36 0.00 0.00 39.78 37.86 1w3p n ASN 102 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1w3p s SER 103 N -1.79 4.36 0.31 0.53 0.15 -1.26 -4.75 113.70 111.24 1w3p s SER 103 Ca 0.35 -0.64 0.02 0.00 0.70 0.00 0.00 55.95 56.38 1w3p s SER 103 Cb 0.19 -1.72 0.50 0.00 -1.71 0.00 0.00 66.02 63.29 1w3p s SER 103 CO 0.30 -0.09 1.83 1.55 1.20 0.00 0.00 173.24 178.04 1w3p h PRO 104 N 8.08 0.63 -0.06 5.44 0.13 -1.97 -0.75 132.00 143.50 1w3p h PRO 104 Ca -0.37 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1w3p h PRO 104 Cb 1.13 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1w3p h PRO 104 CO 0.59 0.65 0.00 1.28 -0.23 0.00 0.00 178.00 180.29 1w3p n LEU 105 N -4.26 0.86 -0.12 1.56 7.99 -1.26 -2.83 117.00 118.95 1w3p n LEU 105 Ca 0.02 -0.34 0.11 0.00 -0.01 0.00 0.00 56.01 55.80 1w3p n LEU 105 Cb 0.26 -0.04 0.09 0.00 -0.11 0.00 0.00 43.42 43.63 1w3p n LEU 105 CO 0.40 0.17 0.28 -0.62 -1.51 0.00 0.00 177.39 176.10 1w3p n GLU 106 N -0.25 0.33 -1.64 3.23 -0.58 -0.30 -4.91 120.64 116.51 1w3p n GLU 106 Ca 0.17 -0.24 -0.48 0.00 -0.42 0.00 0.00 57.16 56.19 1w3p n GLU 106 Cb 0.22 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.54 1w3p n GLU 106 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1w3p n LEU 107 N -1.13 2.59 0.00 -4.62 4.77 -1.13 -4.68 117.00 112.80 1w3p n LEU 107 Ca 0.07 1.09 -0.10 0.00 -0.03 0.00 0.00 56.01 57.03 1w3p n LEU 107 Cb 0.36 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1w3p n LEU 107 CO 0.35 -0.55 0.27 -1.54 -1.33 0.00 0.00 177.39 174.59 1w3p n SER 108 N 3.27 -1.47 -4.06 -1.43 3.41 -1.15 -5.02 113.62 107.16 1w3p n SER 108 Ca 0.18 -2.50 -0.21 0.00 -0.26 0.00 0.00 58.87 56.08 1w3p n SER 108 Cb 0.25 2.58 -0.15 0.00 -0.26 0.00 0.00 64.21 66.63 1w3p n SER 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1w3p s VAL 109 N -2.55 0.95 0.22 -3.33 0.11 -1.26 0.48 120.40 115.01 1w3p s VAL 109 Ca 0.20 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 1w3p s VAL 109 Cb -0.02 -0.80 -0.10 0.00 -1.53 0.00 0.00 36.38 33.93 1w3p s VAL 109 CO 0.15 0.27 1.41 -1.10 -3.33 0.00 0.00 175.10 172.50 1w3p s GLN 110 N -0.19 4.30 0.02 1.54 -0.21 -0.50 -4.93 119.66 119.70 1w3p s GLN 110 Ca 0.03 2.22 -0.21 0.00 0.02 0.00 0.00 55.36 57.42 1w3p s GLN 110 Cb -0.06 -3.15 0.04 0.00 1.00 0.00 0.00 33.01 30.85 1w3p s GLN 110 CO -0.00 -0.39 0.46 1.52 -2.12 0.00 0.00 175.29 174.76 1w3p s TYR 111 N 0.20 -0.35 -0.04 0.91 -0.85 -0.10 -0.40 117.35 116.71 1w3p s TYR 111 Ca 0.60 0.42 0.03 0.00 -0.52 0.00 0.00 57.07 57.60 1w3p s TYR 111 Cb -0.40 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.21 1w3p s TYR 111 CO 0.40 -0.57 -0.12 1.03 -1.52 0.00 0.00 175.55 174.77 1w3p s ARG 112 N -2.13 1.41 -0.12 -3.49 0.52 0.10 -1.51 118.95 113.72 1w3p s ARG 112 Ca -0.07 -0.40 -0.08 0.00 -0.52 0.00 0.00 55.73 54.66 1w3p s ARG 112 Cb -0.01 -1.23 0.04 0.00 0.52 0.00 0.00 34.95 34.27 1w3p s ARG 112 CO 0.00 0.10 0.30 0.45 0.02 0.00 0.00 175.30 176.17 1w3p s SER 113 N 0.37 -0.34 -0.06 0.23 0.15 0.53 -0.53 113.70 114.05 1w3p s SER 113 Ca -0.08 0.63 0.04 0.00 0.70 0.00 0.00 55.95 57.25 1w3p s SER 113 Cb -0.12 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1w3p s SER 113 CO 0.02 -0.15 -0.19 -0.69 1.20 0.00 0.00 173.24 173.43 1w3p s VAL 114 N 0.99 2.66 -0.14 4.45 1.01 0.25 -0.94 120.40 128.68 1w3p s VAL 114 Ca -0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1w3p s VAL 114 Cb -0.08 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1w3p s VAL 114 CO -0.07 0.57 -0.08 -0.04 0.00 0.00 0.00 175.10 175.49 1w3p s MET 115 N -0.41 3.55 -0.10 2.72 -1.94 -0.89 -1.75 119.30 120.47 1w3p s MET 115 Ca 0.04 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1w3p s MET 115 Cb -0.12 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1w3p s MET 115 CO 0.02 0.23 -0.12 0.08 -0.01 0.00 0.00 175.02 175.22 1w3p s VAL 116 N 0.35 3.20 -0.14 -6.03 1.01 0.13 -0.33 120.40 118.60 1w3p s VAL 116 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1w3p s VAL 116 Cb -0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 1w3p s VAL 116 CO 0.04 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.17 1w3p s PHE 117 N -0.16 2.73 0.00 5.22 0.08 0.09 -0.89 117.98 125.06 1w3p s PHE 117 Ca -0.00 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1w3p s PHE 117 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1w3p s PHE 117 CO 0.03 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.16 1w3p n GLY 118 N 3.80 1.93 3.17 4.36 0.00 -0.56 -0.31 105.19 117.57 1w3p n GLY 118 Ca -0.19 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1w3p n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w3p s THR 119 N -2.63 2.14 -0.04 2.61 2.01 -0.87 -0.80 115.64 118.05 1w3p s THR 119 Ca 0.00 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 1w3p s THR 119 Cb 0.00 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1w3p s THR 119 CO 0.00 0.54 0.31 0.00 -0.69 0.00 0.00 174.62 174.78 1w3p s ALA 120 N 0.94 3.76 0.02 7.40 0.00 0.22 -0.87 121.76 133.23 1w3p s ALA 120 Ca -0.04 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1w3p s ALA 120 Cb -0.15 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 1w3p s ALA 120 CO -0.05 0.53 -0.04 -0.98 0.00 0.00 0.00 175.76 175.23 1w3p s ARG 121 N -1.08 0.30 0.17 0.00 1.70 -0.46 -0.05 118.95 119.54 1w3p s ARG 121 Ca 0.21 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 1w3p s ARG 121 Cb -0.15 -0.08 -0.08 0.00 -0.57 0.00 0.00 34.95 34.07 1w3p s ARG 121 CO 0.10 0.01 1.19 0.54 -1.08 0.00 0.00 175.30 176.06 1w3p s VAL 122 N -0.89 3.64 0.27 4.99 0.11 -1.26 -1.00 120.40 126.26 1w3p s VAL 122 Ca -0.08 1.37 0.01 0.00 -2.93 0.00 0.00 61.98 60.34 1w3p s VAL 122 Cb -0.06 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 1w3p s VAL 122 CO -0.00 0.21 0.45 -0.76 -3.33 0.00 0.00 175.10 171.67 1w3p s LEU 123 N -0.15 4.16 0.10 2.54 1.43 0.96 -4.92 118.68 122.80 1w3p s LEU 123 Ca 0.53 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 1w3p s LEU 123 Cb -0.32 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1w3p s LEU 123 CO 0.36 -0.15 -0.10 0.00 0.23 0.00 0.00 176.35 176.69 1w3p s ALA 124 N -2.07 1.14 0.00 4.21 0.00 -1.26 -4.64 121.76 119.14 1w3p s ALA 124 Ca 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1w3p s ALA 124 Cb -0.10 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1w3p s ALA 124 CO 0.32 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1w3p n GLY 125 N 0.41 3.32 0.20 0.00 0.00 -1.26 -2.30 105.19 105.56 1w3p n GLY 125 Ca -0.15 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1w3p n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w3p h GLU 126 N 0.00 0.00 -0.43 1.61 4.39 -1.98 0.39 114.58 118.56 1w3p h GLU 126 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1w3p h GLU 126 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1w3p h GLU 126 CO 0.00 0.31 0.26 -0.44 -1.16 0.00 0.00 179.01 177.98 1w3p h ASP 127 N 0.00 0.42 -0.15 1.42 3.32 -1.87 0.73 116.42 120.28 1w3p h ASP 127 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1w3p h ASP 127 Cb 0.66 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1w3p h ASP 127 CO 0.04 0.30 -0.05 0.00 -1.72 0.00 0.00 179.24 177.81 1w3p h ALA 128 N 1.19 0.21 -0.50 3.45 0.00 -1.06 -1.78 119.26 120.77 1w3p h ALA 128 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1w3p h ALA 128 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1w3p h ALA 128 CO -0.08 -0.02 0.27 -0.09 0.00 0.00 0.00 179.25 179.33 1w3p h ARG 129 N -0.01 0.51 -0.61 0.00 2.43 -0.84 -0.63 114.38 115.23 1w3p h ARG 129 Ca 0.04 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1w3p h ARG 129 Cb 0.49 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1w3p h ARG 129 CO 0.02 0.34 0.10 0.00 -1.51 0.00 0.00 179.97 178.91 1w3p h ALA 130 N 1.25 1.01 -0.33 2.80 0.00 -0.80 -0.42 119.26 122.77 1w3p h ALA 130 Ca 0.21 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1w3p h ALA 130 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1w3p h ALA 130 CO -0.13 0.63 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 1w3p h ALA 131 N 1.16 0.45 -0.58 0.00 0.00 -0.95 -1.17 119.26 118.16 1w3p h ALA 131 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1w3p h ALA 131 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1w3p h ALA 131 CO 0.01 0.34 0.12 -0.07 0.00 0.00 0.00 179.25 179.64 1w3p h LEU 132 N 0.43 0.87 0.06 0.00 3.38 -0.98 -0.31 115.31 118.77 1w3p h LEU 132 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1w3p h LEU 132 Cb 0.64 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1w3p h LEU 132 CO 0.04 0.86 -0.03 0.74 0.09 0.00 0.00 178.44 180.14 1w3p h THR 133 N 0.87 1.02 -0.61 0.22 2.02 -0.94 -0.15 112.91 115.35 1w3p h THR 133 Ca 0.18 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1w3p h THR 133 Cb 0.35 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1w3p h THR 133 CO 0.00 0.07 0.30 0.74 0.37 0.00 0.00 175.52 177.01 1w3p h THR 134 N -0.22 0.90 0.85 3.16 2.02 -1.06 -0.00 112.91 118.56 1w3p h THR 134 Ca -0.01 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1w3p h THR 134 Cb 0.19 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1w3p h THR 134 CO 0.01 0.10 -0.46 0.25 0.37 0.00 0.00 175.52 175.80 1w3p h LEU 135 N 0.55 -1.12 -0.55 2.58 5.85 -0.97 -1.00 115.31 120.66 1w3p h LEU 135 Ca 0.29 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1w3p h LEU 135 Cb 0.25 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 1w3p h LEU 135 CO -0.22 -0.74 -0.25 0.28 -0.34 0.00 0.00 178.44 177.17 1w3p h SER 136 N -1.21 -0.88 1.28 1.25 0.02 -0.91 -1.68 113.55 111.42 1w3p h SER 136 Ca -0.12 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1w3p h SER 136 Cb 0.94 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 1w3p h SER 136 CO 0.16 -0.27 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.23 1w3p h GLU 137 N -0.12 0.00 -0.00 3.45 5.08 -0.93 -1.21 114.58 120.86 1w3p h GLU 137 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1w3p h GLU 137 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1w3p h GLU 137 CO -0.62 0.03 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.22 1w3p h ARG 138 N 0.00 0.07 0.00 2.33 9.65 -0.72 -3.33 114.38 122.37 1w3p h ARG 138 Ca -0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1w3p h ARG 138 Cb 0.67 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1w3p h ARG 138 CO 0.00 0.85 -0.41 -0.39 2.80 0.00 0.00 179.97 182.83 1w3p h VAL 139 N -0.67 0.00 -3.11 0.20 -1.51 -1.24 -3.36 116.25 106.56 1w3p h VAL 139 Ca -0.01 -0.50 -0.62 0.00 -1.23 0.00 0.00 66.70 64.33 1w3p h VAL 139 Cb 0.89 1.23 -0.42 0.00 -2.13 0.00 0.00 31.29 30.86 1w3p h VAL 139 CO 0.02 0.00 -0.59 -0.36 -1.23 0.00 0.00 177.57 175.42 1w3p s PHE 140 N -3.15 3.49 0.16 5.19 0.08 -0.46 -5.09 117.98 118.19 1w3p s PHE 140 Ca 0.08 -3.31 -0.31 0.00 0.12 0.00 0.00 56.93 53.50 1w3p s PHE 140 Cb 0.13 -2.69 -0.11 0.00 -0.57 0.00 0.00 43.02 39.78 1w3p s PHE 140 CO 0.68 -0.57 1.70 -2.14 -0.10 0.00 0.00 175.22 174.79 1w3p s PRO 141 N -1.30 4.16 0.00 0.24 0.02 -1.25 -1.22 135.00 135.65 1w3p s PRO 141 Ca 0.24 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1w3p s PRO 141 Cb -0.07 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1w3p s PRO 141 CO -0.15 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 1w3p n GLY 142 N 3.98 2.69 3.76 0.52 0.00 -1.26 -5.05 105.19 109.84 1w3p n GLY 142 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1w3p n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w3p s LEU 143 N 0.00 4.49 -0.13 0.99 0.20 -0.36 -5.00 118.68 118.88 1w3p s LEU 143 Ca 0.00 2.12 -0.01 0.00 0.69 0.00 0.00 54.13 56.93 1w3p s LEU 143 Cb 0.00 -3.75 0.04 0.00 -0.43 0.00 0.00 46.19 42.05 1w3p s LEU 143 CO 0.00 -0.12 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.38 1w3p s LYS 144 N -1.60 1.02 0.25 1.98 -0.14 -1.26 -4.63 119.74 115.36 1w3p s LYS 144 Ca 0.46 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.53 1w3p s LYS 144 Cb -0.28 -1.61 -0.10 0.00 -1.68 0.00 0.00 37.83 34.16 1w3p s LYS 144 CO 0.35 -0.40 1.45 0.08 -0.76 0.00 0.00 175.35 176.07 1w3p s VAL 145 N 1.80 2.64 0.00 3.17 1.01 -1.26 -0.57 120.40 127.19 1w3p s VAL 145 Ca 0.03 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1w3p s VAL 145 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1w3p s VAL 145 CO -0.07 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1w3p n GLY 146 N 2.24 3.08 0.67 4.51 0.00 -0.18 -4.81 105.19 110.70 1w3p n GLY 146 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1w3p n GLY 146 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w3p n GLU 147 N -2.00 0.00 -0.28 1.61 2.13 -0.62 -4.73 120.64 116.74 1w3p n GLU 147 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1w3p n GLU 147 Cb 0.00 -0.07 0.14 0.00 0.27 0.00 0.00 31.44 31.79 1w3p n GLU 147 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1w3p h THR 148 N 0.00 0.97 -2.16 6.31 2.02 -1.15 -3.43 112.91 115.48 1w3p h THR 148 Ca 0.00 -0.29 -0.56 0.00 0.77 0.00 0.00 66.41 66.33 1w3p h THR 148 Cb 0.00 0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 66.38 1w3p h THR 148 CO 0.00 0.15 -0.64 0.42 0.37 0.00 0.00 175.52 175.82 1w3p s THR 149 N -6.06 3.29 0.76 3.16 -4.23 -1.20 -5.01 115.64 106.36 1w3p s THR 149 Ca -0.13 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.31 1w3p s THR 149 Cb 0.18 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 71.26 1w3p s THR 149 CO 0.78 -0.35 1.20 0.00 -0.54 0.00 0.00 174.62 175.71 1w3p s ARG 150 N -3.68 1.94 0.68 3.99 1.70 -1.26 -1.01 118.95 121.32 1w3p s ARG 150 Ca 0.32 1.72 -0.17 0.00 -0.47 0.00 0.00 55.73 57.13 1w3p s ARG 150 Cb -0.06 -1.81 0.01 0.00 -0.57 0.00 0.00 34.95 32.52 1w3p s ARG 150 CO 0.20 -1.98 1.22 -2.30 -1.08 0.00 0.00 175.30 171.36 1w3p n PRO 151 N -3.00 0.86 -1.95 3.89 -0.02 -1.26 -3.88 135.00 129.64 1w3p n PRO 151 Ca 0.13 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1w3p n PRO 151 Cb 0.50 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1w3p n PRO 151 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1w3p s ILE 152 N -1.58 3.48 0.55 4.25 1.01 -1.26 -4.96 121.20 122.69 1w3p s ILE 152 Ca 0.80 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.99 1w3p s ILE 152 Cb -0.36 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1w3p s ILE 152 CO 0.44 -0.11 0.81 -0.94 0.00 0.00 0.00 174.94 175.13 1w3p s SER 153 N 4.19 5.47 0.24 3.58 1.04 -1.26 -4.96 113.70 122.00 1w3p s SER 153 Ca 0.77 0.34 -0.05 0.00 0.48 0.00 0.00 55.95 57.50 1w3p s SER 153 Cb -0.32 -1.34 0.33 0.00 0.10 0.00 0.00 66.02 64.79 1w3p s SER 153 CO 0.32 -1.05 1.86 -0.33 0.98 0.00 0.00 173.24 175.02 1w3p h GLU 154 N 0.01 0.99 -0.69 4.02 4.39 -2.00 -1.88 114.58 119.43 1w3p h GLU 154 Ca -0.45 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.24 1w3p h GLU 154 Cb 1.27 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1w3p h GLU 154 CO 0.57 0.66 0.41 0.22 -1.16 0.00 0.00 179.01 179.71 1w3p h ASP 155 N 1.02 0.64 -0.41 1.42 1.82 -1.99 -1.59 116.42 117.33 1w3p h ASP 155 Ca 0.38 0.02 0.07 0.00 -0.39 0.00 0.00 57.03 57.10 1w3p h ASP 155 Cb 0.14 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 39.98 1w3p h ASP 155 CO -0.16 0.43 0.07 0.44 -1.61 0.00 0.00 179.24 178.40 1w3p h ASP 156 N 0.77 -0.02 0.11 2.28 3.32 -1.74 -2.04 116.42 119.10 1w3p h ASP 156 Ca 0.29 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 1w3p h ASP 156 Cb 0.11 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1w3p h ASP 156 CO -0.15 0.02 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.05 1w3p h LEU 157 N 0.19 0.27 -1.40 1.55 3.38 -0.83 -2.30 115.31 116.17 1w3p h LEU 157 Ca 0.20 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1w3p h LEU 157 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1w3p h LEU 157 CO -0.27 0.55 -0.29 0.11 0.09 0.00 0.00 178.44 178.62 1w3p h LYS 158 N 0.24 0.00 -0.05 1.13 1.57 -0.61 -2.88 116.57 115.97 1w3p h LYS 158 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1w3p h LYS 158 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1w3p h LYS 158 CO 0.04 0.29 0.00 0.54 -0.57 0.00 0.00 179.45 179.76 1w3p n ARG 159 N -3.89 1.97 -4.31 3.15 1.74 -0.88 -4.93 116.66 109.52 1w3p n ARG 159 Ca -0.02 -1.42 -0.19 0.00 -0.77 0.00 0.00 57.85 55.45 1w3p n ARG 159 Cb 0.37 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 1w3p n ARG 159 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1w3p s THR 160 N -1.96 0.67 -0.39 0.55 2.01 -1.09 -5.02 115.64 110.41 1w3p s THR 160 Ca 0.34 -0.30 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 1w3p s THR 160 Cb 0.20 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1w3p s THR 160 CO 0.32 0.22 0.28 -0.44 -0.69 0.00 0.00 174.62 174.30 1w3p s SER 161 N 0.21 6.09 -0.14 3.53 0.01 -1.26 -4.89 113.70 117.26 1w3p s SER 161 Ca -0.03 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 56.45 1w3p s SER 161 Cb -0.08 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1w3p s SER 161 CO 0.00 -0.39 -0.06 -0.69 0.41 0.00 0.00 173.24 172.52 1w3p s VAL 162 N 1.69 3.70 0.12 3.43 1.01 -1.26 -1.60 120.40 127.49 1w3p s VAL 162 Ca 0.05 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 61.71 1w3p s VAL 162 Cb -0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1w3p s VAL 162 CO 0.10 0.52 -0.27 -0.31 0.00 0.00 0.00 175.10 175.14 1w3p s TYR 163 N 0.18 2.31 -0.20 5.22 2.02 0.12 -0.03 117.35 126.97 1w3p s TYR 163 Ca -0.03 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1w3p s TYR 163 Cb -0.14 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 1w3p s TYR 163 CO 0.03 0.32 -0.13 0.45 -1.57 0.00 0.00 175.55 174.66 1w3p s SER 164 N -2.00 3.68 -0.49 2.29 0.15 -0.17 -2.67 113.70 114.49 1w3p s SER 164 Ca 0.14 -0.58 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 1w3p s SER 164 Cb -0.10 -1.59 0.10 0.00 -1.71 0.00 0.00 66.02 62.72 1w3p s SER 164 CO 0.06 -0.02 0.41 -0.22 1.20 0.00 0.00 173.24 174.67 1w3p s LEU 165 N 1.36 5.79 -0.13 3.45 0.20 0.28 -1.35 118.68 128.28 1w3p s LEU 165 Ca 0.05 -1.59 -0.29 0.00 0.69 0.00 0.00 54.13 52.98 1w3p s LEU 165 Cb -0.14 -2.15 -0.02 0.00 -0.43 0.00 0.00 46.19 43.45 1w3p s LEU 165 CO -0.09 -0.72 1.22 -0.55 -0.29 0.00 0.00 176.35 175.92 1w3p s SER 166 N 2.93 7.00 -0.03 3.68 0.15 -0.05 -1.07 113.70 126.31 1w3p s SER 166 Ca 0.04 1.71 -0.30 0.00 0.70 0.00 0.00 55.95 58.10 1w3p s SER 166 Cb -0.27 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.47 1w3p s SER 166 CO 0.04 -0.68 1.04 -0.63 1.20 0.00 0.00 173.24 174.22 1w3p s ILE 167 N 2.94 4.66 -0.26 6.45 1.01 -0.66 -2.06 121.20 133.28 1w3p s ILE 167 Ca 0.54 1.92 -0.13 0.00 0.00 0.00 0.00 60.65 62.98 1w3p s ILE 167 Cb -0.22 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 1w3p s ILE 167 CO 0.17 0.08 -0.20 0.47 0.00 0.00 0.00 174.94 175.46 1w3p n ASP 168 N 4.42 1.95 -3.92 3.58 8.00 0.58 -4.97 116.55 126.20 1w3p n ASP 168 Ca 0.08 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.76 1w3p n ASP 168 Cb 0.49 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 1w3p n ASP 168 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1w3p s ARG 169 N -2.49 1.12 0.15 -1.24 0.52 -0.90 -5.03 118.95 111.09 1w3p s ARG 169 Ca -0.36 -1.10 -0.13 0.00 -0.52 0.00 0.00 55.73 53.62 1w3p s ARG 169 Cb 0.12 0.39 0.01 0.00 0.52 0.00 0.00 34.95 35.99 1w3p s ARG 169 CO 0.54 -0.41 0.36 1.67 0.02 0.00 0.00 175.30 177.48 1w3p s TRP 170 N -3.94 0.09 0.02 -0.53 -2.14 -1.26 -0.73 118.94 110.45 1w3p s TRP 170 Ca 0.14 -0.45 0.02 0.00 2.66 0.00 0.00 56.10 58.47 1w3p s TRP 170 Cb 0.03 0.13 -0.02 0.00 -3.10 0.00 0.00 33.47 30.52 1w3p s TRP 170 CO -0.02 -0.75 -0.07 0.45 -2.66 0.00 0.00 176.95 173.90 1w3p s SER 171 N -2.89 0.79 -0.01 -2.66 0.15 0.55 -4.99 113.70 104.63 1w3p s SER 171 Ca 0.10 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1w3p s SER 171 Cb 0.02 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1w3p s SER 171 CO -0.05 -0.08 -0.05 -0.83 1.20 0.00 0.00 173.24 173.42 1w3p s GLY 172 N -0.96 0.29 -0.04 9.45 0.00 -1.26 -2.09 107.32 112.71 1w3p s GLY 172 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.45 1w3p s GLY 172 CO 0.00 -0.11 0.08 1.25 0.00 0.00 0.00 173.10 174.32 1w3p s LYS 173 N 0.02 0.04 -0.04 2.90 2.20 -0.11 -1.54 119.74 123.21 1w3p s LYS 173 Ca 0.00 0.21 -0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1w3p s LYS 173 Cb -0.04 -0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.17 1w3p s LYS 173 CO -0.00 -0.12 0.01 -2.00 -0.36 0.00 0.00 175.35 172.88 1w3p s GLU 174 N 0.78 0.31 -0.31 4.03 2.12 -0.45 -0.35 118.70 124.82 1w3p s GLU 174 Ca -0.06 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 1w3p s GLU 174 Cb -0.09 -0.55 0.10 0.00 0.26 0.00 0.00 34.13 33.86 1w3p s GLU 174 CO -0.03 -0.17 0.11 1.21 -0.54 0.00 0.00 175.26 175.84 1w3p s ASN 175 N 1.24 3.97 -0.46 -1.70 3.84 -0.57 -4.75 114.94 116.50 1w3p s ASN 175 Ca -0.07 -1.65 0.08 0.00 0.21 0.00 0.00 52.86 51.44 1w3p s ASN 175 Cb -0.13 -0.82 0.39 0.00 -0.55 0.00 0.00 41.25 40.13 1w3p s ASN 175 CO -0.02 -0.41 0.96 1.87 -2.79 0.00 0.00 177.10 176.70 1w3p n TRP 176 N 4.83 2.67 -1.73 0.43 -0.00 -1.26 -0.93 117.44 121.46 1w3p n TRP 176 Ca -0.02 -3.50 -0.33 0.00 -0.00 0.00 0.00 57.50 53.66 1w3p n TRP 176 Cb 0.42 -0.33 0.05 0.00 -0.00 0.00 0.00 31.31 31.44 1w3p n TRP 176 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1w3p s ALA 177 N -3.25 2.49 -0.10 5.87 0.00 -1.26 -4.96 121.76 120.55 1w3p s ALA 177 Ca 0.43 0.48 0.19 0.00 0.00 0.00 0.00 51.96 53.06 1w3p s ALA 177 Cb 0.36 -3.30 0.39 0.00 0.00 0.00 0.00 23.12 20.57 1w3p s ALA 177 CO -0.11 -1.27 1.60 1.49 0.00 0.00 0.00 175.76 177.46 1w3p h GLU 178 N -0.08 0.00 -3.01 0.00 4.81 -2.02 -3.46 114.58 110.82 1w3p h GLU 178 Ca -0.46 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 1w3p h GLU 178 Cb 1.24 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.37 1w3p h GLU 178 CO 0.54 0.34 -0.36 -1.14 -0.73 0.00 0.00 179.01 177.66 1w3p s GLN 179 N -3.23 0.35 0.68 1.92 0.74 -1.26 -5.08 119.66 113.79 1w3p s GLN 179 Ca 0.03 0.42 -0.14 0.00 0.05 0.00 0.00 55.36 55.72 1w3p s GLN 179 Cb 0.08 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1w3p s GLN 179 CO 0.70 -0.04 1.10 0.00 -0.55 0.00 0.00 175.29 176.50 1w3p s ALA 180 N 0.15 2.45 0.30 1.58 0.00 -1.26 -4.99 121.76 119.98 1w3p s ALA 180 Ca -0.00 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1w3p s ALA 180 Cb -0.02 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 1w3p s ALA 180 CO 0.00 -1.36 1.57 -0.89 0.00 0.00 0.00 175.76 175.09 1w3p n ILE 181 N -2.68 1.12 -4.19 0.00 5.41 -1.26 -4.96 119.36 112.80 1w3p n ILE 181 Ca 0.10 -0.28 -0.23 0.00 1.00 0.00 0.00 62.75 63.34 1w3p n ILE 181 Cb 0.52 -1.93 -0.06 0.00 -0.71 0.00 0.00 39.64 37.46 1w3p n ILE 181 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1w3p s GLN 182 N -0.66 2.41 -0.37 0.38 -1.52 -1.26 -4.67 119.66 113.97 1w3p s GLN 182 Ca 0.63 -1.42 -0.15 0.00 -1.95 0.00 0.00 55.36 52.47 1w3p s GLN 182 Cb -0.50 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.07 1w3p s GLN 182 CO 0.50 0.26 0.34 -2.00 -0.25 0.00 0.00 175.29 174.14 1w3p s GLU 183 N -3.77 3.32 0.47 2.91 2.56 -1.26 -4.95 118.70 117.98 1w3p s GLU 183 Ca 0.34 -0.67 0.19 0.00 0.00 0.00 0.00 54.97 54.83 1w3p s GLU 183 Cb -0.05 -3.88 1.14 0.00 2.00 0.00 0.00 34.13 33.34 1w3p s GLU 183 CO 0.22 -0.62 2.00 1.49 -0.56 0.00 0.00 175.26 177.78 1w3p h GLU 184 N 8.56 0.00 -0.76 4.30 4.57 -1.99 -3.09 114.58 126.18 1w3p h GLU 184 Ca -0.29 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1w3p h GLU 184 Cb 1.13 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 1w3p h GLU 184 CO 0.71 0.18 0.06 -0.25 -1.18 0.00 0.00 179.01 178.53 1w3p n ASP 185 N -4.02 4.10 -4.11 1.04 8.00 -1.26 -4.70 116.55 115.59 1w3p n ASP 185 Ca -0.02 -2.68 -0.16 0.00 0.71 0.00 0.00 54.79 52.63 1w3p n ASP 185 Cb 0.26 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.61 1w3p n ASP 185 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1w3p s TRP 186 N -2.19 0.96 -0.05 1.24 -0.11 -1.17 -5.08 118.94 112.55 1w3p s TRP 186 Ca 0.37 -0.45 -0.39 0.00 1.22 0.00 0.00 56.10 56.85 1w3p s TRP 186 Cb 0.28 -0.56 -0.17 0.00 -1.50 0.00 0.00 33.47 31.53 1w3p s TRP 186 CO 0.10 -0.01 1.40 -2.30 -4.62 0.00 0.00 176.95 171.52 1w3p n PRO 187 N 1.50 0.87 -1.69 5.86 -0.02 -1.26 -4.89 135.00 135.36 1w3p n PRO 187 Ca -0.21 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 1w3p n PRO 187 Cb 0.55 -1.93 0.07 0.00 -0.02 0.00 0.00 33.50 32.16 1w3p n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w3p s ALA 188 N 1.23 2.32 0.40 3.55 0.00 -1.26 -4.90 121.76 123.10 1w3p s ALA 188 Ca 0.90 1.04 -0.27 0.00 0.00 0.00 0.00 51.96 53.63 1w3p s ALA 188 Cb -1.07 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 18.45 1w3p s ALA 188 CO 0.55 -1.60 1.48 -0.51 0.00 0.00 0.00 175.76 175.69 1w3p s LEU 189 N -4.59 4.26 1.01 0.00 1.43 -1.26 -5.00 118.68 114.54 1w3p s LEU 189 Ca 0.78 3.04 -0.13 0.00 -1.03 0.00 0.00 54.13 56.80 1w3p s LEU 189 Cb -0.33 -3.73 0.20 0.00 0.03 0.00 0.00 46.19 42.36 1w3p s LEU 189 CO 0.40 -0.97 1.09 -0.83 0.23 0.00 0.00 176.35 176.28 1w3p s GLY 190 N -0.21 1.56 0.58 -3.19 0.00 -1.26 -4.87 107.32 99.93 1w3p s GLY 190 Ca 0.55 -0.40 0.27 0.00 0.00 0.00 0.00 44.72 45.14 1w3p s GLY 190 CO 0.62 0.23 2.20 -2.55 0.00 0.00 0.00 173.10 173.60 1w3p h PRO 191 N -1.94 0.00 -0.93 2.90 0.11 -1.98 -1.66 132.00 128.50 1w3p h PRO 191 Ca -0.55 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.78 1w3p h PRO 191 Cb 1.33 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.38 1w3p h PRO 191 CO 0.58 0.00 0.62 1.05 -0.21 0.00 0.00 178.00 180.04 1w3p h GLU 192 N 0.00 0.33 0.07 1.05 9.09 -1.96 -2.21 114.58 120.95 1w3p h GLU 192 Ca 0.03 -0.02 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 1w3p h GLU 192 Cb 0.13 -0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.13 1w3p h GLU 192 CO -0.00 0.22 -1.85 0.91 0.05 0.00 0.00 179.01 178.34 1w3p n TRP 193 N -4.49 0.99 0.73 2.06 7.02 -0.63 -4.54 117.44 118.58 1w3p n TRP 193 Ca 0.20 0.28 0.08 0.00 -1.02 0.00 0.00 57.50 57.04 1w3p n TRP 193 Cb 0.77 -1.12 -0.02 0.00 -2.42 0.00 0.00 31.31 28.52 1w3p n TRP 193 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1w3p n LEU 194 N -3.81 1.41 -0.10 -0.99 4.77 -1.21 -4.88 117.00 112.19 1w3p n LEU 194 Ca -0.35 -0.70 0.01 0.00 -0.03 0.00 0.00 56.01 54.95 1w3p n LEU 194 Cb 0.92 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.02 1w3p n LEU 194 CO 0.31 0.28 0.29 0.61 -1.33 0.00 0.00 177.39 177.55